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 3hz6_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLAFYIATFD IGTTEVKAAL ADRDGGLHFQ RSIALETYGD GNGPVEQDAG DATA SEQUENCE DWYDAVQRIA SSWWQSGVDA RRVSAIVLSG QXQNFLPLDQ DHEPLHRAVL DATA SEQUENCE YSDKRPLKEA EEINARHGAD NLWSALENPX TAASILPKLV FWRASFPQAF DATA SEQUENCE GRLRHVVLGA KDYVVLRLTG RHATDRTNAS TTGLYRPKDD AWHVELLADY DATA SEQUENCE GFSLDLXPRL LEPGEQVGGV SALAARQTGF VSGTPVLCGL GDAGAATLGV DATA SEQUENCE GVLDDEDAYL HLGTTGWLAR LTQTDPVGDX PVGTIFRLAG IIAGKTLQVA DATA SEQUENCE PVLNAGNILQ WALTLVGHRP GEDCAEYFHX AAAEVQGVTV PDGLLFVPYL DATA SEQUENCE HAERCPVELP APRGALLGVT GATTRAQILL AVLEGAALSL RWCAELLGXE DATA SEQUENCE KVGLLKVVGG GARSEAWLRX IADNLNVSLL VKPDAHLHPL RGLAALAAVE DATA SEQUENCE LEWSHSIQDF LREADLRXXX SNILHPQPCD EGRRRRKFER FKQCVETLGR 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.609 174.600 0.015 0.000 1.055 0 S CA 0.000 58.213 58.200 0.022 0.000 1.107 0 S CB 0.000 63.203 63.200 0.006 0.000 0.593 1 L N 0.923 122.171 121.223 0.041 0.000 2.350 1 L HA 0.881 5.173 4.340 -0.081 0.000 0.260 1 L C 0.367 177.200 176.870 -0.062 0.000 1.015 1 L CA -1.178 53.641 54.840 -0.035 0.000 0.821 1 L CB 2.027 44.032 42.059 -0.089 0.000 1.370 1 L HN 1.080 nan 8.230 nan 0.000 0.416 2 A N 1.040 123.748 122.820 -0.187 0.000 2.440 2 A HA 0.606 4.878 4.320 -0.081 0.000 0.251 2 A C -1.040 176.194 177.584 -0.585 0.000 1.089 2 A CA 0.248 52.077 52.037 -0.346 0.000 0.779 2 A CB -0.100 18.633 19.000 -0.445 0.000 1.022 2 A HN 0.402 nan 8.150 nan 0.000 0.492 3 F N 0.303 119.916 119.950 -0.563 0.000 2.538 3 F HA 0.689 5.168 4.527 -0.081 0.000 0.325 3 F C -0.415 175.162 175.800 -0.372 0.000 1.066 3 F CA -0.127 57.658 58.000 -0.358 0.000 0.946 3 F CB 1.822 40.798 39.000 -0.040 0.000 1.199 3 F HN 0.523 nan 8.300 nan 0.000 0.473 4 Y N 1.011 121.597 120.300 0.477 0.000 2.581 4 Y HA 0.634 5.135 4.550 -0.081 0.000 0.345 4 Y C -0.645 175.474 175.900 0.364 0.000 1.036 4 Y CA -1.277 57.071 58.100 0.415 0.000 1.042 4 Y CB 1.525 40.074 38.460 0.148 0.000 1.289 4 Y HN 0.256 nan 8.280 nan 0.000 0.471 5 I N 2.126 122.950 120.570 0.424 0.000 2.336 5 I HA 0.549 4.671 4.170 -0.081 0.000 0.292 5 I C -0.156 176.040 176.117 0.132 0.000 0.991 5 I CA -0.789 60.598 61.300 0.146 0.000 1.227 5 I CB 1.316 39.302 38.000 -0.024 0.000 1.366 5 I HN 0.724 nan 8.210 nan 0.000 0.466 6 A N 4.954 127.860 122.820 0.142 0.000 2.347 6 A HA 0.548 4.819 4.320 -0.081 0.000 0.287 6 A C 0.273 177.954 177.584 0.161 0.000 1.199 6 A CA -0.285 51.841 52.037 0.149 0.000 0.851 6 A CB -0.134 19.173 19.000 0.511 0.000 1.118 6 A HN 0.726 nan 8.150 nan 0.000 0.525 7 T N -0.065 114.501 114.554 0.019 0.000 2.855 7 T HA 0.790 5.091 4.350 -0.081 0.000 0.281 7 T C -0.661 173.968 174.700 -0.119 0.000 1.007 7 T CA -0.468 61.662 62.100 0.050 0.000 1.009 7 T CB 0.747 69.637 68.868 0.035 0.000 0.983 7 T HN 0.298 nan 8.240 nan 0.000 0.455 8 F N 0.677 120.708 119.950 0.134 0.000 2.588 8 F HA 0.554 5.033 4.527 -0.081 0.000 0.310 8 F C -0.481 175.349 175.800 0.049 0.000 1.082 8 F CA -0.965 57.101 58.000 0.110 0.000 0.929 8 F CB 2.429 41.488 39.000 0.098 0.000 1.254 8 F HN 0.661 nan 8.300 nan 0.000 0.455 9 D N 2.376 122.908 120.400 0.221 0.000 2.505 9 D HA 0.371 4.962 4.640 -0.081 0.000 0.250 9 D C -0.991 175.350 176.300 0.068 0.000 1.164 9 D CA -0.323 53.740 54.000 0.105 0.000 0.870 9 D CB 0.921 41.765 40.800 0.073 0.000 1.160 9 D HN 0.256 nan 8.370 nan 0.000 0.549 10 I N 4.109 124.664 120.570 -0.024 0.000 2.227 10 I HA 0.311 4.433 4.170 -0.081 0.000 0.297 10 I C 1.307 177.307 176.117 -0.194 0.000 1.173 10 I CA -0.202 61.008 61.300 -0.150 0.000 1.356 10 I CB -0.304 37.488 38.000 -0.346 0.000 1.485 10 I HN 0.358 nan 8.210 nan 0.000 0.604 11 G N 3.449 112.204 108.800 -0.076 0.000 2.563 11 G HA2 0.307 4.218 3.960 -0.081 0.000 0.283 11 G HA3 0.307 4.218 3.960 -0.081 0.000 0.283 11 G C 1.082 175.969 174.900 -0.020 0.000 1.309 11 G CA 0.240 45.314 45.100 -0.043 0.000 1.022 11 G HN 0.548 nan 8.290 nan 0.000 0.501 12 T N -3.659 110.911 114.554 0.027 0.000 2.904 12 T HA -0.096 4.206 4.350 -0.081 0.000 0.267 12 T C 1.912 176.671 174.700 0.098 0.000 1.059 12 T CA 2.053 64.206 62.100 0.088 0.000 1.137 12 T CB -0.276 68.677 68.868 0.141 0.000 0.879 12 T HN 0.705 nan 8.240 nan 0.000 0.467 13 T N -1.169 113.432 114.554 0.078 0.000 2.975 13 T HA 0.299 4.601 4.350 -0.081 0.000 0.261 13 T C 0.215 174.952 174.700 0.062 0.000 0.984 13 T CA -0.393 61.748 62.100 0.068 0.000 0.911 13 T CB 0.186 69.089 68.868 0.058 0.000 1.127 13 T HN 0.725 nan 8.240 nan 0.000 0.514 14 E N 0.251 120.490 120.200 0.065 0.000 2.423 14 E HA 0.523 4.825 4.350 -0.081 0.000 0.280 14 E C -1.916 174.727 176.600 0.070 0.000 1.030 14 E CA -1.051 55.388 56.400 0.065 0.000 0.812 14 E CB 1.750 31.477 29.700 0.046 0.000 1.313 14 E HN -0.019 nan 8.360 nan 0.000 0.456 15 V N 1.849 121.814 119.914 0.085 0.000 2.383 15 V HA 0.333 4.405 4.120 -0.081 0.000 0.275 15 V C -0.133 176.024 176.094 0.104 0.000 1.036 15 V CA -0.624 61.739 62.300 0.105 0.000 0.889 15 V CB 1.088 32.995 31.823 0.139 0.000 0.985 15 V HN 0.458 nan 8.190 nan 0.000 0.459 16 K N 3.351 123.819 120.400 0.114 0.000 2.156 16 K HA 0.927 5.199 4.320 -0.081 0.000 0.254 16 K C -0.341 176.309 176.600 0.083 0.000 0.950 16 K CA -0.388 55.958 56.287 0.099 0.000 0.849 16 K CB 2.361 34.932 32.500 0.117 0.000 1.100 16 K HN 0.798 nan 8.250 nan 0.000 0.434 17 A N 0.399 123.237 122.820 0.031 0.000 2.609 17 A HA 0.873 5.145 4.320 -0.081 0.000 0.291 17 A C -1.699 175.935 177.584 0.082 0.000 1.096 17 A CA -0.357 51.629 52.037 -0.086 0.000 0.684 17 A CB 1.808 20.557 19.000 -0.419 0.000 1.282 17 A HN 0.706 nan 8.150 nan 0.000 0.412 18 A N 0.031 122.910 122.820 0.098 0.000 2.608 18 A HA 0.686 4.957 4.320 -0.081 0.000 0.292 18 A C -1.809 175.736 177.584 -0.066 0.000 1.066 18 A CA -0.446 51.660 52.037 0.114 0.000 0.676 18 A CB 0.697 19.725 19.000 0.047 0.000 1.277 18 A HN 1.041 nan 8.150 nan 0.000 0.413 19 L N 1.563 122.652 121.223 -0.223 0.000 2.265 19 L HA 0.624 4.916 4.340 -0.081 0.000 0.289 19 L C 0.566 177.493 176.870 0.095 0.000 1.033 19 L CA -0.389 54.254 54.840 -0.327 0.000 0.814 19 L CB 1.526 43.048 42.059 -0.894 0.000 1.203 19 L HN 0.865 nan 8.230 nan 0.000 0.423 20 A N 2.571 125.534 122.820 0.238 0.000 2.290 20 A HA 0.542 4.813 4.320 -0.081 0.000 0.310 20 A C -0.551 177.397 177.584 0.606 0.000 1.202 20 A CA -0.683 51.571 52.037 0.363 0.000 0.837 20 A CB 0.558 19.728 19.000 0.283 0.000 1.139 20 A HN 0.744 nan 8.150 nan 0.000 0.509 21 D N 0.747 121.496 120.400 0.582 0.000 2.478 21 D HA 0.244 4.835 4.640 -0.081 0.000 0.263 21 D C 1.132 177.710 176.300 0.463 0.000 1.153 21 D CA -0.639 53.643 54.000 0.469 0.000 1.038 21 D CB 0.467 41.469 40.800 0.337 0.000 1.120 21 D HN 0.524 nan 8.370 nan 0.000 0.564 22 R N -0.714 119.865 120.500 0.131 0.000 2.237 22 R HA -0.027 4.265 4.340 -0.081 0.000 0.219 22 R C -0.124 176.262 176.300 0.145 0.000 1.080 22 R CA 0.870 57.110 56.100 0.233 0.000 0.995 22 R CB -0.354 29.762 30.300 -0.308 0.000 0.875 22 R HN 0.295 nan 8.270 nan 0.000 0.462 23 D N 0.288 120.701 120.400 0.021 0.000 2.339 23 D HA 0.103 4.695 4.640 -0.081 0.000 0.217 23 D C 0.913 177.082 176.300 -0.218 0.000 1.050 23 D CA 0.920 54.852 54.000 -0.114 0.000 0.856 23 D CB 0.876 41.648 40.800 -0.048 0.000 0.922 23 D HN 0.547 nan 8.370 nan 0.000 0.518 24 G N 0.637 109.343 108.800 -0.156 0.000 2.157 24 G HA2 -0.199 3.713 3.960 -0.081 0.000 0.248 24 G HA3 -0.199 3.713 3.960 -0.081 0.000 0.248 24 G C 0.748 175.658 174.900 0.017 0.000 0.979 24 G CA -0.078 44.955 45.100 -0.112 0.000 0.650 24 G HN 0.571 nan 8.290 nan 0.000 0.529 25 G N -0.386 108.431 108.800 0.028 0.000 2.483 25 G HA2 0.552 4.464 3.960 -0.081 0.000 0.248 25 G HA3 0.552 4.464 3.960 -0.081 0.000 0.248 25 G C 0.004 174.745 174.900 -0.264 0.000 1.248 25 G CA -0.472 44.541 45.100 -0.146 0.000 0.838 25 G HN 0.713 nan 8.290 nan 0.000 0.566 26 L N 3.373 124.357 121.223 -0.398 0.000 2.318 26 L HA 0.354 4.646 4.340 -0.081 0.000 0.277 26 L C -0.201 176.435 176.870 -0.390 0.000 1.008 26 L CA -0.835 53.853 54.840 -0.253 0.000 0.846 26 L CB 0.923 42.926 42.059 -0.093 0.000 1.220 26 L HN 0.518 nan 8.230 nan 0.000 0.423 27 H N 3.170 122.250 119.070 0.016 0.000 2.615 27 H HA 0.380 4.887 4.556 -0.080 0.000 0.346 27 H C -0.002 175.304 175.328 -0.036 0.000 1.200 27 H CA -0.869 55.122 56.048 -0.095 0.000 1.264 27 H CB 1.320 31.029 29.762 -0.087 0.000 1.699 27 H HN 0.421 nan 8.280 nan 0.000 0.567 28 F N -0.436 119.536 119.950 0.036 0.000 2.943 28 F HA -0.252 4.227 4.527 -0.081 0.000 0.258 28 F C 0.558 176.472 175.800 0.190 0.000 0.995 28 F CA 0.315 58.344 58.000 0.049 0.000 0.896 28 F CB -1.838 37.064 39.000 -0.163 0.000 0.821 28 F HN 0.375 nan 8.300 nan 0.000 0.828 29 Q N 1.069 120.988 119.800 0.198 0.000 2.352 29 Q HA 0.537 4.829 4.340 -0.081 0.000 0.260 29 Q C 0.429 176.527 176.000 0.162 0.000 0.976 29 Q CA -0.306 55.601 55.803 0.174 0.000 0.881 29 Q CB 1.024 29.821 28.738 0.099 0.000 1.235 29 Q HN 0.210 nan 8.270 nan 0.000 0.419 30 R N 0.770 121.344 120.500 0.122 0.000 2.771 30 R HA 0.593 4.885 4.340 -0.081 0.000 0.274 30 R C -1.236 175.077 176.300 0.022 0.000 0.987 30 R CA -0.677 55.444 56.100 0.035 0.000 0.908 30 R CB 2.217 32.469 30.300 -0.079 0.000 1.213 30 R HN 0.594 nan 8.270 nan 0.000 0.468 31 S N 1.988 117.689 115.700 0.000 0.000 2.572 31 S HA 0.653 5.074 4.470 -0.081 0.000 0.274 31 S C -1.212 173.386 174.600 -0.003 0.000 1.150 31 S CA -0.716 57.489 58.200 0.009 0.000 0.944 31 S CB 0.754 63.954 63.200 -0.001 0.000 1.071 31 S HN 0.390 nan 8.310 nan 0.000 0.479 32 I N 3.726 124.305 120.570 0.014 0.000 2.436 32 I HA 0.494 4.615 4.170 -0.081 0.000 0.289 32 I C 0.585 176.721 176.117 0.032 0.000 1.010 32 I CA -0.726 60.582 61.300 0.013 0.000 1.098 32 I CB 1.028 39.036 38.000 0.015 0.000 1.266 32 I HN 0.799 nan 8.210 nan 0.000 0.434 33 A N 7.542 130.375 122.820 0.022 0.000 2.371 33 A HA 0.683 4.954 4.320 -0.081 0.000 0.257 33 A C -0.287 177.322 177.584 0.042 0.000 1.089 33 A CA -0.209 51.844 52.037 0.027 0.000 0.794 33 A CB 0.498 19.504 19.000 0.011 0.000 1.029 33 A HN 0.704 nan 8.150 nan 0.000 0.488 34 L N 1.102 122.357 121.223 0.054 0.000 2.334 34 L HA 0.470 4.762 4.340 -0.081 0.000 0.276 34 L C 0.349 177.215 176.870 -0.007 0.000 1.014 34 L CA -0.475 54.404 54.840 0.064 0.000 0.815 34 L CB 1.765 43.914 42.059 0.151 0.000 1.268 34 L HN 0.885 nan 8.230 nan 0.000 0.428 35 E N 0.867 121.024 120.200 -0.072 0.000 2.249 35 E HA 0.343 4.645 4.350 -0.081 0.000 0.280 35 E C -1.176 175.188 176.600 -0.393 0.000 1.016 35 E CA -0.423 55.825 56.400 -0.254 0.000 0.830 35 E CB 1.269 30.763 29.700 -0.343 0.000 1.081 35 E HN 0.502 nan 8.360 nan 0.000 0.395 36 T N 3.602 117.911 114.554 -0.408 0.000 2.823 36 T HA 0.360 4.661 4.350 -0.081 0.000 0.279 36 T C -1.229 173.184 174.700 -0.478 0.000 0.998 36 T CA -0.395 61.517 62.100 -0.313 0.000 0.994 36 T CB 0.345 69.163 68.868 -0.083 0.000 0.960 36 T HN 0.283 nan 8.240 nan 0.000 0.448 37 Y N 0.213 120.526 120.300 0.021 0.000 2.457 37 Y HA 0.638 5.140 4.550 -0.080 0.000 0.333 37 Y C 1.299 177.216 175.900 0.029 0.000 1.119 37 Y CA -0.209 57.900 58.100 0.015 0.000 1.143 37 Y CB 1.946 40.403 38.460 -0.006 0.000 1.230 37 Y HN 0.878 nan 8.280 nan 0.000 0.469 38 G N 0.272 109.186 108.800 0.189 0.000 2.421 38 G HA2 -0.212 3.700 3.960 -0.081 0.000 0.188 38 G HA3 -0.212 3.700 3.960 -0.081 0.000 0.188 38 G C -0.020 174.934 174.900 0.090 0.000 1.001 38 G CA -0.147 45.030 45.100 0.128 0.000 0.693 38 G HN 0.662 nan 8.290 nan 0.000 0.479 39 D N -0.698 119.747 120.400 0.074 0.000 2.911 39 D HA -0.168 4.424 4.640 -0.081 0.000 0.227 39 D C 1.771 178.102 176.300 0.050 0.000 1.164 39 D CA 2.710 56.744 54.000 0.057 0.000 0.782 39 D CB -1.520 39.318 40.800 0.063 0.000 1.094 39 D HN 2.089 nan 8.370 nan 0.000 0.425 40 G N -0.058 108.769 108.800 0.046 0.000 2.155 40 G HA2 -0.388 3.523 3.960 -0.081 0.000 0.257 40 G HA3 -0.388 3.523 3.960 -0.081 0.000 0.257 40 G C 0.730 175.657 174.900 0.045 0.000 0.983 40 G CA 0.516 45.641 45.100 0.041 0.000 0.676 40 G HN 0.428 nan 8.290 nan 0.000 0.528 41 N N 0.424 119.156 118.700 0.053 0.000 2.322 41 N HA 0.373 5.065 4.740 -0.081 0.000 0.194 41 N C 1.777 177.321 175.510 0.057 0.000 1.126 41 N CA 1.554 54.638 53.050 0.056 0.000 0.845 41 N CB 0.497 39.021 38.487 0.062 0.000 0.976 41 N HN 1.255 nan 8.380 nan 0.000 0.475 42 G N 0.053 108.884 108.800 0.050 0.000 3.435 42 G HA2 -0.162 3.749 3.960 -0.081 0.000 0.197 42 G HA3 -0.162 3.749 3.960 -0.081 0.000 0.197 42 G C -2.522 172.409 174.900 0.053 0.000 1.497 42 G CA -0.612 44.515 45.100 0.046 0.000 1.043 42 G HN 0.237 nan 8.290 nan 0.000 0.466 43 P HA 0.577 nan 4.420 nan 0.000 0.275 43 P C -0.554 176.796 177.300 0.084 0.000 1.228 43 P CA -0.131 63.035 63.100 0.111 0.000 0.786 43 P CB 1.850 33.642 31.700 0.153 0.000 0.927 44 V N 2.875 122.837 119.914 0.079 0.000 2.462 44 V HA 0.369 4.441 4.120 -0.081 0.000 0.288 44 V C -0.157 176.001 176.094 0.107 0.000 1.020 44 V CA -0.352 61.986 62.300 0.063 0.000 0.857 44 V CB 0.988 32.807 31.823 -0.007 0.000 1.013 44 V HN 0.509 nan 8.190 nan 0.000 0.431 45 E N 3.198 123.484 120.200 0.143 0.000 2.367 45 E HA 0.705 5.007 4.350 -0.081 0.000 0.273 45 E C -1.327 175.395 176.600 0.203 0.000 0.903 45 E CA -0.883 55.615 56.400 0.165 0.000 0.764 45 E CB 3.231 33.026 29.700 0.159 0.000 1.252 45 E HN 0.649 nan 8.360 nan 0.000 0.446 46 Q N 0.591 120.467 119.800 0.127 0.000 2.456 46 Q HA 0.299 4.590 4.340 -0.081 0.000 0.283 46 Q C -1.492 174.403 176.000 -0.175 0.000 1.084 46 Q CA -0.965 54.887 55.803 0.082 0.000 0.801 46 Q CB 2.167 30.965 28.738 0.100 0.000 1.434 46 Q HN 0.378 nan 8.270 nan 0.000 0.419 47 D N 1.130 121.411 120.400 -0.199 0.000 2.339 47 D HA 0.179 4.771 4.640 -0.081 0.000 0.241 47 D C 0.427 176.251 176.300 -0.793 0.000 1.183 47 D CA 0.102 53.861 54.000 -0.402 0.000 0.859 47 D CB 1.702 42.366 40.800 -0.227 0.000 1.067 47 D HN 0.717 nan 8.370 nan 0.000 0.484 48 A N 3.085 125.246 122.820 -1.099 0.000 1.978 48 A HA -0.121 4.151 4.320 -0.081 0.000 0.220 48 A C 2.128 179.142 177.584 -0.950 0.000 1.170 48 A CA 1.767 52.749 52.037 -1.758 0.000 0.636 48 A CB -0.540 17.403 19.000 -1.762 0.000 0.810 48 A HN 0.620 nan 8.150 nan 0.000 0.448 49 G N -0.194 108.308 108.800 -0.497 0.000 2.462 49 G HA2 -0.243 3.668 3.960 -0.081 0.000 0.220 49 G HA3 -0.243 3.668 3.960 -0.081 0.000 0.220 49 G C 1.004 175.900 174.900 -0.007 0.000 1.121 49 G CA 1.178 46.237 45.100 -0.069 0.000 0.758 49 G HN 0.488 nan 8.290 nan 0.000 0.559 50 D N -0.029 120.272 120.400 -0.165 0.000 2.218 50 D HA -0.082 4.510 4.640 -0.081 0.000 0.204 50 D C 2.031 178.418 176.300 0.145 0.000 0.976 50 D CA 0.527 54.506 54.000 -0.034 0.000 0.853 50 D CB -0.164 40.600 40.800 -0.060 0.000 0.939 50 D HN 0.454 nan 8.370 nan 0.000 0.481 51 W N 0.113 121.472 121.300 0.098 0.000 2.381 51 W HA -0.109 4.502 4.660 -0.081 0.000 0.301 51 W C 2.268 178.887 176.519 0.166 0.000 1.205 51 W CA 0.124 57.541 57.345 0.121 0.000 1.285 51 W CB -1.577 27.971 29.460 0.147 0.000 1.133 51 W HN 0.090 nan 8.180 nan 0.000 0.521 52 Y N 1.676 122.174 120.300 0.330 0.000 2.337 52 Y HA -0.167 4.335 4.550 -0.081 0.000 0.293 52 Y C 2.231 178.182 175.900 0.084 0.000 1.123 52 Y CA 1.971 60.169 58.100 0.165 0.000 1.201 52 Y CB -0.808 37.747 38.460 0.158 0.000 1.011 52 Y HN -0.004 nan 8.280 nan 0.000 0.545 53 D N -0.139 120.314 120.400 0.089 0.000 2.123 53 D HA -0.218 4.374 4.640 -0.081 0.000 0.196 53 D C 2.203 178.460 176.300 -0.072 0.000 0.992 53 D CA 1.602 55.578 54.000 -0.039 0.000 0.833 53 D CB -0.252 40.557 40.800 0.015 0.000 0.954 53 D HN 0.358 nan 8.370 nan 0.000 0.455 54 A N -0.143 122.684 122.820 0.011 0.000 1.902 54 A HA -0.117 4.154 4.320 -0.081 0.000 0.217 54 A C 2.518 180.068 177.584 -0.058 0.000 1.181 54 A CA 1.643 53.681 52.037 0.002 0.000 0.623 54 A CB -0.900 18.154 19.000 0.088 0.000 0.818 54 A HN 0.236 nan 8.150 nan 0.000 0.443 55 V N -0.038 119.821 119.914 -0.092 0.000 2.343 55 V HA -0.327 3.745 4.120 -0.081 0.000 0.247 55 V C 2.641 178.588 176.094 -0.244 0.000 1.051 55 V CA 2.277 64.460 62.300 -0.194 0.000 1.036 55 V CB -0.924 30.694 31.823 -0.342 0.000 0.654 55 V HN 0.646 nan 8.190 nan 0.000 0.451 56 Q N -0.439 119.155 119.800 -0.343 0.000 2.084 56 Q HA -0.213 4.079 4.340 -0.081 0.000 0.202 56 Q C 2.504 178.341 176.000 -0.271 0.000 0.978 56 Q CA 1.662 57.271 55.803 -0.323 0.000 0.844 56 Q CB -0.215 28.319 28.738 -0.340 0.000 0.898 56 Q HN 0.580 nan 8.270 nan 0.000 0.426 57 R N 0.165 120.528 120.500 -0.229 0.000 2.075 57 R HA -0.082 4.209 4.340 -0.081 0.000 0.232 57 R C 2.250 178.349 176.300 -0.335 0.000 1.126 57 R CA 1.137 57.106 56.100 -0.218 0.000 0.963 57 R CB -0.251 29.960 30.300 -0.148 0.000 0.858 57 R HN 0.255 nan 8.270 nan 0.000 0.435 58 I N 0.513 120.853 120.570 -0.383 0.000 2.179 58 I HA -0.285 3.837 4.170 -0.081 0.000 0.242 58 I C 2.596 178.034 176.117 -1.131 0.000 1.088 58 I CA 1.390 62.283 61.300 -0.677 0.000 1.357 58 I CB -0.401 37.279 38.000 -0.534 0.000 1.051 58 I HN 0.207 nan 8.210 nan 0.000 0.409 59 A N -0.353 121.916 122.820 -0.918 0.000 1.902 59 A HA -0.251 4.021 4.320 -0.081 0.000 0.217 59 A C 2.485 179.252 177.584 -1.363 0.000 1.181 59 A CA 2.225 53.544 52.037 -1.198 0.000 0.623 59 A CB -0.883 17.618 19.000 -0.832 0.000 0.818 59 A HN 0.408 nan 8.150 nan 0.000 0.443 60 S N -0.578 114.699 115.700 -0.705 0.000 2.370 60 S HA -0.165 4.256 4.470 -0.081 0.000 0.226 60 S C 2.306 176.667 174.600 -0.398 0.000 1.033 60 S CA 1.987 59.942 58.200 -0.408 0.000 1.011 60 S CB -0.455 62.627 63.200 -0.196 0.000 0.852 60 S HN 0.646 nan 8.310 nan 0.000 0.457 61 S N -0.524 114.909 115.700 -0.445 0.000 2.419 61 S HA -0.064 4.357 4.470 -0.081 0.000 0.233 61 S C 1.551 176.011 174.600 -0.233 0.000 1.016 61 S CA 1.163 59.183 58.200 -0.300 0.000 0.974 61 S CB -0.479 62.545 63.200 -0.293 0.000 0.786 61 S HN 0.761 nan 8.310 nan 0.000 0.492 62 W N 0.988 121.928 121.300 -0.601 0.000 2.407 62 W HA 0.150 4.761 4.660 -0.081 0.000 0.305 62 W C 2.096 178.354 176.519 -0.435 0.000 1.196 62 W CA -0.299 56.637 57.345 -0.681 0.000 1.311 62 W CB -1.642 27.162 29.460 -1.093 0.000 1.135 62 W HN 0.488 nan 8.180 nan 0.000 0.514 63 W N 0.402 121.723 121.300 0.036 0.000 2.388 63 W HA -0.141 4.471 4.660 -0.080 0.000 0.294 63 W C 2.088 178.590 176.519 -0.028 0.000 1.212 63 W CA 0.585 57.911 57.345 -0.031 0.000 1.271 63 W CB -0.955 28.476 29.460 -0.048 0.000 1.126 63 W HN -0.086 nan 8.180 nan 0.000 0.535 64 Q N 0.176 120.059 119.800 0.138 0.000 2.482 64 Q HA -0.008 4.283 4.340 -0.081 0.000 0.209 64 Q C 1.408 177.451 176.000 0.071 0.000 0.961 64 Q CA 0.657 56.511 55.803 0.085 0.000 0.945 64 Q CB 0.049 28.812 28.738 0.042 0.000 1.012 64 Q HN 0.135 nan 8.270 nan 0.000 0.515 65 S N -0.715 115.028 115.700 0.071 0.000 2.597 65 S HA 0.226 4.647 4.470 -0.081 0.000 0.224 65 S C 1.050 175.715 174.600 0.107 0.000 0.955 65 S CA 0.460 58.729 58.200 0.115 0.000 0.933 65 S CB 0.864 64.185 63.200 0.202 0.000 0.788 65 S HN 0.620 nan 8.310 nan 0.000 0.488 66 G N 0.922 109.765 108.800 0.072 0.000 2.176 66 G HA2 -0.235 3.676 3.960 -0.081 0.000 0.232 66 G HA3 -0.235 3.676 3.960 -0.081 0.000 0.232 66 G C 0.098 175.009 174.900 0.019 0.000 0.986 66 G CA -0.168 44.970 45.100 0.064 0.000 0.643 66 G HN 0.398 nan 8.290 nan 0.000 0.522 67 V N 1.751 121.629 119.914 -0.060 0.000 2.555 67 V HA 0.401 4.473 4.120 -0.081 0.000 0.286 67 V C 0.441 176.622 176.094 0.144 0.000 1.044 67 V CA -0.214 62.040 62.300 -0.075 0.000 1.026 67 V CB 1.662 33.276 31.823 -0.347 0.000 0.981 67 V HN 0.359 nan 8.190 nan 0.000 0.480 68 D N 3.992 124.424 120.400 0.053 0.000 2.316 68 D HA 0.339 4.930 4.640 -0.081 0.000 0.245 68 D C 0.876 177.138 176.300 -0.063 0.000 1.171 68 D CA 0.004 53.988 54.000 -0.027 0.000 0.856 68 D CB 1.872 42.634 40.800 -0.064 0.000 1.090 68 D HN 0.587 nan 8.370 nan 0.000 0.476 69 A N 4.859 127.476 122.820 -0.337 0.000 2.125 69 A HA -0.145 4.126 4.320 -0.081 0.000 0.219 69 A C 1.943 179.453 177.584 -0.123 0.000 1.156 69 A CA 0.879 52.629 52.037 -0.480 0.000 0.671 69 A CB -0.172 18.092 19.000 -1.226 0.000 0.794 69 A HN 0.651 nan 8.150 nan 0.000 0.459 70 R N -0.902 119.536 120.500 -0.103 0.000 2.280 70 R HA 0.049 4.341 4.340 -0.081 0.000 0.207 70 R C 1.200 177.519 176.300 0.032 0.000 1.043 70 R CA 0.471 56.562 56.100 -0.015 0.000 1.006 70 R CB 0.008 30.293 30.300 -0.025 0.000 0.885 70 R HN 0.230 nan 8.270 nan 0.000 0.467 71 R N 0.311 120.785 120.500 -0.042 0.000 2.334 71 R HA 0.145 4.436 4.340 -0.081 0.000 0.216 71 R C -0.146 176.254 176.300 0.166 0.000 0.905 71 R CA 0.123 56.106 56.100 -0.195 0.000 1.064 71 R CB 0.423 30.450 30.300 -0.454 0.000 1.046 71 R HN -0.040 nan 8.270 nan 0.000 0.508 72 V N 1.760 121.833 119.914 0.265 0.000 2.372 72 V HA 0.059 4.130 4.120 -0.081 0.000 0.261 72 V C 1.072 177.347 176.094 0.301 0.000 1.055 72 V CA 0.281 62.795 62.300 0.357 0.000 0.930 72 V CB 1.343 33.444 31.823 0.463 0.000 1.031 72 V HN 0.172 nan 8.190 nan 0.000 0.479 73 S N 3.222 119.109 115.700 0.312 0.000 2.501 73 S HA 0.465 4.886 4.470 -0.081 0.000 0.220 73 S C 0.635 175.278 174.600 0.072 0.000 0.997 73 S CA 0.647 58.983 58.200 0.226 0.000 0.919 73 S CB 0.356 63.728 63.200 0.286 0.000 0.778 73 S HN 0.973 nan 8.310 nan 0.000 0.523 74 A N 0.593 123.442 122.820 0.049 0.000 2.605 74 A HA 0.726 4.998 4.320 -0.081 0.000 0.294 74 A C -1.699 175.886 177.584 0.001 0.000 1.062 74 A CA -0.696 51.325 52.037 -0.028 0.000 0.682 74 A CB 0.821 19.747 19.000 -0.123 0.000 1.278 74 A HN 0.197 nan 8.150 nan 0.000 0.410 75 I N 0.857 121.403 120.570 -0.039 0.000 2.509 75 I HA 0.701 4.822 4.170 -0.081 0.000 0.293 75 I C -0.789 175.337 176.117 0.016 0.000 1.020 75 I CA -1.055 60.245 61.300 0.001 0.000 1.088 75 I CB 1.986 39.877 38.000 -0.182 0.000 1.267 75 I HN 0.515 nan 8.210 nan 0.000 0.430 76 V N 7.502 127.477 119.914 0.102 0.000 2.851 76 V HA 0.609 4.680 4.120 -0.081 0.000 0.307 76 V C -1.706 174.470 176.094 0.137 0.000 1.129 76 V CA -0.334 61.999 62.300 0.055 0.000 0.932 76 V CB 2.334 34.150 31.823 -0.012 0.000 1.024 76 V HN 0.537 nan 8.190 nan 0.000 0.426 77 L N 5.132 126.404 121.223 0.082 0.000 2.371 77 L HA 0.888 5.179 4.340 -0.081 0.000 0.262 77 L C 0.090 176.978 176.870 0.030 0.000 1.006 77 L CA -0.052 54.852 54.840 0.107 0.000 0.818 77 L CB 2.423 44.520 42.059 0.063 0.000 1.354 77 L HN 0.852 nan 8.230 nan 0.000 0.415 78 S N -0.410 115.309 115.700 0.032 0.000 2.751 78 S HA 1.050 5.471 4.470 -0.081 0.000 0.310 78 S C -0.280 174.286 174.600 -0.056 0.000 1.128 78 S CA -0.187 57.998 58.200 -0.025 0.000 0.931 78 S CB 2.252 65.442 63.200 -0.018 0.000 1.177 78 S HN 1.127 nan 8.310 nan 0.000 0.530 79 G N -0.459 108.278 108.800 -0.106 0.000 2.323 79 G HA2 0.367 4.278 3.960 -0.081 0.000 0.291 79 G HA3 0.367 4.278 3.960 -0.081 0.000 0.291 79 G C -1.588 173.193 174.900 -0.199 0.000 1.278 79 G CA -0.909 44.095 45.100 -0.160 0.000 0.860 79 G HN 0.808 nan 8.290 nan 0.000 0.504 83 N N 0.268 119.032 118.700 0.107 0.000 2.508 83 N HA 0.483 5.174 4.740 -0.081 0.000 0.285 83 N C -1.334 174.286 175.510 0.184 0.000 1.144 83 N CA -0.277 52.861 53.050 0.146 0.000 0.978 83 N CB 0.807 39.373 38.487 0.132 0.000 1.180 83 N HN 0.142 nan 8.380 nan 0.000 0.484 84 F N 2.671 122.628 119.950 0.011 0.000 2.445 84 F HA 0.566 5.044 4.527 -0.081 0.000 0.348 84 F C -1.666 174.069 175.800 -0.108 0.000 1.125 84 F CA -1.119 56.842 58.000 -0.066 0.000 0.983 84 F CB 0.592 39.530 39.000 -0.103 0.000 1.198 84 F HN 0.234 nan 8.300 nan 0.000 0.436 85 L N 9.846 130.653 121.223 -0.693 0.000 2.457 85 L HA 0.668 4.959 4.340 -0.081 0.000 0.266 85 L C -2.881 173.513 176.870 -0.793 0.000 0.979 85 L CA -2.108 52.296 54.840 -0.726 0.000 0.857 85 L CB 1.758 43.632 42.059 -0.307 0.000 1.213 85 L HN 0.325 nan 8.230 nan 0.000 0.418 86 P HA 0.391 nan 4.420 nan 0.000 0.292 86 P C -1.242 175.832 177.300 -0.377 0.000 1.287 86 P CA -0.240 62.426 63.100 -0.724 0.000 0.800 86 P CB 1.499 32.487 31.700 -1.187 0.000 0.945 87 L N 2.478 123.606 121.223 -0.160 0.000 2.323 87 L HA 0.474 4.765 4.340 -0.081 0.000 0.265 87 L C 0.791 177.703 176.870 0.069 0.000 1.012 87 L CA -1.000 53.825 54.840 -0.024 0.000 0.820 87 L CB 1.717 43.799 42.059 0.038 0.000 1.334 87 L HN 0.364 nan 8.230 nan 0.000 0.427 88 D N -0.595 119.860 120.400 0.091 0.000 2.511 88 D HA 0.048 4.640 4.640 -0.081 0.000 0.276 88 D C 0.702 177.094 176.300 0.154 0.000 1.220 88 D CA -0.516 53.537 54.000 0.088 0.000 1.077 88 D CB 0.383 41.216 40.800 0.055 0.000 1.126 88 D HN 0.633 nan 8.370 nan 0.000 0.583 89 Q N -1.182 118.664 119.800 0.078 0.000 2.364 89 Q HA -0.118 4.173 4.340 -0.081 0.000 0.207 89 Q C -0.045 175.961 176.000 0.010 0.000 0.970 89 Q CA 1.150 57.005 55.803 0.088 0.000 0.888 89 Q CB -0.251 28.497 28.738 0.016 0.000 0.951 89 Q HN 0.374 nan 8.270 nan 0.000 0.469 90 D N 0.566 120.947 120.400 -0.032 0.000 2.325 90 D HA 0.050 4.642 4.640 -0.081 0.000 0.225 90 D C -0.554 175.668 176.300 -0.129 0.000 1.096 90 D CA 0.095 54.002 54.000 -0.156 0.000 0.844 90 D CB -0.101 40.652 40.800 -0.079 0.000 0.925 90 D HN 0.469 nan 8.370 nan 0.000 0.513 91 H N -0.799 118.276 119.070 0.008 0.000 3.080 91 H HA -0.127 4.380 4.556 -0.081 0.000 0.254 91 H C -0.227 175.105 175.328 0.008 0.000 1.179 91 H CA 0.333 56.356 56.048 -0.041 0.000 1.144 91 H CB -0.847 28.822 29.762 -0.156 0.000 1.261 91 H HN 0.132 nan 8.280 nan 0.000 0.333 92 E N 1.425 121.691 120.200 0.110 0.000 2.283 92 E HA 0.208 4.510 4.350 -0.081 0.000 0.278 92 E C -2.238 174.366 176.600 0.006 0.000 1.027 92 E CA -2.046 54.388 56.400 0.057 0.000 0.843 92 E CB 0.948 30.660 29.700 0.021 0.000 1.062 92 E HN 0.152 nan 8.360 nan 0.000 0.401 93 P HA 0.061 nan 4.420 nan 0.000 0.268 93 P C 0.357 177.588 177.300 -0.115 0.000 1.205 93 P CA 0.216 63.218 63.100 -0.164 0.000 0.771 93 P CB 0.545 32.076 31.700 -0.282 0.000 0.858 94 L N 1.081 122.231 121.223 -0.122 0.000 2.616 94 L HA 0.217 4.509 4.340 -0.081 0.000 0.229 94 L C 1.021 177.910 176.870 0.032 0.000 1.110 94 L CA 0.384 55.234 54.840 0.018 0.000 0.884 94 L CB -0.118 42.048 42.059 0.178 0.000 1.115 94 L HN 0.540 nan 8.230 nan 0.000 0.481 95 H N -0.472 118.418 119.070 -0.300 0.000 3.037 95 H HA 0.324 4.832 4.556 -0.081 0.000 0.336 95 H C -0.631 174.473 175.328 -0.372 0.000 1.323 95 H CA -0.812 55.033 56.048 -0.338 0.000 1.159 95 H CB 1.804 31.259 29.762 -0.512 0.000 1.882 95 H HN -0.082 nan 8.280 nan 0.000 0.535 96 R N 0.812 121.020 120.500 -0.486 0.000 2.698 96 R HA 0.244 4.535 4.340 -0.081 0.000 0.266 96 R C 0.041 176.265 176.300 -0.126 0.000 1.026 96 R CA 0.450 56.373 56.100 -0.295 0.000 1.102 96 R CB 0.300 30.433 30.300 -0.277 0.000 0.978 96 R HN 0.531 nan 8.270 nan 0.000 0.436 97 A N 2.773 125.443 122.820 -0.249 0.000 2.540 97 A HA 0.142 4.414 4.320 -0.081 0.000 0.239 97 A C -0.002 177.602 177.584 0.033 0.000 1.061 97 A CA -0.243 51.702 52.037 -0.153 0.000 0.758 97 A CB 0.427 19.358 19.000 -0.116 0.000 0.991 97 A HN 0.433 nan 8.150 nan 0.000 0.502 98 V N 4.491 124.452 119.914 0.079 0.000 2.394 98 V HA 0.264 4.335 4.120 -0.081 0.000 0.282 98 V C 0.049 176.242 176.094 0.165 0.000 1.031 98 V CA -0.422 61.974 62.300 0.160 0.000 0.881 98 V CB 0.928 32.888 31.823 0.228 0.000 0.982 98 V HN 0.749 nan 8.190 nan 0.000 0.451 99 L N 4.359 125.667 121.223 0.142 0.000 2.439 99 L HA 0.291 4.583 4.340 -0.081 0.000 0.259 99 L C 1.316 178.239 176.870 0.088 0.000 1.129 99 L CA 0.015 54.949 54.840 0.156 0.000 0.803 99 L CB 0.143 42.290 42.059 0.147 0.000 1.161 99 L HN 0.756 nan 8.230 nan 0.000 0.462 100 Y N -0.675 119.647 120.300 0.036 0.000 2.256 100 Y HA -0.206 4.295 4.550 -0.081 0.000 0.288 100 Y C 1.905 177.817 175.900 0.020 0.000 1.155 100 Y CA 1.233 59.342 58.100 0.015 0.000 1.203 100 Y CB -0.775 37.663 38.460 -0.036 0.000 0.980 100 Y HN 0.574 nan 8.280 nan 0.000 0.530 101 S N -1.108 113.975 115.700 -1.027 0.000 2.562 101 S HA -0.059 4.363 4.470 -0.081 0.000 0.221 101 S C 0.480 174.893 174.600 -0.311 0.000 0.975 101 S CA 0.082 57.797 58.200 -0.808 0.000 0.918 101 S CB -0.402 62.245 63.200 -0.922 0.000 0.772 101 S HN 0.521 nan 8.310 nan 0.000 0.531 102 D N 3.156 123.441 120.400 -0.191 0.000 2.371 102 D HA 0.092 4.684 4.640 -0.081 0.000 0.256 102 D C 0.264 176.505 176.300 -0.099 0.000 1.193 102 D CA 0.172 54.116 54.000 -0.093 0.000 0.881 102 D CB 0.692 41.477 40.800 -0.024 0.000 1.143 102 D HN 0.603 nan 8.370 nan 0.000 0.473 103 K N 2.752 123.091 120.400 -0.102 0.000 2.934 103 K HA 0.283 4.555 4.320 -0.081 0.000 0.210 103 K C 1.060 177.565 176.600 -0.158 0.000 1.122 103 K CA -0.594 55.625 56.287 -0.114 0.000 1.033 103 K CB 0.685 33.140 32.500 -0.075 0.000 0.779 103 K HN 0.104 nan 8.250 nan 0.000 0.459 104 R N 1.025 121.393 120.500 -0.221 0.000 2.096 104 R HA -0.041 4.251 4.340 -0.081 0.000 0.235 104 R C -1.186 174.818 176.300 -0.493 0.000 1.127 104 R CA 0.880 56.795 56.100 -0.308 0.000 0.968 104 R CB -0.945 29.172 30.300 -0.304 0.000 0.861 104 R HN 0.233 nan 8.270 nan 0.000 0.440 105 P HA 0.068 nan 4.420 nan 0.000 0.218 105 P C 0.280 177.451 177.300 -0.215 0.000 1.793 105 P CA 0.373 63.141 63.100 -0.555 0.000 0.941 105 P CB -0.156 31.228 31.700 -0.526 0.000 1.919 106 L N -0.162 120.976 121.223 -0.142 0.000 2.046 106 L HA -0.168 4.124 4.340 -0.081 0.000 0.208 106 L C 2.444 179.296 176.870 -0.031 0.000 1.077 106 L CA 1.375 56.173 54.840 -0.071 0.000 0.747 106 L CB -0.522 41.510 42.059 -0.044 0.000 0.896 106 L HN 0.124 nan 8.230 nan 0.000 0.432 107 K N 0.605 121.005 120.400 -0.000 0.000 2.097 107 K HA -0.173 4.099 4.320 -0.081 0.000 0.205 107 K C 1.931 178.549 176.600 0.030 0.000 1.050 107 K CA 1.442 57.744 56.287 0.026 0.000 0.938 107 K CB 0.093 32.626 32.500 0.056 0.000 0.718 107 K HN 0.236 nan 8.250 nan 0.000 0.442 108 E N 0.330 120.548 120.200 0.030 0.000 2.051 108 E HA -0.108 4.194 4.350 -0.081 0.000 0.192 108 E C 1.880 178.466 176.600 -0.023 0.000 0.991 108 E CA 1.465 57.877 56.400 0.020 0.000 0.799 108 E CB -0.325 29.388 29.700 0.022 0.000 0.748 108 E HN 0.342 nan 8.360 nan 0.000 0.449 109 A N 0.942 123.734 122.820 -0.047 0.000 1.933 109 A HA -0.275 3.997 4.320 -0.081 0.000 0.218 109 A C 2.179 179.755 177.584 -0.013 0.000 1.175 109 A CA 1.815 53.823 52.037 -0.049 0.000 0.628 109 A CB -0.560 18.405 19.000 -0.058 0.000 0.814 109 A HN 0.335 nan 8.150 nan 0.000 0.444 110 E N -0.450 119.749 120.200 -0.002 0.000 2.077 110 E HA -0.244 4.058 4.350 -0.081 0.000 0.193 110 E C 2.045 178.668 176.600 0.039 0.000 0.989 110 E CA 1.259 57.667 56.400 0.013 0.000 0.800 110 E CB -0.166 29.540 29.700 0.011 0.000 0.746 110 E HN 0.600 nan 8.360 nan 0.000 0.452 111 E N 0.792 121.023 120.200 0.052 0.000 2.072 111 E HA -0.174 4.128 4.350 -0.081 0.000 0.191 111 E C 2.156 178.842 176.600 0.144 0.000 0.985 111 E CA 0.981 57.437 56.400 0.092 0.000 0.801 111 E CB -0.165 29.600 29.700 0.109 0.000 0.750 111 E HN 0.414 nan 8.360 nan 0.000 0.452 112 I N 0.993 121.630 120.570 0.113 0.000 2.252 112 I HA -0.278 3.844 4.170 -0.081 0.000 0.245 112 I C 2.099 178.314 176.117 0.164 0.000 1.102 112 I CA 1.238 62.630 61.300 0.152 0.000 1.385 112 I CB -0.303 37.651 38.000 -0.076 0.000 1.064 112 I HN 0.101 nan 8.210 nan 0.000 0.414 113 N N 0.575 119.328 118.700 0.089 0.000 2.166 113 N HA -0.158 4.534 4.740 -0.081 0.000 0.186 113 N C 1.903 177.476 175.510 0.104 0.000 1.019 113 N CA 1.314 54.419 53.050 0.091 0.000 0.856 113 N CB -0.178 38.338 38.487 0.048 0.000 0.993 113 N HN 0.348 nan 8.380 nan 0.000 0.426 114 A N 0.998 123.872 122.820 0.090 0.000 1.898 114 A HA -0.120 4.152 4.320 -0.081 0.000 0.216 114 A C 2.099 179.730 177.584 0.077 0.000 1.181 114 A CA 1.202 53.281 52.037 0.070 0.000 0.620 114 A CB -0.455 18.577 19.000 0.054 0.000 0.819 114 A HN 0.215 nan 8.150 nan 0.000 0.442 115 R N -1.466 119.106 120.500 0.119 0.000 2.066 115 R HA -0.121 4.171 4.340 -0.081 0.000 0.232 115 R C 2.021 178.312 176.300 -0.014 0.000 1.131 115 R CA 1.677 57.818 56.100 0.069 0.000 0.955 115 R CB -0.347 30.048 30.300 0.158 0.000 0.851 115 R HN 0.681 nan 8.270 nan 0.000 0.432 116 H N -1.249 117.870 119.070 0.082 0.000 2.547 116 H HA 0.183 4.691 4.556 -0.081 0.000 0.272 116 H C 0.222 175.594 175.328 0.073 0.000 0.971 116 H CA 0.891 56.987 56.048 0.080 0.000 1.245 116 H CB 0.774 30.593 29.762 0.096 0.000 1.440 116 H HN 0.485 nan 8.280 nan 0.000 0.540 117 G N 0.275 109.170 108.800 0.157 0.000 3.421 117 G HA2 -0.069 3.843 3.960 -0.081 0.000 0.686 117 G HA3 -0.069 3.843 3.960 -0.081 0.000 0.686 117 G C 0.815 175.792 174.900 0.128 0.000 1.056 117 G CA 0.031 45.199 45.100 0.113 0.000 0.891 117 G HN 0.421 nan 8.290 nan 0.000 0.514 118 A N 1.792 124.670 122.820 0.098 0.000 1.908 118 A HA -0.051 4.221 4.320 -0.081 0.000 0.218 118 A C 2.092 179.759 177.584 0.138 0.000 1.181 118 A CA 2.445 54.541 52.037 0.097 0.000 0.627 118 A CB -0.260 18.769 19.000 0.049 0.000 0.818 118 A HN 0.753 nan 8.150 nan 0.000 0.445 119 D N -0.147 120.326 120.400 0.122 0.000 2.144 119 D HA -0.122 4.470 4.640 -0.081 0.000 0.200 119 D C 1.503 177.917 176.300 0.190 0.000 0.978 119 D CA 1.048 55.145 54.000 0.162 0.000 0.833 119 D CB -0.340 40.525 40.800 0.108 0.000 0.961 119 D HN 0.367 nan 8.370 nan 0.000 0.470 120 N N 0.924 119.715 118.700 0.152 0.000 2.120 120 N HA -0.085 4.607 4.740 -0.081 0.000 0.188 120 N C 2.195 177.806 175.510 0.169 0.000 1.024 120 N CA 0.479 53.617 53.050 0.146 0.000 0.852 120 N CB -0.405 38.173 38.487 0.151 0.000 1.003 120 N HN 0.256 nan 8.380 nan 0.000 0.424 121 L N -0.333 121.005 121.223 0.192 0.000 2.093 121 L HA -0.118 4.174 4.340 -0.081 0.000 0.208 121 L C 2.473 179.443 176.870 0.166 0.000 1.085 121 L CA 0.852 55.803 54.840 0.185 0.000 0.755 121 L CB -0.366 41.781 42.059 0.146 0.000 0.904 121 L HN 0.385 nan 8.230 nan 0.000 0.435 122 W N 0.364 121.681 121.300 0.029 0.000 2.381 122 W HA -0.219 4.393 4.660 -0.080 0.000 0.301 122 W C 2.579 179.099 176.519 0.002 0.000 1.205 122 W CA 1.571 58.916 57.345 0.001 0.000 1.285 122 W CB -0.131 29.322 29.460 -0.012 0.000 1.133 122 W HN 0.176 nan 8.180 nan 0.000 0.521 123 S N 0.884 116.557 115.700 -0.044 0.000 2.368 123 S HA -0.161 4.261 4.470 -0.081 0.000 0.225 123 S C 2.055 176.525 174.600 -0.216 0.000 1.030 123 S CA 2.044 60.150 58.200 -0.156 0.000 0.999 123 S CB -0.540 62.660 63.200 -0.001 0.000 0.844 123 S HN 0.298 nan 8.310 nan 0.000 0.459 124 A N 0.711 123.454 122.820 -0.128 0.000 1.898 124 A HA 0.265 4.537 4.320 -0.081 0.000 0.214 124 A C 2.129 179.583 177.584 -0.216 0.000 1.183 124 A CA 0.993 52.929 52.037 -0.169 0.000 0.622 124 A CB -0.481 18.449 19.000 -0.117 0.000 0.824 124 A HN 0.556 nan 8.150 nan 0.000 0.444 125 L N -1.623 119.502 121.223 -0.163 0.000 2.354 125 L HA 0.078 4.370 4.340 -0.081 0.000 0.212 125 L C 0.467 177.163 176.870 -0.290 0.000 1.091 125 L CA 0.569 55.324 54.840 -0.141 0.000 0.828 125 L CB -0.320 41.739 42.059 0.000 0.000 0.973 125 L HN 0.444 nan 8.230 nan 0.000 0.461 126 E N 0.460 120.301 120.200 -0.598 0.000 2.883 126 E HA -0.211 4.090 4.350 -0.081 0.000 0.271 126 E C -0.427 175.731 176.600 -0.738 0.000 1.049 126 E CA 0.342 56.137 56.400 -1.007 0.000 0.817 126 E CB -1.434 27.921 29.700 -0.575 0.000 1.407 126 E HN 0.557 nan 8.360 nan 0.000 0.434 127 N N -0.591 117.914 118.700 -0.326 0.000 2.591 127 N HA 0.331 5.022 4.740 -0.081 0.000 0.263 127 N C -2.765 172.793 175.510 0.080 0.000 1.308 127 N CA -1.348 51.683 53.050 -0.032 0.000 0.837 127 N CB 2.232 40.731 38.487 0.021 0.000 1.548 127 N HN -0.227 nan 8.380 nan 0.000 0.493 131 A N 0.267 123.052 122.820 -0.058 0.000 2.076 131 A HA 0.360 4.631 4.320 -0.081 0.000 0.220 131 A C 2.364 179.889 177.584 -0.098 0.000 1.160 131 A CA 2.209 54.187 52.037 -0.099 0.000 0.653 131 A CB -1.345 17.587 19.000 -0.114 0.000 0.801 131 A HN 1.622 nan 8.150 nan 0.000 0.455 132 A N -0.594 122.202 122.820 -0.040 0.000 2.169 132 A HA 0.314 4.586 4.320 -0.081 0.000 0.212 132 A C 1.390 178.988 177.584 0.023 0.000 1.153 132 A CA 0.573 52.606 52.037 -0.007 0.000 0.756 132 A CB -0.327 18.705 19.000 0.053 0.000 0.813 132 A HN 0.368 nan 8.150 nan 0.000 0.471 133 S N 0.126 115.832 115.700 0.011 0.000 2.589 133 S HA 0.205 4.627 4.470 -0.081 0.000 0.265 133 S C 1.208 175.784 174.600 -0.041 0.000 1.342 133 S CA -0.455 57.757 58.200 0.019 0.000 1.005 133 S CB 0.433 63.635 63.200 0.004 0.000 0.909 133 S HN 0.264 nan 8.310 nan 0.000 0.555 134 I N 0.936 121.489 120.570 -0.029 0.000 2.406 134 I HA -0.034 4.088 4.170 -0.081 0.000 0.249 134 I C 2.104 178.085 176.117 -0.227 0.000 1.122 134 I CA 0.864 62.108 61.300 -0.094 0.000 1.431 134 I CB -1.404 36.591 38.000 -0.008 0.000 1.087 134 I HN 0.514 nan 8.210 nan 0.000 0.424 135 L N 2.133 123.240 121.223 -0.193 0.000 2.046 135 L HA -0.070 4.222 4.340 -0.081 0.000 0.208 135 L C -0.535 176.173 176.870 -0.271 0.000 1.077 135 L CA 2.274 56.956 54.840 -0.263 0.000 0.747 135 L CB -1.776 40.131 42.059 -0.254 0.000 0.896 135 L HN 0.080 nan 8.230 nan 0.000 0.432 136 P HA -0.173 nan 4.420 nan 0.000 0.216 136 P C 1.328 178.519 177.300 -0.181 0.000 1.150 136 P CA 1.681 64.673 63.100 -0.180 0.000 0.837 136 P CB -0.012 31.594 31.700 -0.156 0.000 0.786 137 K N -1.021 119.212 120.400 -0.279 0.000 2.057 137 K HA -0.107 4.165 4.320 -0.081 0.000 0.206 137 K C 1.950 178.201 176.600 -0.581 0.000 1.050 137 K CA 0.919 56.984 56.287 -0.369 0.000 0.935 137 K CB -0.829 31.413 32.500 -0.429 0.000 0.715 137 K HN 0.046 nan 8.250 nan 0.000 0.439 138 L N 0.960 121.724 121.223 -0.765 0.000 2.056 138 L HA -0.133 4.158 4.340 -0.081 0.000 0.207 138 L C 1.968 178.797 176.870 -0.069 0.000 1.078 138 L CA 1.484 55.954 54.840 -0.617 0.000 0.749 138 L CB -0.319 41.340 42.059 -0.665 0.000 0.901 138 L HN -0.102 nan 8.230 nan 0.000 0.433 139 V N -0.659 119.244 119.914 -0.019 0.000 2.343 139 V HA -0.304 3.767 4.120 -0.081 0.000 0.247 139 V C 2.338 178.510 176.094 0.131 0.000 1.051 139 V CA 2.063 64.437 62.300 0.124 0.000 1.036 139 V CB -0.846 31.017 31.823 0.066 0.000 0.654 139 V HN 0.507 nan 8.190 nan 0.000 0.451 140 F N -0.379 119.554 119.950 -0.029 0.000 2.126 140 F HA -0.240 4.239 4.527 -0.080 0.000 0.299 140 F C 2.111 177.978 175.800 0.112 0.000 1.096 140 F CA 2.077 60.088 58.000 0.019 0.000 1.255 140 F CB -0.384 38.619 39.000 0.005 0.000 0.997 140 F HN 0.313 nan 8.300 nan 0.000 0.479 141 W N 1.525 122.893 121.300 0.114 0.000 2.379 141 W HA -0.135 4.476 4.660 -0.081 0.000 0.307 141 W C 2.800 179.430 176.519 0.185 0.000 1.200 141 W CA 2.221 59.675 57.345 0.182 0.000 1.297 141 W CB -0.654 28.944 29.460 0.229 0.000 1.140 141 W HN -0.017 nan 8.180 nan 0.000 0.507 142 R N 0.485 120.968 120.500 -0.029 0.000 2.091 142 R HA -0.197 4.095 4.340 -0.081 0.000 0.238 142 R C 2.181 178.266 176.300 -0.359 0.000 1.136 142 R CA 2.069 57.924 56.100 -0.409 0.000 0.959 142 R CB -0.750 29.202 30.300 -0.580 0.000 0.856 142 R HN 0.204 nan 8.270 nan 0.000 0.437 143 A N -0.472 122.203 122.820 -0.241 0.000 1.930 143 A HA -0.073 4.199 4.320 -0.081 0.000 0.217 143 A C 2.071 179.461 177.584 -0.323 0.000 1.175 143 A CA 1.786 53.678 52.037 -0.241 0.000 0.627 143 A CB -0.200 18.694 19.000 -0.178 0.000 0.815 143 A HN 0.406 nan 8.150 nan 0.000 0.443 144 S N -1.937 113.507 115.700 -0.427 0.000 2.503 144 S HA 0.281 4.702 4.470 -0.081 0.000 0.215 144 S C -0.227 173.798 174.600 -0.958 0.000 1.003 144 S CA 0.057 57.844 58.200 -0.688 0.000 0.910 144 S CB -0.049 62.635 63.200 -0.860 0.000 0.790 144 S HN 0.448 nan 8.310 nan 0.000 0.514 145 F N 1.502 121.211 119.950 -0.401 0.000 2.564 145 F HA 0.360 4.839 4.527 -0.081 0.000 0.329 145 F C -2.042 173.518 175.800 -0.400 0.000 1.458 145 F CA -1.973 55.788 58.000 -0.399 0.000 1.117 145 F CB 1.268 39.952 39.000 -0.527 0.000 1.383 145 F HN -0.029 nan 8.300 nan 0.000 0.571 146 P HA -0.155 nan 4.420 nan 0.000 0.219 146 P C 1.234 178.556 177.300 0.038 0.000 1.150 146 P CA 1.278 64.346 63.100 -0.053 0.000 0.814 146 P CB 0.481 32.141 31.700 -0.066 0.000 0.787 147 Q N 0.161 119.977 119.800 0.028 0.000 2.046 147 Q HA -0.062 4.230 4.340 -0.081 0.000 0.200 147 Q C 2.392 178.437 176.000 0.074 0.000 0.975 147 Q CA 1.795 57.630 55.803 0.052 0.000 0.836 147 Q CB -1.159 27.610 28.738 0.051 0.000 0.896 147 Q HN 0.219 nan 8.270 nan 0.000 0.428 148 A N 0.508 123.386 122.820 0.097 0.000 1.930 148 A HA -0.160 4.112 4.320 -0.081 0.000 0.217 148 A C 1.933 179.615 177.584 0.163 0.000 1.175 148 A CA 1.094 53.233 52.037 0.170 0.000 0.627 148 A CB -0.835 18.354 19.000 0.314 0.000 0.815 148 A HN 0.351 nan 8.150 nan 0.000 0.443 149 F N 1.457 121.281 119.950 -0.209 0.000 2.202 149 F HA -0.078 4.401 4.527 -0.081 0.000 0.301 149 F C 2.167 178.016 175.800 0.081 0.000 1.082 149 F CA 1.380 59.312 58.000 -0.114 0.000 1.313 149 F CB -0.590 38.258 39.000 -0.253 0.000 1.024 149 F HN 0.192 nan 8.300 nan 0.000 0.495 150 G N 0.022 108.800 108.800 -0.037 0.000 2.498 150 G HA2 -0.211 3.701 3.960 -0.081 0.000 0.219 150 G HA3 -0.211 3.701 3.960 -0.081 0.000 0.219 150 G C 1.682 176.512 174.900 -0.118 0.000 1.119 150 G CA 0.368 45.404 45.100 -0.108 0.000 0.766 150 G HN 0.373 nan 8.290 nan 0.000 0.552 151 R N -0.921 119.552 120.500 -0.046 0.000 2.317 151 R HA 0.219 4.511 4.340 -0.081 0.000 0.208 151 R C 0.164 176.452 176.300 -0.019 0.000 0.914 151 R CA -0.583 55.509 56.100 -0.013 0.000 1.060 151 R CB 0.023 30.349 30.300 0.044 0.000 1.015 151 R HN 0.287 nan 8.270 nan 0.000 0.498 152 L N 1.749 122.933 121.223 -0.064 0.000 2.513 152 L HA -0.022 4.269 4.340 -0.081 0.000 0.272 152 L C 0.797 177.599 176.870 -0.112 0.000 1.187 152 L CA 0.751 55.575 54.840 -0.027 0.000 0.895 152 L CB 0.527 42.578 42.059 -0.014 0.000 1.147 152 L HN -0.053 nan 8.230 nan 0.000 0.483 153 R N 2.970 123.393 120.500 -0.129 0.000 2.507 153 R HA 0.322 4.613 4.340 -0.081 0.000 0.230 153 R C -0.443 175.503 176.300 -0.590 0.000 0.897 153 R CA 0.123 56.013 56.100 -0.351 0.000 1.006 153 R CB 0.292 30.344 30.300 -0.413 0.000 1.341 153 R HN 0.667 nan 8.270 nan 0.000 0.604 154 H N -0.440 118.629 119.070 -0.003 0.000 2.865 154 H HA 0.369 4.876 4.556 -0.081 0.000 0.362 154 H C -0.970 174.318 175.328 -0.067 0.000 1.114 154 H CA -0.682 55.351 56.048 -0.025 0.000 1.208 154 H CB 2.828 32.503 29.762 -0.146 0.000 1.727 154 H HN -0.291 nan 8.280 nan 0.000 0.534 155 V N 3.595 123.572 119.914 0.104 0.000 2.334 155 V HA 0.145 4.216 4.120 -0.081 0.000 0.281 155 V C 0.308 176.475 176.094 0.123 0.000 1.016 155 V CA -0.688 61.633 62.300 0.037 0.000 0.832 155 V CB 1.495 33.349 31.823 0.053 0.000 0.999 155 V HN 0.434 nan 8.190 nan 0.000 0.439 156 V N 6.833 126.741 119.914 -0.009 0.000 2.546 156 V HA 0.316 4.388 4.120 -0.081 0.000 0.284 156 V C 0.720 176.872 176.094 0.097 0.000 1.050 156 V CA -0.031 62.323 62.300 0.090 0.000 0.981 156 V CB 1.667 33.482 31.823 -0.013 0.000 0.990 156 V HN 0.762 nan 8.190 nan 0.000 0.474 157 L N 3.636 124.945 121.223 0.143 0.000 2.858 157 L HA 0.523 4.815 4.340 -0.081 0.000 0.251 157 L C 0.818 177.733 176.870 0.073 0.000 1.149 157 L CA 0.293 55.197 54.840 0.106 0.000 0.955 157 L CB 0.672 42.794 42.059 0.104 0.000 1.289 157 L HN 0.776 nan 8.230 nan 0.000 0.542 158 G N -1.438 107.397 108.800 0.057 0.000 2.733 158 G HA2 0.497 4.409 3.960 -0.081 0.000 0.297 158 G HA3 0.497 4.409 3.960 -0.081 0.000 0.297 158 G C 0.316 175.161 174.900 -0.092 0.000 1.422 158 G CA 0.155 45.236 45.100 -0.031 0.000 0.942 158 G HN -0.115 nan 8.290 nan 0.000 0.510 159 A N 1.395 124.024 122.820 -0.318 0.000 1.902 159 A HA -0.049 4.222 4.320 -0.081 0.000 0.217 159 A C 2.211 179.571 177.584 -0.373 0.000 1.181 159 A CA 2.415 53.997 52.037 -0.758 0.000 0.623 159 A CB -0.351 17.747 19.000 -1.505 0.000 0.818 159 A HN 0.846 nan 8.150 nan 0.000 0.443 160 K N 0.239 120.490 120.400 -0.250 0.000 2.365 160 K HA -0.056 4.216 4.320 -0.081 0.000 0.199 160 K C 0.770 177.348 176.600 -0.037 0.000 1.045 160 K CA 1.559 57.774 56.287 -0.120 0.000 0.962 160 K CB -0.381 32.061 32.500 -0.096 0.000 0.759 160 K HN 0.354 nan 8.250 nan 0.000 0.469 161 D N 0.012 120.410 120.400 -0.003 0.000 2.224 161 D HA -0.145 4.447 4.640 -0.081 0.000 0.205 161 D C 1.527 177.866 176.300 0.065 0.000 0.965 161 D CA 0.884 54.913 54.000 0.049 0.000 0.852 161 D CB -0.238 40.631 40.800 0.115 0.000 0.947 161 D HN 0.318 nan 8.370 nan 0.000 0.494 162 Y N 1.736 122.040 120.300 0.007 0.000 2.200 162 Y HA -0.197 4.304 4.550 -0.080 0.000 0.290 162 Y C 2.166 178.044 175.900 -0.036 0.000 1.137 162 Y CA 1.051 59.155 58.100 0.006 0.000 1.163 162 Y CB -0.313 38.284 38.460 0.228 0.000 0.988 162 Y HN -0.231 nan 8.280 nan 0.000 0.518 163 V N -0.861 119.064 119.914 0.018 0.000 2.343 163 V HA -0.293 3.778 4.120 -0.081 0.000 0.247 163 V C 2.367 178.343 176.094 -0.197 0.000 1.051 163 V CA 1.710 63.953 62.300 -0.095 0.000 1.036 163 V CB -0.845 31.002 31.823 0.041 0.000 0.654 163 V HN 0.345 nan 8.190 nan 0.000 0.451 164 V N -0.227 119.603 119.914 -0.140 0.000 2.407 164 V HA -0.239 3.832 4.120 -0.081 0.000 0.248 164 V C 2.370 178.349 176.094 -0.192 0.000 1.055 164 V CA 2.061 64.282 62.300 -0.132 0.000 1.049 164 V CB -0.547 31.226 31.823 -0.082 0.000 0.662 164 V HN 0.529 nan 8.190 nan 0.000 0.455 165 L N 0.034 121.097 121.223 -0.265 0.000 2.046 165 L HA -0.103 4.188 4.340 -0.081 0.000 0.208 165 L C 2.559 179.176 176.870 -0.421 0.000 1.077 165 L CA 1.894 56.514 54.840 -0.366 0.000 0.747 165 L CB -0.656 41.102 42.059 -0.501 0.000 0.896 165 L HN 0.126 nan 8.230 nan 0.000 0.432 166 R N -0.420 119.721 120.500 -0.598 0.000 2.115 166 R HA -0.003 4.288 4.340 -0.081 0.000 0.230 166 R C 2.235 178.294 176.300 -0.401 0.000 1.111 166 R CA 1.347 57.026 56.100 -0.701 0.000 0.976 166 R CB -0.841 28.601 30.300 -1.431 0.000 0.870 166 R HN 0.430 nan 8.270 nan 0.000 0.445 167 L N 0.098 121.174 121.223 -0.244 0.000 2.179 167 L HA -0.073 4.219 4.340 -0.081 0.000 0.208 167 L C 2.075 178.913 176.870 -0.053 0.000 1.096 167 L CA 1.695 56.503 54.840 -0.054 0.000 0.779 167 L CB -0.290 41.749 42.059 -0.033 0.000 0.922 167 L HN 0.297 nan 8.230 nan 0.000 0.443 168 T N -6.051 108.449 114.554 -0.090 0.000 2.954 168 T HA 0.284 4.585 4.350 -0.081 0.000 0.252 168 T C 1.423 176.095 174.700 -0.046 0.000 0.983 168 T CA 0.520 62.585 62.100 -0.058 0.000 0.941 168 T CB 1.012 69.844 68.868 -0.061 0.000 1.141 168 T HN 0.300 nan 8.240 nan 0.000 0.500 169 G N 1.800 110.558 108.800 -0.070 0.000 2.157 169 G HA2 -0.222 3.689 3.960 -0.081 0.000 0.248 169 G HA3 -0.222 3.689 3.960 -0.081 0.000 0.248 169 G C 0.024 174.899 174.900 -0.042 0.000 0.979 169 G CA -0.035 45.061 45.100 -0.008 0.000 0.650 169 G HN 0.730 nan 8.290 nan 0.000 0.529 170 R N -0.473 119.972 120.500 -0.093 0.000 2.637 170 R HA 0.540 4.831 4.340 -0.081 0.000 0.291 170 R C -0.939 175.320 176.300 -0.068 0.000 0.963 170 R CA -0.980 55.083 56.100 -0.063 0.000 0.901 170 R CB 1.241 31.523 30.300 -0.029 0.000 1.160 170 R HN 0.238 nan 8.270 nan 0.000 0.457 171 H N 1.465 120.431 119.070 -0.175 0.000 2.556 171 H HA 0.624 5.132 4.556 -0.081 0.000 0.310 171 H C -1.282 174.014 175.328 -0.053 0.000 1.057 171 H CA -0.460 55.491 56.048 -0.162 0.000 1.264 171 H CB 0.945 30.591 29.762 -0.193 0.000 1.404 171 H HN 0.763 nan 8.280 nan 0.000 0.462 172 A N 3.596 126.359 122.820 -0.096 0.000 2.566 172 A HA 0.709 4.981 4.320 -0.081 0.000 0.292 172 A C -0.749 176.767 177.584 -0.114 0.000 1.112 172 A CA -0.399 51.559 52.037 -0.132 0.000 0.707 172 A CB 1.935 20.900 19.000 -0.058 0.000 1.302 172 A HN 0.662 nan 8.150 nan 0.000 0.409 173 T N -0.260 114.250 114.554 -0.073 0.000 2.792 173 T HA 0.525 4.826 4.350 -0.081 0.000 0.303 173 T C -1.938 172.713 174.700 -0.082 0.000 1.310 173 T CA -0.341 61.733 62.100 -0.042 0.000 1.007 173 T CB 1.354 70.236 68.868 0.022 0.000 1.335 173 T HN 0.872 nan 8.240 nan 0.000 0.504 174 D N 1.115 121.451 120.400 -0.107 0.000 2.332 174 D HA 0.348 4.939 4.640 -0.081 0.000 0.252 174 D C 0.710 176.858 176.300 -0.253 0.000 1.050 174 D CA -0.727 53.179 54.000 -0.158 0.000 0.970 174 D CB 1.445 42.166 40.800 -0.132 0.000 1.141 174 D HN 0.508 nan 8.370 nan 0.000 0.485 175 R N -0.314 119.990 120.500 -0.327 0.000 2.189 175 R HA -0.015 4.277 4.340 -0.081 0.000 0.218 175 R C 1.942 178.011 176.300 -0.385 0.000 1.074 175 R CA 0.963 56.735 56.100 -0.547 0.000 0.991 175 R CB -0.176 29.855 30.300 -0.448 0.000 0.883 175 R HN 0.522 nan 8.270 nan 0.000 0.457 176 T N 0.938 115.355 114.554 -0.228 0.000 2.701 176 T HA -0.160 4.141 4.350 -0.081 0.000 0.263 176 T C 1.542 176.143 174.700 -0.164 0.000 1.040 176 T CA 1.715 63.715 62.100 -0.167 0.000 1.147 176 T CB -0.374 68.406 68.868 -0.146 0.000 0.865 176 T HN 0.277 nan 8.240 nan 0.000 0.426 177 N N 1.534 120.137 118.700 -0.161 0.000 2.120 177 N HA -0.067 4.625 4.740 -0.081 0.000 0.188 177 N C 1.926 177.391 175.510 -0.075 0.000 1.024 177 N CA 1.567 54.545 53.050 -0.120 0.000 0.852 177 N CB -0.511 37.920 38.487 -0.093 0.000 1.003 177 N HN 0.347 nan 8.380 nan 0.000 0.424 178 A N -0.250 122.478 122.820 -0.153 0.000 1.917 178 A HA -0.151 4.121 4.320 -0.081 0.000 0.219 178 A C 2.353 179.931 177.584 -0.009 0.000 1.182 178 A CA 2.071 54.034 52.037 -0.124 0.000 0.633 178 A CB -1.061 17.523 19.000 -0.693 0.000 0.819 178 A HN 0.399 nan 8.150 nan 0.000 0.448 179 S N -0.292 115.372 115.700 -0.060 0.000 2.387 179 S HA -0.201 4.220 4.470 -0.081 0.000 0.230 179 S C 2.171 176.901 174.600 0.217 0.000 1.035 179 S CA 2.061 60.362 58.200 0.169 0.000 1.014 179 S CB -0.807 62.463 63.200 0.116 0.000 0.836 179 S HN 0.937 nan 8.310 nan 0.000 0.466 180 T N 0.564 115.213 114.554 0.158 0.000 2.962 180 T HA -0.090 4.211 4.350 -0.081 0.000 0.270 180 T C 1.861 176.728 174.700 0.279 0.000 1.088 180 T CA 1.585 63.836 62.100 0.251 0.000 1.127 180 T CB -0.894 67.966 68.868 -0.015 0.000 0.883 180 T HN 0.577 nan 8.240 nan 0.000 0.493 181 T N -1.733 112.949 114.554 0.213 0.000 3.023 181 T HA 0.310 4.612 4.350 -0.081 0.000 0.266 181 T C 2.005 176.805 174.700 0.167 0.000 1.093 181 T CA 0.754 62.968 62.100 0.189 0.000 1.129 181 T CB -0.919 68.076 68.868 0.211 0.000 0.899 181 T HN 1.060 nan 8.240 nan 0.000 0.491 182 G N 1.112 110.023 108.800 0.185 0.000 2.160 182 G HA2 -0.210 3.702 3.960 -0.081 0.000 0.251 182 G HA3 -0.210 3.702 3.960 -0.081 0.000 0.251 182 G C 0.464 175.456 174.900 0.153 0.000 1.008 182 G CA 0.458 45.638 45.100 0.134 0.000 0.724 182 G HN 0.597 nan 8.290 nan 0.000 0.514 183 L N -1.504 119.879 121.223 0.266 0.000 2.966 183 L HA 0.408 4.700 4.340 -0.081 0.000 0.262 183 L C 0.509 177.723 176.870 0.573 0.000 1.165 183 L CA -0.475 54.580 54.840 0.359 0.000 0.978 183 L CB 0.451 42.701 42.059 0.319 0.000 1.337 183 L HN 0.274 nan 8.230 nan 0.000 0.563 184 Y N 1.271 121.731 120.300 0.266 0.000 2.393 184 Y HA 0.498 4.999 4.550 -0.081 0.000 0.341 184 Y C -0.199 175.689 175.900 -0.021 0.000 0.988 184 Y CA -1.190 56.943 58.100 0.055 0.000 1.078 184 Y CB 1.043 39.423 38.460 -0.132 0.000 1.203 184 Y HN -0.081 nan 8.280 nan 0.000 0.453 185 R N 7.759 127.867 120.500 -0.653 0.000 2.233 185 R HA 0.248 4.539 4.340 -0.081 0.000 0.334 185 R C -2.216 173.496 176.300 -0.981 0.000 1.037 185 R CA -1.646 54.070 56.100 -0.641 0.000 0.920 185 R CB 1.021 31.054 30.300 -0.445 0.000 1.137 185 R HN 0.534 nan 8.270 nan 0.000 0.492 186 P HA -0.155 nan 4.420 nan 0.000 0.217 186 P C 0.762 177.841 177.300 -0.368 0.000 1.150 186 P CA 0.999 63.735 63.100 -0.606 0.000 0.832 186 P CB 0.371 31.922 31.700 -0.249 0.000 0.787 187 K N -0.467 119.750 120.400 -0.304 0.000 2.217 187 K HA -0.071 4.201 4.320 -0.081 0.000 0.202 187 K C 1.052 177.536 176.600 -0.193 0.000 1.051 187 K CA 1.193 57.357 56.287 -0.205 0.000 0.952 187 K CB -0.763 31.634 32.500 -0.171 0.000 0.736 187 K HN 0.189 nan 8.250 nan 0.000 0.453 188 D N 0.465 120.719 120.400 -0.245 0.000 2.348 188 D HA -0.078 4.514 4.640 -0.081 0.000 0.211 188 D C -0.121 176.059 176.300 -0.200 0.000 0.998 188 D CA 0.261 54.142 54.000 -0.199 0.000 0.873 188 D CB -0.150 40.530 40.800 -0.201 0.000 0.925 188 D HN 0.100 nan 8.370 nan 0.000 0.524 189 D N -0.193 120.037 120.400 -0.284 0.000 2.697 189 D HA -0.178 4.414 4.640 -0.081 0.000 0.238 189 D C -0.910 175.296 176.300 -0.157 0.000 1.152 189 D CA 0.879 54.764 54.000 -0.192 0.000 0.666 189 D CB -0.943 39.820 40.800 -0.063 0.000 1.037 189 D HN 0.265 nan 8.370 nan 0.000 0.423 190 A N 0.093 122.731 122.820 -0.303 0.000 2.612 190 A HA 0.578 4.850 4.320 -0.081 0.000 0.293 190 A C -0.736 176.737 177.584 -0.185 0.000 1.075 190 A CA -0.751 51.166 52.037 -0.200 0.000 0.680 190 A CB 0.584 19.530 19.000 -0.090 0.000 1.279 190 A HN 0.162 nan 8.150 nan 0.000 0.411 191 W N 0.141 121.523 121.300 0.136 0.000 2.137 191 W HA 0.323 4.934 4.660 -0.081 0.000 0.344 191 W C 0.931 177.523 176.519 0.121 0.000 1.286 191 W CA 0.633 58.073 57.345 0.158 0.000 1.240 191 W CB 0.283 29.829 29.460 0.144 0.000 1.141 191 W HN 0.797 nan 8.180 nan 0.000 0.579 192 H N 2.012 121.272 119.070 0.316 0.000 3.216 192 H HA 0.080 4.588 4.556 -0.081 0.000 0.263 192 H C 0.977 176.411 175.328 0.177 0.000 1.601 192 H CA -0.429 55.718 56.048 0.164 0.000 1.509 192 H CB 0.304 30.133 29.762 0.113 0.000 1.759 192 H HN 0.349 nan 8.280 nan 0.000 0.533 193 V N 3.870 124.002 119.914 0.363 0.000 2.332 193 V HA -0.287 3.784 4.120 -0.081 0.000 0.248 193 V C 2.554 178.811 176.094 0.272 0.000 1.055 193 V CA 2.175 64.642 62.300 0.278 0.000 1.038 193 V CB -0.309 31.632 31.823 0.197 0.000 0.651 193 V HN 0.825 nan 8.190 nan 0.000 0.450 194 E N 0.523 120.927 120.200 0.340 0.000 2.216 194 E HA -0.177 4.125 4.350 -0.081 0.000 0.192 194 E C 2.169 178.908 176.600 0.232 0.000 0.988 194 E CA 1.099 57.658 56.400 0.265 0.000 0.834 194 E CB -0.401 29.440 29.700 0.235 0.000 0.772 194 E HN 0.494 nan 8.360 nan 0.000 0.479 195 L N 1.033 122.313 121.223 0.095 0.000 2.027 195 L HA -0.067 4.225 4.340 -0.081 0.000 0.206 195 L C 2.461 179.385 176.870 0.091 0.000 1.074 195 L CA 1.421 56.135 54.840 -0.209 0.000 0.745 195 L CB -0.577 40.900 42.059 -0.971 0.000 0.898 195 L HN 0.095 nan 8.230 nan 0.000 0.433 196 L N -0.488 120.825 121.223 0.151 0.000 2.046 196 L HA -0.182 4.110 4.340 -0.081 0.000 0.208 196 L C 2.674 179.714 176.870 0.284 0.000 1.077 196 L CA 1.309 56.313 54.840 0.275 0.000 0.747 196 L CB -0.883 41.319 42.059 0.237 0.000 0.896 196 L HN 0.388 nan 8.230 nan 0.000 0.432 197 A N -0.407 122.532 122.820 0.198 0.000 1.933 197 A HA -0.283 3.988 4.320 -0.081 0.000 0.218 197 A C 1.958 179.585 177.584 0.072 0.000 1.175 197 A CA 2.013 54.127 52.037 0.128 0.000 0.628 197 A CB -0.634 18.433 19.000 0.112 0.000 0.814 197 A HN 0.443 nan 8.150 nan 0.000 0.444 198 D N -1.850 118.609 120.400 0.097 0.000 2.218 198 D HA -0.153 4.438 4.640 -0.081 0.000 0.204 198 D C 1.006 177.158 176.300 -0.247 0.000 0.976 198 D CA 1.155 55.136 54.000 -0.033 0.000 0.853 198 D CB -0.203 40.642 40.800 0.076 0.000 0.939 198 D HN 0.578 nan 8.370 nan 0.000 0.481 199 Y N -1.140 119.153 120.300 -0.011 0.000 2.485 199 Y HA 0.341 4.842 4.550 -0.080 0.000 0.260 199 Y C 1.627 177.221 175.900 -0.511 0.000 1.173 199 Y CA 0.234 58.246 58.100 -0.146 0.000 1.252 199 Y CB 0.878 39.360 38.460 0.037 0.000 1.123 199 Y HN 0.043 nan 8.280 nan 0.000 0.524 200 G N -0.081 108.568 108.800 -0.253 0.000 2.149 200 G HA2 -0.279 3.633 3.960 -0.081 0.000 0.235 200 G HA3 -0.279 3.633 3.960 -0.081 0.000 0.235 200 G C -0.475 174.231 174.900 -0.324 0.000 1.018 200 G CA -0.404 44.521 45.100 -0.292 0.000 0.728 200 G HN 0.158 nan 8.290 nan 0.000 0.508 201 F N 1.037 121.085 119.950 0.163 0.000 2.444 201 F HA 0.713 5.191 4.527 -0.081 0.000 0.342 201 F C 0.743 176.609 175.800 0.111 0.000 1.121 201 F CA -0.963 57.135 58.000 0.165 0.000 0.997 201 F CB 2.044 41.139 39.000 0.158 0.000 1.130 201 F HN 0.086 nan 8.300 nan 0.000 0.454 202 S N 3.231 119.098 115.700 0.278 0.000 2.565 202 S HA 0.257 4.679 4.470 -0.081 0.000 0.276 202 S C 1.311 175.987 174.600 0.126 0.000 1.326 202 S CA -0.627 57.670 58.200 0.162 0.000 1.045 202 S CB 0.517 63.786 63.200 0.114 0.000 0.918 202 S HN 0.750 nan 8.310 nan 0.000 0.505 203 L N 2.830 124.113 121.223 0.099 0.000 2.265 203 L HA -0.085 4.206 4.340 -0.081 0.000 0.215 203 L C 1.423 178.308 176.870 0.026 0.000 1.117 203 L CA 0.990 55.866 54.840 0.060 0.000 0.782 203 L CB -0.486 41.640 42.059 0.112 0.000 0.914 203 L HN 0.686 nan 8.230 nan 0.000 0.441 204 D N 0.134 120.562 120.400 0.048 0.000 2.309 204 D HA -0.064 4.527 4.640 -0.081 0.000 0.212 204 D C 1.214 177.528 176.300 0.024 0.000 0.968 204 D CA 0.673 54.697 54.000 0.040 0.000 0.882 204 D CB -0.019 40.800 40.800 0.032 0.000 0.918 204 D HN 0.264 nan 8.370 nan 0.000 0.503 208 R N 0.953 121.442 120.500 -0.019 0.000 2.537 208 R HA 0.397 4.689 4.340 -0.081 0.000 0.280 208 R C -0.394 175.934 176.300 0.047 0.000 1.058 208 R CA 0.087 56.230 56.100 0.073 0.000 1.057 208 R CB -0.364 29.951 30.300 0.025 0.000 0.973 208 R HN 0.459 nan 8.270 nan 0.000 0.438 209 L N 6.061 127.303 121.223 0.032 0.000 2.313 209 L HA 0.319 4.611 4.340 -0.081 0.000 0.282 209 L C -0.198 176.623 176.870 -0.081 0.000 1.092 209 L CA -0.078 54.709 54.840 -0.088 0.000 0.831 209 L CB 0.317 42.244 42.059 -0.221 0.000 1.159 209 L HN 0.463 nan 8.230 nan 0.000 0.442 210 L N 2.659 123.827 121.223 -0.092 0.000 2.371 210 L HA 0.488 4.780 4.340 -0.081 0.000 0.262 210 L C -0.165 176.649 176.870 -0.093 0.000 1.006 210 L CA -1.078 53.714 54.840 -0.079 0.000 0.818 210 L CB 2.228 44.249 42.059 -0.063 0.000 1.354 210 L HN 0.482 nan 8.230 nan 0.000 0.415 211 E N 1.521 121.673 120.200 -0.081 0.000 2.390 211 E HA 0.103 4.405 4.350 -0.081 0.000 0.261 211 E C -1.801 174.749 176.600 -0.083 0.000 1.076 211 E CA -1.582 54.768 56.400 -0.083 0.000 0.905 211 E CB 0.833 30.490 29.700 -0.072 0.000 0.984 211 E HN 0.300 nan 8.360 nan 0.000 0.427 212 P HA -0.114 nan 4.420 nan 0.000 0.216 212 P C 1.103 178.352 177.300 -0.085 0.000 1.150 212 P CA 1.454 64.502 63.100 -0.086 0.000 0.837 212 P CB 0.212 31.860 31.700 -0.087 0.000 0.786 213 G N -1.036 107.711 108.800 -0.089 0.000 2.920 213 G HA2 -0.061 3.851 3.960 -0.081 0.000 0.208 213 G HA3 -0.061 3.851 3.960 -0.081 0.000 0.208 213 G C 0.400 175.249 174.900 -0.086 0.000 1.159 213 G CA -0.054 44.989 45.100 -0.096 0.000 0.784 213 G HN 0.269 nan 8.290 nan 0.000 0.535 214 E N 0.354 120.509 120.200 -0.075 0.000 2.373 214 E HA 0.131 4.432 4.350 -0.081 0.000 0.267 214 E C -0.071 176.491 176.600 -0.063 0.000 1.032 214 E CA -0.235 56.126 56.400 -0.065 0.000 0.889 214 E CB 0.879 30.544 29.700 -0.058 0.000 0.984 214 E HN 0.263 nan 8.360 nan 0.000 0.425 215 Q N 2.430 122.196 119.800 -0.057 0.000 2.295 215 Q HA 0.065 4.356 4.340 -0.081 0.000 0.259 215 Q C 0.424 176.397 176.000 -0.046 0.000 0.976 215 Q CA -0.379 55.392 55.803 -0.054 0.000 0.923 215 Q CB 1.058 29.767 28.738 -0.048 0.000 1.185 215 Q HN 0.442 nan 8.270 nan 0.000 0.410 216 V N 3.362 123.247 119.914 -0.048 0.000 2.379 216 V HA 0.134 4.206 4.120 -0.081 0.000 0.245 216 V C 0.970 177.042 176.094 -0.036 0.000 1.044 216 V CA 1.562 63.837 62.300 -0.043 0.000 1.036 216 V CB -0.246 31.547 31.823 -0.049 0.000 0.664 216 V HN 0.944 nan 8.190 nan 0.000 0.453 217 G N -2.020 106.757 108.800 -0.038 0.000 2.342 217 G HA2 0.502 4.414 3.960 -0.081 0.000 0.297 217 G HA3 0.502 4.414 3.960 -0.081 0.000 0.297 217 G C -0.625 174.256 174.900 -0.032 0.000 1.313 217 G CA -0.209 44.873 45.100 -0.029 0.000 0.830 217 G HN 0.453 nan 8.290 nan 0.000 0.506 218 G N -1.325 107.462 108.800 -0.021 0.000 2.477 218 G HA2 0.584 4.496 3.960 -0.081 0.000 0.304 218 G HA3 0.584 4.496 3.960 -0.081 0.000 0.304 218 G C 0.081 174.973 174.900 -0.013 0.000 1.175 218 G CA -0.368 44.721 45.100 -0.017 0.000 0.907 218 G HN 1.109 nan 8.290 nan 0.000 0.509 219 V N 1.289 121.198 119.914 -0.008 0.000 2.557 219 V HA 0.125 4.196 4.120 -0.081 0.000 0.301 219 V C 1.239 177.355 176.094 0.037 0.000 1.026 219 V CA 0.174 62.486 62.300 0.020 0.000 1.137 219 V CB 0.316 32.174 31.823 0.058 0.000 0.917 219 V HN 0.950 nan 8.190 nan 0.000 0.484 220 S N 4.789 120.511 115.700 0.037 0.000 2.624 220 S HA 0.473 4.894 4.470 -0.081 0.000 0.263 220 S C 1.391 176.021 174.600 0.049 0.000 1.287 220 S CA -0.104 58.116 58.200 0.033 0.000 0.990 220 S CB 1.450 64.663 63.200 0.022 0.000 0.950 220 S HN 1.032 nan 8.310 nan 0.000 0.561 221 A N 0.904 123.746 122.820 0.037 0.000 1.908 221 A HA -0.074 4.197 4.320 -0.081 0.000 0.218 221 A C 2.071 179.685 177.584 0.050 0.000 1.181 221 A CA 1.775 53.835 52.037 0.039 0.000 0.627 221 A CB -1.144 17.872 19.000 0.026 0.000 0.818 221 A HN 0.987 nan 8.150 nan 0.000 0.445 222 L N -0.236 121.015 121.223 0.046 0.000 2.017 222 L HA -0.064 4.227 4.340 -0.081 0.000 0.208 222 L C 2.623 179.550 176.870 0.094 0.000 1.073 222 L CA 2.412 57.285 54.840 0.055 0.000 0.745 222 L CB -0.888 41.192 42.059 0.036 0.000 0.894 222 L HN 0.328 nan 8.230 nan 0.000 0.432 223 A N -0.594 122.291 122.820 0.109 0.000 1.969 223 A HA -0.023 4.249 4.320 -0.081 0.000 0.218 223 A C 2.432 180.141 177.584 0.208 0.000 1.169 223 A CA 1.596 53.748 52.037 0.191 0.000 0.635 223 A CB -1.074 18.032 19.000 0.177 0.000 0.810 223 A HN 0.602 nan 8.150 nan 0.000 0.445 224 A N 0.001 122.916 122.820 0.157 0.000 1.898 224 A HA -0.148 4.123 4.320 -0.081 0.000 0.216 224 A C 2.226 179.873 177.584 0.106 0.000 1.181 224 A CA 1.382 53.510 52.037 0.150 0.000 0.620 224 A CB -0.455 18.604 19.000 0.098 0.000 0.819 224 A HN 0.539 nan 8.150 nan 0.000 0.442 225 R N -0.569 119.981 120.500 0.083 0.000 2.096 225 R HA -0.155 4.136 4.340 -0.081 0.000 0.235 225 R C 2.285 178.628 176.300 0.072 0.000 1.127 225 R CA 1.697 57.834 56.100 0.062 0.000 0.968 225 R CB -0.295 30.035 30.300 0.050 0.000 0.861 225 R HN 0.690 nan 8.270 nan 0.000 0.440 226 Q N -0.763 119.099 119.800 0.103 0.000 2.245 226 Q HA -0.055 4.236 4.340 -0.081 0.000 0.201 226 Q C 1.630 177.656 176.000 0.044 0.000 0.955 226 Q CA 1.680 57.537 55.803 0.090 0.000 0.870 226 Q CB 0.444 29.285 28.738 0.173 0.000 0.945 226 Q HN 0.442 nan 8.270 nan 0.000 0.461 227 T N -5.888 108.727 114.554 0.102 0.000 2.955 227 T HA 0.334 4.636 4.350 -0.081 0.000 0.251 227 T C 1.418 176.231 174.700 0.189 0.000 1.002 227 T CA 0.467 62.620 62.100 0.089 0.000 0.970 227 T CB 0.908 69.912 68.868 0.228 0.000 1.091 227 T HN 0.309 nan 8.240 nan 0.000 0.495 228 G N 1.182 110.072 108.800 0.151 0.000 2.179 228 G HA2 -0.211 3.700 3.960 -0.081 0.000 0.260 228 G HA3 -0.211 3.700 3.960 -0.081 0.000 0.260 228 G C -0.081 174.681 174.900 -0.230 0.000 0.977 228 G CA -0.077 45.022 45.100 -0.002 0.000 0.641 228 G HN 0.520 nan 8.290 nan 0.000 0.533 229 F N 0.465 120.526 119.950 0.184 0.000 2.496 229 F HA 0.446 4.924 4.527 -0.081 0.000 0.344 229 F C 1.333 177.107 175.800 -0.043 0.000 1.155 229 F CA -0.312 57.752 58.000 0.107 0.000 1.302 229 F CB 0.829 39.983 39.000 0.256 0.000 1.159 229 F HN -0.020 nan 8.300 nan 0.000 0.595 230 V N 2.465 122.475 119.914 0.161 0.000 2.521 230 V HA 0.020 4.091 4.120 -0.081 0.000 0.286 230 V C 0.424 176.576 176.094 0.097 0.000 1.034 230 V CA -0.449 61.888 62.300 0.062 0.000 1.045 230 V CB 0.953 32.792 31.823 0.026 0.000 0.974 230 V HN 0.783 nan 8.190 nan 0.000 0.480 231 S N 4.154 119.894 115.700 0.067 0.000 2.546 231 S HA 0.384 4.805 4.470 -0.081 0.000 0.290 231 S C 1.288 175.914 174.600 0.044 0.000 1.290 231 S CA 0.716 58.952 58.200 0.059 0.000 1.069 231 S CB 0.059 63.285 63.200 0.043 0.000 0.846 231 S HN 1.737 nan 8.310 nan 0.000 0.495 232 G N 3.268 112.090 108.800 0.036 0.000 2.213 232 G HA2 -0.221 3.690 3.960 -0.081 0.000 0.236 232 G HA3 -0.221 3.690 3.960 -0.081 0.000 0.236 232 G C 0.254 175.167 174.900 0.022 0.000 0.991 232 G CA 0.109 45.224 45.100 0.024 0.000 0.629 232 G HN 0.915 nan 8.290 nan 0.000 0.517 233 T N 3.838 118.412 114.554 0.032 0.000 2.902 233 T HA 0.427 4.728 4.350 -0.081 0.000 0.301 233 T C -2.107 172.582 174.700 -0.019 0.000 1.012 233 T CA 0.026 62.140 62.100 0.024 0.000 1.151 233 T CB 1.276 70.165 68.868 0.035 0.000 0.946 233 T HN 0.117 nan 8.240 nan 0.000 0.542 234 P HA 0.193 nan 4.420 nan 0.000 0.267 234 P C -0.925 176.334 177.300 -0.069 0.000 1.205 234 P CA -0.234 62.840 63.100 -0.044 0.000 0.765 234 P CB 0.458 32.130 31.700 -0.047 0.000 0.828 235 V N 5.422 125.293 119.914 -0.072 0.000 2.357 235 V HA 0.277 4.348 4.120 -0.081 0.000 0.284 235 V C 0.468 176.521 176.094 -0.069 0.000 1.018 235 V CA -0.515 61.736 62.300 -0.083 0.000 0.841 235 V CB 0.933 32.701 31.823 -0.092 0.000 0.991 235 V HN 0.381 nan 8.190 nan 0.000 0.437 236 L N 3.155 124.338 121.223 -0.068 0.000 2.439 236 L HA 0.320 4.612 4.340 -0.081 0.000 0.259 236 L C 1.607 178.440 176.870 -0.062 0.000 1.129 236 L CA -0.360 54.439 54.840 -0.069 0.000 0.803 236 L CB 0.937 42.948 42.059 -0.080 0.000 1.161 236 L HN 0.805 nan 8.230 nan 0.000 0.462 237 C N 0.645 119.906 119.300 -0.064 0.000 2.440 237 C HA 0.139 4.550 4.460 -0.081 0.000 0.278 237 C C 1.476 176.430 174.990 -0.060 0.000 1.295 237 C CA 0.695 59.676 59.018 -0.062 0.000 1.738 237 C CB -1.377 26.322 27.740 -0.068 0.000 1.987 237 C HN 1.059 nan 8.230 nan 0.000 0.492 238 G N 0.549 109.311 108.800 -0.063 0.000 2.645 238 G HA2 -0.148 3.764 3.960 -0.081 0.000 0.246 238 G HA3 -0.148 3.764 3.960 -0.081 0.000 0.246 238 G C -0.590 174.267 174.900 -0.071 0.000 1.322 238 G CA 0.188 45.253 45.100 -0.059 0.000 0.898 238 G HN 1.660 nan 8.290 nan 0.000 0.573 239 L N -3.586 117.595 121.223 -0.070 0.000 2.720 239 L HA 0.827 5.119 4.340 -0.081 0.000 0.261 239 L C 0.583 177.396 176.870 -0.096 0.000 1.046 239 L CA -0.646 54.140 54.840 -0.089 0.000 0.886 239 L CB 1.183 43.184 42.059 -0.096 0.000 1.493 239 L HN 1.991 nan 8.230 nan 0.000 0.407 240 G N 0.603 109.331 108.800 -0.121 0.000 2.559 240 G HA2 0.130 4.041 3.960 -0.081 0.000 0.235 240 G HA3 0.130 4.041 3.960 -0.081 0.000 0.235 240 G C 0.496 175.310 174.900 -0.142 0.000 1.266 240 G CA 0.521 45.533 45.100 -0.147 0.000 0.847 240 G HN 1.020 nan 8.290 nan 0.000 0.583 241 D N 1.067 121.377 120.400 -0.151 0.000 2.149 241 D HA -0.169 4.423 4.640 -0.081 0.000 0.198 241 D C 2.302 178.543 176.300 -0.098 0.000 0.990 241 D CA 1.533 55.471 54.000 -0.104 0.000 0.839 241 D CB -0.577 40.169 40.800 -0.092 0.000 0.948 241 D HN 0.432 nan 8.370 nan 0.000 0.460 242 A N 0.792 123.484 122.820 -0.213 0.000 1.908 242 A HA 0.039 4.311 4.320 -0.081 0.000 0.218 242 A C 2.458 179.961 177.584 -0.136 0.000 1.181 242 A CA 2.154 54.048 52.037 -0.240 0.000 0.627 242 A CB -1.393 17.223 19.000 -0.641 0.000 0.818 242 A HN 0.399 nan 8.150 nan 0.000 0.445 243 G N -0.709 108.002 108.800 -0.147 0.000 2.404 243 G HA2 0.045 3.956 3.960 -0.081 0.000 0.215 243 G HA3 0.045 3.956 3.960 -0.081 0.000 0.215 243 G C 1.751 176.606 174.900 -0.076 0.000 1.174 243 G CA 1.374 46.409 45.100 -0.107 0.000 0.780 243 G HN 0.797 nan 8.290 nan 0.000 0.537 244 A N 1.033 123.817 122.820 -0.061 0.000 1.930 244 A HA 0.340 4.612 4.320 -0.081 0.000 0.217 244 A C 2.773 180.359 177.584 0.003 0.000 1.175 244 A CA 2.129 54.149 52.037 -0.028 0.000 0.627 244 A CB -0.666 18.325 19.000 -0.015 0.000 0.815 244 A HN 0.713 nan 8.150 nan 0.000 0.443 245 A N -0.171 122.659 122.820 0.016 0.000 1.898 245 A HA -0.064 4.207 4.320 -0.081 0.000 0.216 245 A C 2.448 180.005 177.584 -0.045 0.000 1.181 245 A CA 2.410 54.493 52.037 0.076 0.000 0.620 245 A CB -1.358 17.740 19.000 0.164 0.000 0.819 245 A HN 0.712 nan 8.150 nan 0.000 0.442 246 T N -1.201 113.229 114.554 -0.206 0.000 2.777 246 T HA -0.073 4.229 4.350 -0.081 0.000 0.266 246 T C 1.856 176.511 174.700 -0.074 0.000 1.040 246 T CA 1.377 63.322 62.100 -0.259 0.000 1.141 246 T CB -0.630 68.081 68.868 -0.262 0.000 0.868 246 T HN 0.270 nan 8.240 nan 0.000 0.444 247 L N 1.162 122.356 121.223 -0.049 0.000 2.042 247 L HA 0.029 4.320 4.340 -0.081 0.000 0.210 247 L C 3.180 180.053 176.870 0.005 0.000 1.076 247 L CA 1.496 56.324 54.840 -0.018 0.000 0.749 247 L CB -1.089 40.955 42.059 -0.024 0.000 0.893 247 L HN 0.505 nan 8.230 nan 0.000 0.432 248 G N -0.406 108.404 108.800 0.017 0.000 2.448 248 G HA2 -0.166 3.746 3.960 -0.081 0.000 0.219 248 G HA3 -0.166 3.746 3.960 -0.081 0.000 0.219 248 G C 1.321 176.211 174.900 -0.018 0.000 1.127 248 G CA 1.020 46.147 45.100 0.044 0.000 0.766 248 G HN 0.394 nan 8.290 nan 0.000 0.552 249 V N -3.092 116.786 119.914 -0.060 0.000 3.444 249 V HA 0.620 4.692 4.120 -0.081 0.000 0.308 249 V C 1.357 177.429 176.094 -0.037 0.000 1.371 249 V CA 0.269 62.497 62.300 -0.120 0.000 1.141 249 V CB -0.431 31.277 31.823 -0.191 0.000 1.037 249 V HN 1.003 nan 8.190 nan 0.000 0.433 250 G N 0.394 109.191 108.800 -0.005 0.000 2.149 250 G HA2 -0.195 3.717 3.960 -0.081 0.000 0.235 250 G HA3 -0.195 3.717 3.960 -0.081 0.000 0.235 250 G C -0.012 174.897 174.900 0.015 0.000 1.018 250 G CA 0.009 45.115 45.100 0.009 0.000 0.728 250 G HN 0.879 nan 8.290 nan 0.000 0.508 251 V N 1.351 121.277 119.914 0.021 0.000 2.326 251 V HA 0.384 4.456 4.120 -0.081 0.000 0.249 251 V C 1.436 177.539 176.094 0.015 0.000 1.114 251 V CA 0.625 62.943 62.300 0.030 0.000 1.028 251 V CB 0.487 32.337 31.823 0.044 0.000 1.170 251 V HN 0.422 nan 8.190 nan 0.000 0.494 252 L N 1.426 122.658 121.223 0.016 0.000 2.948 252 L HA 0.444 4.736 4.340 -0.081 0.000 0.259 252 L C 0.251 177.128 176.870 0.012 0.000 1.136 252 L CA 0.157 55.004 54.840 0.010 0.000 0.959 252 L CB 0.650 42.717 42.059 0.012 0.000 1.370 252 L HN 0.445 nan 8.230 nan 0.000 0.552 253 D N 0.051 120.461 120.400 0.018 0.000 2.350 253 D HA 0.220 4.811 4.640 -0.081 0.000 0.238 253 D C -0.890 175.423 176.300 0.022 0.000 0.989 253 D CA -0.495 53.516 54.000 0.018 0.000 0.921 253 D CB 1.924 42.734 40.800 0.018 0.000 1.297 253 D HN -0.148 nan 8.370 nan 0.000 0.490 254 D N 1.613 122.026 120.400 0.021 0.000 2.493 254 D HA -0.008 4.584 4.640 -0.081 0.000 0.240 254 D C 0.685 177.002 176.300 0.028 0.000 1.142 254 D CA 0.859 54.874 54.000 0.025 0.000 0.872 254 D CB 0.467 41.280 40.800 0.022 0.000 1.173 254 D HN 0.303 nan 8.370 nan 0.000 0.467 255 E N -0.410 119.811 120.200 0.035 0.000 3.628 255 E HA -0.168 4.134 4.350 -0.081 0.000 0.309 255 E C -0.482 176.140 176.600 0.036 0.000 0.839 255 E CA 0.656 57.078 56.400 0.037 0.000 1.123 255 E CB -1.344 28.375 29.700 0.031 0.000 1.568 255 E HN 0.509 nan 8.360 nan 0.000 0.440 256 D N 0.293 120.716 120.400 0.038 0.000 2.357 256 D HA 0.560 5.151 4.640 -0.081 0.000 0.242 256 D C 0.340 176.676 176.300 0.061 0.000 1.153 256 D CA 0.832 54.856 54.000 0.041 0.000 0.918 256 D CB 0.972 41.796 40.800 0.039 0.000 1.181 256 D HN 0.293 nan 8.370 nan 0.000 0.435 257 A N 0.880 123.740 122.820 0.068 0.000 2.612 257 A HA 0.581 4.853 4.320 -0.081 0.000 0.293 257 A C -1.999 175.656 177.584 0.118 0.000 1.075 257 A CA -0.693 51.399 52.037 0.093 0.000 0.680 257 A CB 1.346 20.380 19.000 0.056 0.000 1.279 257 A HN 0.469 nan 8.150 nan 0.000 0.411 258 Y N 0.436 120.707 120.300 -0.048 0.000 2.470 258 Y HA 0.656 5.159 4.550 -0.080 0.000 0.341 258 Y C -1.809 173.964 175.900 -0.212 0.000 1.021 258 Y CA -0.946 57.073 58.100 -0.135 0.000 1.025 258 Y CB 1.951 40.337 38.460 -0.123 0.000 1.266 258 Y HN 0.901 nan 8.280 nan 0.000 0.448 259 L N 6.156 127.007 121.223 -0.619 0.000 2.406 259 L HA 0.453 4.745 4.340 -0.081 0.000 0.272 259 L C -1.878 174.525 176.870 -0.778 0.000 0.980 259 L CA -0.475 54.050 54.840 -0.525 0.000 0.831 259 L CB 1.364 43.203 42.059 -0.368 0.000 1.253 259 L HN 0.817 nan 8.230 nan 0.000 0.406 260 H N 5.195 123.776 119.070 -0.815 0.000 2.597 260 H HA 0.516 5.023 4.556 -0.081 0.000 0.303 260 H C -1.013 174.109 175.328 -0.343 0.000 1.057 260 H CA -0.323 55.328 56.048 -0.662 0.000 1.261 260 H CB 0.846 30.065 29.762 -0.905 0.000 1.397 260 H HN 0.671 nan 8.280 nan 0.000 0.461 261 L N 6.258 127.230 121.223 -0.417 0.000 2.494 261 L HA 0.380 4.672 4.340 -0.081 0.000 0.251 261 L C 0.886 177.720 176.870 -0.060 0.000 1.119 261 L CA -0.381 54.352 54.840 -0.179 0.000 1.026 261 L CB 0.442 42.307 42.059 -0.323 0.000 1.370 261 L HN 0.765 nan 8.230 nan 0.000 0.426 262 G N -0.186 108.708 108.800 0.158 0.000 2.736 262 G HA2 0.220 4.132 3.960 -0.081 0.000 0.229 262 G HA3 0.220 4.132 3.960 -0.081 0.000 0.229 262 G C 0.788 175.834 174.900 0.244 0.000 1.380 262 G CA -0.007 45.221 45.100 0.212 0.000 1.040 262 G HN 0.264 nan 8.290 nan 0.000 0.568 263 T N 0.211 114.895 114.554 0.216 0.000 2.665 263 T HA -0.050 4.251 4.350 -0.081 0.000 0.268 263 T C 1.494 176.314 174.700 0.199 0.000 1.035 263 T CA 1.927 64.139 62.100 0.188 0.000 1.151 263 T CB -0.499 68.456 68.868 0.144 0.000 0.862 263 T HN 0.806 nan 8.240 nan 0.000 0.438 264 T N -1.423 113.264 114.554 0.222 0.000 2.938 264 T HA 0.745 5.046 4.350 -0.081 0.000 0.285 264 T C 0.029 174.922 174.700 0.322 0.000 1.028 264 T CA -0.424 61.823 62.100 0.244 0.000 1.005 264 T CB 2.306 71.304 68.868 0.215 0.000 1.157 264 T HN 0.331 nan 8.240 nan 0.000 0.550 265 G N -0.820 108.184 108.800 0.341 0.000 2.706 265 G HA2 0.689 4.601 3.960 -0.081 0.000 0.307 265 G HA3 0.689 4.601 3.960 -0.081 0.000 0.307 265 G C -2.012 173.170 174.900 0.469 0.000 1.307 265 G CA -0.905 44.423 45.100 0.379 0.000 0.790 265 G HN 1.100 nan 8.290 nan 0.000 0.503 266 W N -1.503 119.907 121.300 0.185 0.000 3.298 266 W HA 0.652 5.263 4.660 -0.081 0.000 0.302 266 W C -2.664 173.955 176.519 0.166 0.000 1.255 266 W CA -1.190 56.245 57.345 0.150 0.000 1.196 266 W CB 1.054 30.571 29.460 0.096 0.000 1.364 266 W HN 0.729 nan 8.180 nan 0.000 0.566 267 L N 2.787 124.246 121.223 0.393 0.000 2.365 267 L HA 0.910 5.202 4.340 -0.081 0.000 0.273 267 L C -0.779 176.304 176.870 0.355 0.000 1.000 267 L CA -0.556 54.429 54.840 0.240 0.000 0.819 267 L CB 1.503 43.658 42.059 0.159 0.000 1.284 267 L HN 0.683 nan 8.230 nan 0.000 0.418 268 A N 5.080 128.094 122.820 0.323 0.000 2.449 268 A HA 0.854 5.125 4.320 -0.081 0.000 0.302 268 A C -1.239 176.474 177.584 0.215 0.000 1.048 268 A CA -0.750 51.488 52.037 0.335 0.000 0.708 268 A CB 1.495 20.790 19.000 0.491 0.000 1.274 268 A HN 0.726 nan 8.150 nan 0.000 0.410 269 R N 2.145 122.749 120.500 0.173 0.000 2.513 269 R HA 0.591 4.883 4.340 -0.081 0.000 0.301 269 R C -1.933 174.430 176.300 0.105 0.000 0.968 269 R CA -0.655 55.519 56.100 0.124 0.000 0.872 269 R CB 1.271 31.637 30.300 0.110 0.000 1.177 269 R HN 0.681 nan 8.270 nan 0.000 0.444 270 L N 3.212 124.485 121.223 0.084 0.000 2.292 270 L HA 0.513 4.804 4.340 -0.081 0.000 0.284 270 L C -0.665 176.236 176.870 0.052 0.000 1.065 270 L CA 0.596 55.473 54.840 0.062 0.000 0.806 270 L CB 1.784 43.872 42.059 0.048 0.000 1.175 270 L HN 0.792 nan 8.230 nan 0.000 0.431 271 T N 2.594 117.175 114.554 0.045 0.000 2.792 271 T HA 0.324 4.625 4.350 -0.081 0.000 0.303 271 T C -1.251 173.466 174.700 0.029 0.000 1.310 271 T CA -0.628 61.495 62.100 0.039 0.000 1.007 271 T CB 1.148 70.045 68.868 0.048 0.000 1.335 271 T HN 0.651 nan 8.240 nan 0.000 0.504 272 Q N 1.564 121.379 119.800 0.024 0.000 2.361 272 Q HA 0.222 4.514 4.340 -0.081 0.000 0.276 272 Q C -0.051 175.957 176.000 0.014 0.000 1.022 272 Q CA 0.182 55.995 55.803 0.016 0.000 0.898 272 Q CB 0.386 29.132 28.738 0.014 0.000 1.246 272 Q HN 0.542 nan 8.270 nan 0.000 0.410 273 T N 3.424 117.981 114.554 0.005 0.000 2.902 273 T HA 0.082 4.383 4.350 -0.081 0.000 0.301 273 T C -0.150 174.548 174.700 -0.003 0.000 1.012 273 T CA -0.023 62.076 62.100 -0.002 0.000 1.151 273 T CB 0.138 68.999 68.868 -0.012 0.000 0.946 273 T HN 0.596 nan 8.240 nan 0.000 0.542 274 D N 2.161 122.559 120.400 -0.004 0.000 2.579 274 D HA 0.481 5.073 4.640 -0.081 0.000 0.257 274 D C -3.184 173.106 176.300 -0.016 0.000 1.176 274 D CA -2.382 51.616 54.000 -0.002 0.000 0.914 274 D CB 0.151 40.961 40.800 0.016 0.000 1.431 274 D HN 0.120 nan 8.370 nan 0.000 0.454 275 P HA 0.138 nan 4.420 nan 0.000 0.269 275 P C -0.148 177.145 177.300 -0.011 0.000 1.209 275 P CA -0.562 62.523 63.100 -0.025 0.000 0.776 275 P CB 0.617 32.311 31.700 -0.010 0.000 0.876 276 V N 2.814 122.700 119.914 -0.047 0.000 2.811 276 V HA 0.456 4.527 4.120 -0.081 0.000 0.302 276 V C 0.861 177.015 176.094 0.100 0.000 1.063 276 V CA 0.512 62.802 62.300 -0.018 0.000 1.088 276 V CB 0.701 32.378 31.823 -0.244 0.000 0.982 276 V HN 0.757 nan 8.190 nan 0.000 0.485 277 G N 4.015 112.948 108.800 0.221 0.000 2.543 277 G HA2 0.310 4.222 3.960 -0.081 0.000 0.267 277 G HA3 0.310 4.222 3.960 -0.081 0.000 0.267 277 G C -0.329 174.775 174.900 0.340 0.000 1.406 277 G CA -0.573 44.661 45.100 0.223 0.000 1.048 277 G HN 0.738 nan 8.290 nan 0.000 0.548 281 V N 0.988 120.789 119.914 -0.187 0.000 2.364 281 V HA 0.791 4.863 4.120 -0.081 0.000 0.272 281 V C 0.615 176.600 176.094 -0.183 0.000 1.036 281 V CA 0.516 62.717 62.300 -0.165 0.000 0.880 281 V CB 0.408 32.172 31.823 -0.099 0.000 0.991 281 V HN 1.167 nan 8.190 nan 0.000 0.460 282 G N 3.303 111.978 108.800 -0.208 0.000 3.233 282 G HA2 -0.073 3.838 3.960 -0.081 0.000 0.686 282 G HA3 -0.073 3.838 3.960 -0.081 0.000 0.686 282 G C -0.474 174.321 174.900 -0.175 0.000 1.153 282 G CA -0.759 44.218 45.100 -0.205 0.000 0.853 282 G HN 0.675 nan 8.290 nan 0.000 0.582 283 T N 3.226 117.705 114.554 -0.126 0.000 2.851 283 T HA 0.558 4.859 4.350 -0.081 0.000 0.298 283 T C 0.694 175.371 174.700 -0.039 0.000 0.977 283 T CA 0.056 62.088 62.100 -0.114 0.000 1.126 283 T CB 0.611 69.455 68.868 -0.040 0.000 0.916 283 T HN 0.503 nan 8.240 nan 0.000 0.529 284 I N 3.526 124.054 120.570 -0.069 0.000 2.534 284 I HA 0.389 4.510 4.170 -0.081 0.000 0.288 284 I C -0.633 175.561 176.117 0.129 0.000 1.077 284 I CA -0.790 60.574 61.300 0.107 0.000 1.051 284 I CB 1.671 39.754 38.000 0.139 0.000 1.234 284 I HN 0.560 nan 8.210 nan 0.000 0.425 285 F N 4.851 124.897 119.950 0.161 0.000 2.379 285 F HA 0.513 4.991 4.527 -0.081 0.000 0.332 285 F C 0.763 176.633 175.800 0.116 0.000 1.096 285 F CA -0.547 57.533 58.000 0.133 0.000 1.105 285 F CB 1.197 40.216 39.000 0.031 0.000 1.189 285 F HN 0.197 nan 8.300 nan 0.000 0.515 286 R N 3.526 124.169 120.500 0.237 0.000 2.358 286 R HA 0.424 4.715 4.340 -0.081 0.000 0.309 286 R C -1.500 174.860 176.300 0.100 0.000 1.026 286 R CA -0.496 55.681 56.100 0.128 0.000 0.909 286 R CB 0.960 31.279 30.300 0.033 0.000 1.153 286 R HN 0.546 nan 8.270 nan 0.000 0.515 287 L N 2.899 124.170 121.223 0.081 0.000 2.260 287 L HA 0.496 4.788 4.340 -0.081 0.000 0.289 287 L C 0.655 177.534 176.870 0.014 0.000 1.057 287 L CA -0.599 54.261 54.840 0.033 0.000 0.811 287 L CB 1.309 43.348 42.059 -0.034 0.000 1.184 287 L HN 0.592 nan 8.230 nan 0.000 0.429 288 A N 2.244 125.079 122.820 0.025 0.000 2.287 288 A HA 0.655 4.926 4.320 -0.081 0.000 0.273 288 A C 1.160 178.721 177.584 -0.038 0.000 1.091 288 A CA 0.488 52.537 52.037 0.020 0.000 0.817 288 A CB 0.610 19.680 19.000 0.116 0.000 1.069 288 A HN 1.049 nan 8.150 nan 0.000 0.492 289 G N -0.748 108.029 108.800 -0.039 0.000 2.176 289 G HA2 -0.242 3.669 3.960 -0.081 0.000 0.253 289 G HA3 -0.242 3.669 3.960 -0.081 0.000 0.253 289 G C 0.741 175.599 174.900 -0.070 0.000 0.979 289 G CA 0.590 45.648 45.100 -0.069 0.000 0.641 289 G HN 0.622 nan 8.290 nan 0.000 0.530 290 I N 0.045 120.580 120.570 -0.058 0.000 2.277 290 I HA 0.196 4.317 4.170 -0.081 0.000 0.243 290 I C 0.902 176.989 176.117 -0.049 0.000 1.094 290 I CA 0.912 62.177 61.300 -0.059 0.000 1.393 290 I CB -0.049 37.920 38.000 -0.052 0.000 1.078 290 I HN 0.057 nan 8.210 nan 0.000 0.417 291 I N 0.784 121.332 120.570 -0.037 0.000 2.533 291 I HA 0.321 4.443 4.170 -0.081 0.000 0.290 291 I C 0.129 176.229 176.117 -0.028 0.000 1.056 291 I CA -0.866 60.416 61.300 -0.031 0.000 1.057 291 I CB 1.593 39.581 38.000 -0.020 0.000 1.240 291 I HN -0.072 nan 8.210 nan 0.000 0.423 292 A N 3.838 126.639 122.820 -0.031 0.000 2.567 292 A HA 0.408 4.679 4.320 -0.081 0.000 0.240 292 A C 1.305 178.878 177.584 -0.018 0.000 1.053 292 A CA 1.035 53.056 52.037 -0.027 0.000 0.755 292 A CB -0.449 18.534 19.000 -0.028 0.000 0.978 292 A HN 1.589 nan 8.150 nan 0.000 0.507 293 G N 1.837 110.627 108.800 -0.017 0.000 2.184 293 G HA2 -0.236 3.675 3.960 -0.081 0.000 0.264 293 G HA3 -0.236 3.675 3.960 -0.081 0.000 0.264 293 G C 0.185 175.081 174.900 -0.007 0.000 0.975 293 G CA 0.952 46.045 45.100 -0.012 0.000 0.642 293 G HN 0.904 nan 8.290 nan 0.000 0.536 294 K N -0.202 120.194 120.400 -0.006 0.000 2.340 294 K HA 0.702 4.974 4.320 -0.081 0.000 0.244 294 K C -0.843 175.759 176.600 0.003 0.000 0.973 294 K CA -0.629 55.659 56.287 0.002 0.000 0.828 294 K CB 2.039 34.541 32.500 0.004 0.000 1.226 294 K HN 0.055 nan 8.250 nan 0.000 0.437 295 T N 1.503 116.065 114.554 0.014 0.000 2.876 295 T HA 0.327 4.628 4.350 -0.081 0.000 0.289 295 T C -1.289 173.433 174.700 0.037 0.000 1.014 295 T CA -0.683 61.429 62.100 0.021 0.000 0.986 295 T CB 1.202 70.083 68.868 0.023 0.000 1.021 295 T HN 0.294 nan 8.240 nan 0.000 0.458 296 L N 3.701 124.948 121.223 0.039 0.000 2.262 296 L HA 0.411 4.703 4.340 -0.081 0.000 0.288 296 L C -0.162 176.764 176.870 0.093 0.000 1.035 296 L CA -0.059 54.817 54.840 0.061 0.000 0.820 296 L CB 0.742 42.823 42.059 0.036 0.000 1.204 296 L HN 0.577 nan 8.230 nan 0.000 0.424 297 Q N 4.068 123.941 119.800 0.122 0.000 2.279 297 Q HA 0.538 4.829 4.340 -0.081 0.000 0.256 297 Q C -1.157 174.960 176.000 0.196 0.000 0.937 297 Q CA -0.514 55.385 55.803 0.160 0.000 0.933 297 Q CB 2.114 30.943 28.738 0.152 0.000 1.189 297 Q HN 0.484 nan 8.270 nan 0.000 0.417 298 V N 1.372 121.424 119.914 0.230 0.000 2.588 298 V HA 0.653 4.724 4.120 -0.081 0.000 0.304 298 V C -0.710 175.562 176.094 0.296 0.000 1.042 298 V CA -0.890 61.565 62.300 0.258 0.000 0.877 298 V CB 1.844 33.742 31.823 0.124 0.000 0.996 298 V HN 0.809 nan 8.190 nan 0.000 0.425 299 A N 6.833 129.830 122.820 0.295 0.000 2.267 299 A HA 0.865 5.137 4.320 -0.081 0.000 0.315 299 A C -2.736 175.028 177.584 0.300 0.000 1.297 299 A CA -1.696 50.498 52.037 0.262 0.000 0.865 299 A CB 0.881 20.006 19.000 0.208 0.000 1.165 299 A HN 0.555 nan 8.150 nan 0.000 0.513 300 P HA 0.362 nan 4.420 nan 0.000 0.285 300 P C -0.664 176.786 177.300 0.249 0.000 1.259 300 P CA -0.160 63.104 63.100 0.273 0.000 0.794 300 P CB 1.516 33.359 31.700 0.238 0.000 0.940 301 V N 5.239 125.320 119.914 0.279 0.000 2.407 301 V HA 0.209 4.280 4.120 -0.081 0.000 0.291 301 V C 1.384 177.630 176.094 0.253 0.000 1.018 301 V CA -0.299 62.157 62.300 0.259 0.000 0.842 301 V CB 1.453 33.445 31.823 0.281 0.000 0.996 301 V HN 0.469 nan 8.190 nan 0.000 0.426 302 L N 2.990 124.347 121.223 0.223 0.000 2.529 302 L HA 0.291 4.583 4.340 -0.081 0.000 0.223 302 L C 0.592 177.588 176.870 0.209 0.000 1.113 302 L CA 0.450 55.405 54.840 0.192 0.000 0.861 302 L CB 0.111 42.260 42.059 0.150 0.000 1.012 302 L HN 0.611 nan 8.230 nan 0.000 0.461 303 N N 0.479 119.348 118.700 0.282 0.000 2.511 303 N HA 0.486 5.178 4.740 -0.081 0.000 0.249 303 N C -0.040 175.659 175.510 0.315 0.000 0.971 303 N CA 0.168 53.401 53.050 0.306 0.000 0.938 303 N CB 2.290 40.988 38.487 0.351 0.000 1.131 303 N HN 0.087 nan 8.380 nan 0.000 0.505 304 A N 1.751 124.755 122.820 0.307 0.000 2.254 304 A HA 0.536 4.807 4.320 -0.081 0.000 0.186 304 A C 1.475 179.274 177.584 0.358 0.000 1.413 304 A CA 0.523 52.816 52.037 0.428 0.000 1.742 304 A CB -0.743 18.504 19.000 0.412 0.000 2.016 304 A HN 0.430 nan 8.150 nan 0.000 0.796 305 G N 1.256 110.285 108.800 0.382 0.000 2.448 305 G HA2 -0.212 3.699 3.960 -0.081 0.000 0.219 305 G HA3 -0.212 3.699 3.960 -0.081 0.000 0.219 305 G C 0.982 175.991 174.900 0.182 0.000 1.127 305 G CA 1.681 46.945 45.100 0.272 0.000 0.766 305 G HN 0.761 nan 8.290 nan 0.000 0.552 306 N N 1.024 119.841 118.700 0.195 0.000 2.364 306 N HA -0.089 4.603 4.740 -0.081 0.000 0.183 306 N C 1.713 177.382 175.510 0.264 0.000 1.022 306 N CA 0.819 53.993 53.050 0.207 0.000 0.883 306 N CB -0.277 38.293 38.487 0.139 0.000 0.965 306 N HN 0.264 nan 8.380 nan 0.000 0.438 307 I N 0.223 120.917 120.570 0.205 0.000 2.286 307 I HA -0.070 4.051 4.170 -0.081 0.000 0.245 307 I C 1.873 178.090 176.117 0.167 0.000 1.104 307 I CA 0.533 61.965 61.300 0.219 0.000 1.397 307 I CB -0.972 37.104 38.000 0.126 0.000 1.072 307 I HN 0.073 nan 8.210 nan 0.000 0.417 308 L N 0.199 121.414 121.223 -0.014 0.000 2.083 308 L HA -0.183 4.109 4.340 -0.081 0.000 0.209 308 L C 2.621 179.526 176.870 0.058 0.000 1.083 308 L CA 1.517 56.341 54.840 -0.027 0.000 0.752 308 L CB -0.998 41.031 42.059 -0.049 0.000 0.899 308 L HN 0.264 nan 8.230 nan 0.000 0.433 309 Q N -1.521 118.366 119.800 0.145 0.000 2.084 309 Q HA -0.270 4.022 4.340 -0.081 0.000 0.202 309 Q C 2.158 178.137 176.000 -0.035 0.000 0.978 309 Q CA 1.991 57.826 55.803 0.052 0.000 0.844 309 Q CB -0.368 28.471 28.738 0.167 0.000 0.898 309 Q HN 0.555 nan 8.270 nan 0.000 0.426 310 W N 0.388 121.679 121.300 -0.015 0.000 2.358 310 W HA -0.164 4.476 4.660 -0.033 0.000 0.303 310 W C 1.889 178.362 176.519 -0.076 0.000 1.208 310 W CA 1.979 59.320 57.345 -0.007 0.000 1.274 310 W CB -0.539 28.956 29.460 0.057 0.000 1.138 310 W HN 0.165 nan 8.180 nan 0.000 0.515 311 A N 0.503 123.115 122.820 -0.347 0.000 2.125 311 A HA -0.115 4.157 4.320 -0.081 0.000 0.219 311 A C 1.984 179.184 177.584 -0.639 0.000 1.156 311 A CA 1.437 53.054 52.037 -0.700 0.000 0.671 311 A CB -0.984 17.855 19.000 -0.269 0.000 0.794 311 A HN 0.453 nan 8.150 nan 0.000 0.459 312 L N -1.063 119.835 121.223 -0.541 0.000 2.265 312 L HA -0.145 4.147 4.340 -0.081 0.000 0.215 312 L C 2.698 179.286 176.870 -0.470 0.000 1.117 312 L CA 1.516 56.057 54.840 -0.497 0.000 0.782 312 L CB -0.912 40.757 42.059 -0.651 0.000 0.914 312 L HN 0.463 nan 8.230 nan 0.000 0.441 313 T N 0.347 114.561 114.554 -0.566 0.000 2.778 313 T HA -0.176 4.125 4.350 -0.081 0.000 0.269 313 T C 1.813 176.278 174.700 -0.391 0.000 1.050 313 T CA 1.316 63.134 62.100 -0.470 0.000 1.137 313 T CB -0.109 68.453 68.868 -0.510 0.000 0.860 313 T HN 0.269 nan 8.240 nan 0.000 0.468 314 L N 1.058 122.016 121.223 -0.442 0.000 2.291 314 L HA 0.049 4.341 4.340 -0.081 0.000 0.214 314 L C 2.193 178.956 176.870 -0.178 0.000 1.120 314 L CA 0.714 55.383 54.840 -0.285 0.000 0.799 314 L CB -0.309 41.577 42.059 -0.289 0.000 0.925 314 L HN 0.285 nan 8.230 nan 0.000 0.446 315 V N -3.917 115.896 119.914 -0.167 0.000 3.444 315 V HA 0.543 4.615 4.120 -0.081 0.000 0.308 315 V C 1.158 177.276 176.094 0.040 0.000 1.371 315 V CA 0.337 62.616 62.300 -0.036 0.000 1.141 315 V CB -0.138 31.698 31.823 0.023 0.000 1.037 315 V HN 0.436 nan 8.190 nan 0.000 0.433 316 G N -0.166 108.561 108.800 -0.122 0.000 2.184 316 G HA2 -0.231 3.681 3.960 -0.081 0.000 0.206 316 G HA3 -0.231 3.681 3.960 -0.081 0.000 0.206 316 G C 0.201 174.849 174.900 -0.420 0.000 0.995 316 G CA 0.171 45.201 45.100 -0.117 0.000 0.651 316 G HN 0.858 nan 8.290 nan 0.000 0.511 317 H N 1.457 119.931 119.070 -0.993 0.000 3.001 317 H HA 0.396 4.898 4.556 -0.092 0.000 0.334 317 H C 0.340 175.343 175.328 -0.541 0.000 1.034 317 H CA 0.540 55.859 56.048 -1.215 0.000 1.420 317 H CB 0.422 29.516 29.762 -1.114 0.000 1.405 317 H HN 0.398 nan 8.280 nan 0.000 0.593 318 R N 4.806 124.693 120.500 -1.022 0.000 2.740 318 R HA 0.199 4.491 4.340 -0.081 0.000 0.282 318 R C -1.765 174.097 176.300 -0.730 0.000 0.969 318 R CA -1.924 53.785 56.100 -0.652 0.000 0.918 318 R CB 1.323 31.424 30.300 -0.331 0.000 1.175 318 R HN 0.457 nan 8.270 nan 0.000 0.464 319 P HA -0.261 nan 4.420 nan 0.000 0.222 319 P C 0.966 178.207 177.300 -0.098 0.000 1.154 319 P CA 1.794 64.801 63.100 -0.154 0.000 0.874 319 P CB 0.200 31.856 31.700 -0.074 0.000 0.787 320 G N -1.804 106.925 108.800 -0.118 0.000 2.744 320 G HA2 -0.022 3.890 3.960 -0.081 0.000 0.211 320 G HA3 -0.022 3.890 3.960 -0.081 0.000 0.211 320 G C 0.364 175.269 174.900 0.009 0.000 1.146 320 G CA -0.062 45.019 45.100 -0.033 0.000 0.787 320 G HN 0.291 nan 8.290 nan 0.000 0.534 321 E N 0.721 120.896 120.200 -0.041 0.000 2.349 321 E HA 0.275 4.577 4.350 -0.081 0.000 0.262 321 E C -0.730 176.041 176.600 0.285 0.000 1.088 321 E CA -0.547 55.910 56.400 0.096 0.000 0.899 321 E CB 1.124 30.872 29.700 0.080 0.000 1.044 321 E HN 0.250 nan 8.360 nan 0.000 0.420 322 D N 0.408 120.949 120.400 0.235 0.000 2.399 322 D HA -0.034 4.558 4.640 -0.081 0.000 0.241 322 D C -0.075 176.403 176.300 0.297 0.000 1.133 322 D CA -0.216 53.913 54.000 0.215 0.000 0.890 322 D CB 0.727 41.607 40.800 0.134 0.000 1.201 322 D HN 0.310 nan 8.370 nan 0.000 0.432 323 C N 3.079 122.494 119.300 0.192 0.000 2.634 323 C HA 0.286 4.697 4.460 -0.081 0.000 0.268 323 C C 2.488 177.599 174.990 0.201 0.000 1.322 323 C CA 0.350 59.419 59.018 0.085 0.000 1.737 323 C CB -1.368 26.321 27.740 -0.085 0.000 1.976 323 C HN 0.816 nan 8.230 nan 0.000 0.547 324 A N 2.444 125.395 122.820 0.219 0.000 1.892 324 A HA -0.280 3.992 4.320 -0.081 0.000 0.218 324 A C 2.062 179.736 177.584 0.150 0.000 1.188 324 A CA 2.304 54.469 52.037 0.214 0.000 0.631 324 A CB -0.658 18.404 19.000 0.104 0.000 0.822 324 A HN 0.809 nan 8.150 nan 0.000 0.447 325 E N -1.807 118.395 120.200 0.003 0.000 2.152 325 E HA -0.196 4.105 4.350 -0.081 0.000 0.192 325 E C 1.742 178.263 176.600 -0.133 0.000 0.983 325 E CA 1.313 57.644 56.400 -0.114 0.000 0.818 325 E CB -0.546 28.984 29.700 -0.283 0.000 0.758 325 E HN 0.722 nan 8.360 nan 0.000 0.467 326 Y N 0.012 120.314 120.300 0.004 0.000 2.263 326 Y HA -0.039 4.461 4.550 -0.082 0.000 0.292 326 Y C 1.891 177.718 175.900 -0.122 0.000 1.130 326 Y CA 0.822 58.863 58.100 -0.099 0.000 1.179 326 Y CB -0.389 37.945 38.460 -0.211 0.000 0.998 326 Y HN -0.017 nan 8.280 nan 0.000 0.532 327 F N -0.815 119.200 119.950 0.108 0.000 2.171 327 F HA -0.133 4.354 4.527 -0.066 0.000 0.300 327 F C 1.766 177.600 175.800 0.055 0.000 1.090 327 F CA 1.184 59.215 58.000 0.051 0.000 1.293 327 F CB -1.066 37.958 39.000 0.038 0.000 1.013 327 F HN 0.090 nan 8.300 nan 0.000 0.486 331 A N 0.611 123.418 122.820 -0.022 0.000 1.902 331 A HA 0.310 4.581 4.320 -0.081 0.000 0.217 331 A C 2.334 179.868 177.584 -0.085 0.000 1.181 331 A CA 2.491 54.508 52.037 -0.035 0.000 0.623 331 A CB -0.895 18.093 19.000 -0.020 0.000 0.818 331 A HN 1.594 nan 8.150 nan 0.000 0.443 332 A N -0.491 122.233 122.820 -0.159 0.000 1.930 332 A HA -0.124 4.147 4.320 -0.081 0.000 0.217 332 A C 1.975 179.506 177.584 -0.088 0.000 1.175 332 A CA 1.707 53.649 52.037 -0.158 0.000 0.627 332 A CB -0.448 18.405 19.000 -0.246 0.000 0.815 332 A HN 0.645 nan 8.150 nan 0.000 0.443 333 E N 0.063 120.218 120.200 -0.074 0.000 2.204 333 E HA -0.110 4.191 4.350 -0.081 0.000 0.194 333 E C 1.646 178.223 176.600 -0.039 0.000 0.989 333 E CA 1.363 57.733 56.400 -0.050 0.000 0.824 333 E CB -0.071 29.601 29.700 -0.047 0.000 0.756 333 E HN 0.538 nan 8.360 nan 0.000 0.477 334 V N -1.061 118.831 119.914 -0.037 0.000 3.541 334 V HA 0.078 4.149 4.120 -0.081 0.000 0.267 334 V C 0.487 176.571 176.094 -0.016 0.000 1.213 334 V CA -0.071 62.215 62.300 -0.024 0.000 1.149 334 V CB -0.387 31.425 31.823 -0.019 0.000 0.822 334 V HN 0.056 nan 8.190 nan 0.000 0.462 335 Q N 1.583 121.370 119.800 -0.023 0.000 2.274 335 Q HA 0.412 4.703 4.340 -0.081 0.000 0.280 335 Q C 1.350 177.343 176.000 -0.011 0.000 1.047 335 Q CA 0.844 56.637 55.803 -0.016 0.000 0.907 335 Q CB 0.551 29.275 28.738 -0.024 0.000 1.171 335 Q HN 0.785 nan 8.270 nan 0.000 0.381 336 G N 1.446 110.243 108.800 -0.004 0.000 2.184 336 G HA2 -0.264 3.648 3.960 -0.081 0.000 0.264 336 G HA3 -0.264 3.648 3.960 -0.081 0.000 0.264 336 G C 0.171 175.071 174.900 0.000 0.000 0.975 336 G CA 0.079 45.178 45.100 -0.002 0.000 0.642 336 G HN 0.472 nan 8.290 nan 0.000 0.536 337 V N 0.810 120.724 119.914 0.000 0.000 2.743 337 V HA 0.702 4.773 4.120 -0.081 0.000 0.301 337 V C 0.675 176.774 176.094 0.008 0.000 1.057 337 V CA 0.253 62.554 62.300 0.002 0.000 1.006 337 V CB 1.783 33.605 31.823 -0.003 0.000 1.024 337 V HN 0.286 nan 8.190 nan 0.000 0.473 338 T N 2.629 117.189 114.554 0.011 0.000 2.841 338 T HA 0.462 4.764 4.350 -0.081 0.000 0.283 338 T C -0.457 174.255 174.700 0.021 0.000 1.000 338 T CA -0.397 61.714 62.100 0.017 0.000 0.977 338 T CB 1.671 70.549 68.868 0.016 0.000 0.979 338 T HN 0.344 nan 8.240 nan 0.000 0.446 339 V N 5.577 125.507 119.914 0.028 0.000 2.455 339 V HA 0.222 4.294 4.120 -0.081 0.000 0.273 339 V C -1.906 174.212 176.094 0.039 0.000 1.045 339 V CA -1.608 60.714 62.300 0.036 0.000 0.976 339 V CB 0.209 32.061 31.823 0.048 0.000 0.993 339 V HN 0.728 nan 8.190 nan 0.000 0.475 340 P HA 0.081 nan 4.420 nan 0.000 0.267 340 P C 0.412 177.740 177.300 0.047 0.000 1.200 340 P CA -0.075 63.047 63.100 0.038 0.000 0.772 340 P CB 0.572 32.293 31.700 0.036 0.000 0.855 341 D N 1.883 122.309 120.400 0.043 0.000 2.182 341 D HA -0.106 4.485 4.640 -0.081 0.000 0.201 341 D C 2.032 178.366 176.300 0.057 0.000 0.986 341 D CA 1.710 55.740 54.000 0.050 0.000 0.847 341 D CB -0.478 40.347 40.800 0.042 0.000 0.942 341 D HN 0.561 nan 8.370 nan 0.000 0.467 342 G N -0.544 108.286 108.800 0.050 0.000 2.712 342 G HA2 0.009 3.921 3.960 -0.081 0.000 0.212 342 G HA3 0.009 3.921 3.960 -0.081 0.000 0.212 342 G C 0.476 175.414 174.900 0.063 0.000 1.142 342 G CA -0.232 44.898 45.100 0.051 0.000 0.789 342 G HN 0.173 nan 8.290 nan 0.000 0.535 343 L N 0.853 122.119 121.223 0.071 0.000 2.290 343 L HA 0.737 5.029 4.340 -0.081 0.000 0.284 343 L C -0.781 176.163 176.870 0.122 0.000 1.078 343 L CA -0.666 54.227 54.840 0.088 0.000 0.815 343 L CB 1.417 43.523 42.059 0.078 0.000 1.162 343 L HN 0.005 nan 8.230 nan 0.000 0.435 344 L N 5.187 126.500 121.223 0.149 0.000 2.464 344 L HA 0.508 4.800 4.340 -0.081 0.000 0.266 344 L C -1.731 175.293 176.870 0.257 0.000 0.965 344 L CA -0.502 54.461 54.840 0.204 0.000 0.833 344 L CB 1.721 43.887 42.059 0.178 0.000 1.296 344 L HN 0.596 nan 8.230 nan 0.000 0.405 345 F N 5.634 125.665 119.950 0.135 0.000 2.388 345 F HA 0.583 5.074 4.527 -0.061 0.000 0.358 345 F C -0.771 175.117 175.800 0.148 0.000 1.122 345 F CA -0.603 57.457 58.000 0.101 0.000 1.056 345 F CB 1.377 40.424 39.000 0.079 0.000 1.155 345 F HN 0.102 nan 8.300 nan 0.000 0.461 346 V N 9.288 128.917 119.914 -0.475 0.000 2.385 346 V HA 0.281 4.352 4.120 -0.081 0.000 0.269 346 V C -1.698 173.863 176.094 -0.889 0.000 1.043 346 V CA -1.013 61.008 62.300 -0.465 0.000 0.906 346 V CB 1.185 32.769 31.823 -0.398 0.000 0.995 346 V HN 0.645 nan 8.190 nan 0.000 0.467 347 P HA 0.158 nan 4.420 nan 0.000 0.263 347 P C -0.412 176.605 177.300 -0.473 0.000 1.448 347 P CA -0.175 62.575 63.100 -0.584 0.000 0.983 347 P CB 0.094 31.720 31.700 -0.123 0.000 1.481 348 Y N 0.736 120.955 120.300 -0.136 0.000 2.623 348 Y HA 0.180 4.685 4.550 -0.075 0.000 0.341 348 Y C 1.921 177.730 175.900 -0.152 0.000 1.292 348 Y CA -0.239 57.820 58.100 -0.069 0.000 1.840 348 Y CB -0.821 37.609 38.460 -0.050 0.000 1.865 348 Y HN -0.146 nan 8.280 nan 0.000 0.440 349 L N 0.216 121.371 121.223 -0.114 0.000 2.291 349 L HA -0.071 4.221 4.340 -0.081 0.000 0.214 349 L C 0.224 176.797 176.870 -0.495 0.000 1.120 349 L CA 0.964 55.583 54.840 -0.369 0.000 0.799 349 L CB -0.271 41.498 42.059 -0.484 0.000 0.925 349 L HN 0.535 nan 8.230 nan 0.000 0.446 350 H N -2.006 117.083 119.070 0.031 0.000 2.834 350 H HA 0.588 5.096 4.556 -0.080 0.000 0.369 350 H C 0.099 175.463 175.328 0.060 0.000 1.174 350 H CA -0.625 55.450 56.048 0.046 0.000 1.165 350 H CB 1.076 30.880 29.762 0.070 0.000 1.820 350 H HN 0.001 nan 8.280 nan 0.000 0.558 351 A N 1.091 124.007 122.820 0.160 0.000 2.583 351 A HA 0.228 4.499 4.320 -0.081 0.000 0.231 351 A C 0.173 177.811 177.584 0.089 0.000 1.065 351 A CA 0.461 52.545 52.037 0.080 0.000 0.760 351 A CB -0.112 18.920 19.000 0.053 0.000 1.001 351 A HN 0.673 nan 8.150 nan 0.000 0.509 352 E N -0.310 119.896 120.200 0.009 0.000 2.369 352 E HA 0.593 4.895 4.350 -0.081 0.000 0.270 352 E C 0.454 177.023 176.600 -0.052 0.000 0.909 352 E CA -0.510 55.885 56.400 -0.008 0.000 0.775 352 E CB 1.373 30.988 29.700 -0.142 0.000 1.270 352 E HN 0.523 nan 8.360 nan 0.000 0.445 353 R N 0.641 121.131 120.500 -0.015 0.000 2.225 353 R HA 0.412 4.703 4.340 -0.081 0.000 0.194 353 R C -0.177 176.083 176.300 -0.067 0.000 0.949 353 R CA 0.337 56.423 56.100 -0.023 0.000 1.088 353 R CB 0.585 30.921 30.300 0.060 0.000 1.106 353 R HN 0.460 nan 8.270 nan 0.000 0.566 354 C N 0.926 120.201 119.300 -0.041 0.000 2.783 354 C HA 0.332 4.744 4.460 -0.081 0.000 0.312 354 C C -2.030 172.922 174.990 -0.063 0.000 1.182 354 C CA -1.347 57.620 59.018 -0.084 0.000 1.432 354 C CB 2.935 30.686 27.740 0.018 0.000 1.933 354 C HN 0.195 nan 8.230 nan 0.000 0.473 355 P HA 0.044 nan 4.420 nan 0.000 0.255 355 P C -0.039 176.824 177.300 -0.728 0.000 1.248 355 P CA 0.748 63.538 63.100 -0.517 0.000 0.807 355 P CB 0.212 31.413 31.700 -0.832 0.000 1.150 356 V N -2.868 116.679 119.914 -0.612 0.000 2.789 356 V HA 0.596 4.667 4.120 -0.081 0.000 0.311 356 V C -0.535 175.342 176.094 -0.362 0.000 1.073 356 V CA -1.559 60.421 62.300 -0.533 0.000 0.921 356 V CB 2.160 33.612 31.823 -0.618 0.000 1.009 356 V HN -0.241 nan 8.190 nan 0.000 0.426 357 E N 3.698 123.744 120.200 -0.258 0.000 2.070 357 E HA 0.527 4.828 4.350 -0.081 0.000 0.282 357 E C -1.173 175.325 176.600 -0.170 0.000 1.104 357 E CA 0.038 56.330 56.400 -0.181 0.000 0.876 357 E CB 0.355 29.970 29.700 -0.141 0.000 1.055 357 E HN 0.769 nan 8.360 nan 0.000 0.401 358 L N 7.826 128.951 121.223 -0.164 0.000 2.372 358 L HA 0.394 4.685 4.340 -0.081 0.000 0.273 358 L C -1.692 175.132 176.870 -0.078 0.000 0.989 358 L CA -1.692 53.065 54.840 -0.138 0.000 0.841 358 L CB 2.186 44.131 42.059 -0.191 0.000 1.225 358 L HN 0.520 nan 8.230 nan 0.000 0.414 359 P HA 0.034 nan 4.420 nan 0.000 0.231 359 P C 0.206 177.494 177.300 -0.020 0.000 1.168 359 P CA 0.412 63.492 63.100 -0.034 0.000 0.779 359 P CB 0.832 32.512 31.700 -0.033 0.000 0.844 360 A N 0.199 123.002 122.820 -0.029 0.000 2.423 360 A HA 0.713 4.985 4.320 -0.081 0.000 0.304 360 A C -2.818 174.750 177.584 -0.026 0.000 1.104 360 A CA -2.120 49.904 52.037 -0.022 0.000 0.757 360 A CB 0.323 19.306 19.000 -0.027 0.000 1.313 360 A HN -0.157 nan 8.150 nan 0.000 0.423 361 P HA 0.273 nan 4.420 nan 0.000 0.268 361 P C -0.586 176.690 177.300 -0.041 0.000 1.208 361 P CA 0.141 63.217 63.100 -0.040 0.000 0.777 361 P CB 0.348 31.989 31.700 -0.099 0.000 0.875 362 R N 1.376 121.869 120.500 -0.011 0.000 2.718 362 R HA 0.497 4.789 4.340 -0.081 0.000 0.266 362 R C -0.807 175.445 176.300 -0.080 0.000 1.776 362 R CA -0.320 55.764 56.100 -0.026 0.000 1.567 362 R CB 0.154 30.466 30.300 0.020 0.000 1.336 362 R HN 0.688 nan 8.270 nan 0.000 0.619 363 G N 0.956 109.642 108.800 -0.190 0.000 2.416 363 G HA2 0.765 4.677 3.960 -0.081 0.000 0.324 363 G HA3 0.765 4.677 3.960 -0.081 0.000 0.324 363 G C -1.258 173.441 174.900 -0.337 0.000 1.194 363 G CA -0.349 44.528 45.100 -0.371 0.000 0.922 363 G HN 0.513 nan 8.290 nan 0.000 0.467 364 A N 1.420 123.964 122.820 -0.459 0.000 2.589 364 A HA 0.661 4.932 4.320 -0.081 0.000 0.296 364 A C -1.833 175.645 177.584 -0.177 0.000 1.062 364 A CA -0.598 51.297 52.037 -0.236 0.000 0.686 364 A CB 1.872 20.776 19.000 -0.161 0.000 1.282 364 A HN 1.249 nan 8.150 nan 0.000 0.404 365 L N 2.245 123.504 121.223 0.059 0.000 2.298 365 L HA 0.766 5.057 4.340 -0.081 0.000 0.284 365 L C -1.149 175.781 176.870 0.100 0.000 1.013 365 L CA -0.201 54.757 54.840 0.197 0.000 0.824 365 L CB 0.741 42.970 42.059 0.284 0.000 1.221 365 L HN 0.639 nan 8.230 nan 0.000 0.418 366 L N 4.522 125.799 121.223 0.090 0.000 2.319 366 L HA 0.724 5.016 4.340 -0.081 0.000 0.267 366 L C 0.996 177.906 176.870 0.067 0.000 1.011 366 L CA -0.587 54.286 54.840 0.055 0.000 0.818 366 L CB 1.799 43.875 42.059 0.028 0.000 1.316 366 L HN 0.763 nan 8.230 nan 0.000 0.432 367 G N 1.350 110.179 108.800 0.049 0.000 2.149 367 G HA2 -0.193 3.719 3.960 -0.081 0.000 0.235 367 G HA3 -0.193 3.719 3.960 -0.081 0.000 0.235 367 G C -0.211 174.718 174.900 0.048 0.000 1.018 367 G CA -0.161 44.967 45.100 0.047 0.000 0.728 367 G HN 0.313 nan 8.290 nan 0.000 0.508 368 V N 1.318 121.260 119.914 0.048 0.000 2.614 368 V HA 0.700 4.772 4.120 -0.081 0.000 0.291 368 V C 1.022 177.136 176.094 0.034 0.000 1.049 368 V CA 0.679 63.007 62.300 0.046 0.000 1.038 368 V CB 1.187 33.039 31.823 0.049 0.000 0.980 368 V HN 0.940 nan 8.190 nan 0.000 0.481 369 T N 0.906 115.478 114.554 0.030 0.000 2.831 369 T HA 0.538 4.840 4.350 -0.081 0.000 0.287 369 T C 1.106 175.818 174.700 0.021 0.000 1.070 369 T CA 0.008 62.122 62.100 0.024 0.000 1.010 369 T CB 1.644 70.525 68.868 0.022 0.000 1.264 369 T HN 0.695 nan 8.240 nan 0.000 0.532 370 G N -0.525 108.285 108.800 0.017 0.000 2.625 370 G HA2 0.233 4.145 3.960 -0.081 0.000 0.214 370 G HA3 0.233 4.145 3.960 -0.081 0.000 0.214 370 G C 1.269 176.177 174.900 0.013 0.000 1.132 370 G CA 0.544 45.653 45.100 0.014 0.000 0.782 370 G HN 1.138 nan 8.290 nan 0.000 0.538 371 A N -0.240 122.589 122.820 0.015 0.000 2.195 371 A HA 0.332 4.604 4.320 -0.081 0.000 0.210 371 A C 1.321 178.913 177.584 0.015 0.000 1.165 371 A CA 0.328 52.373 52.037 0.013 0.000 0.806 371 A CB -0.027 18.981 19.000 0.014 0.000 0.847 371 A HN 0.183 nan 8.150 nan 0.000 0.482 372 T N 2.353 116.918 114.554 0.018 0.000 2.888 372 T HA 0.372 4.673 4.350 -0.081 0.000 0.301 372 T C 0.561 175.269 174.700 0.014 0.000 1.001 372 T CA 0.762 62.874 62.100 0.020 0.000 1.147 372 T CB 0.559 69.444 68.868 0.028 0.000 0.931 372 T HN 0.547 nan 8.240 nan 0.000 0.541 373 T N 0.540 115.100 114.554 0.009 0.000 2.945 373 T HA 0.429 4.731 4.350 -0.081 0.000 0.286 373 T C 1.259 175.956 174.700 -0.004 0.000 1.025 373 T CA -1.183 60.919 62.100 0.002 0.000 1.039 373 T CB 1.690 70.557 68.868 -0.002 0.000 1.068 373 T HN 0.522 nan 8.240 nan 0.000 0.497 374 R N 0.529 121.021 120.500 -0.012 0.000 2.105 374 R HA -0.112 4.180 4.340 -0.081 0.000 0.239 374 R C 2.394 178.673 176.300 -0.035 0.000 1.135 374 R CA 1.672 57.756 56.100 -0.026 0.000 0.967 374 R CB -0.977 29.303 30.300 -0.033 0.000 0.861 374 R HN 0.833 nan 8.270 nan 0.000 0.442 375 A N 0.611 123.414 122.820 -0.028 0.000 1.902 375 A HA -0.217 4.055 4.320 -0.081 0.000 0.217 375 A C 2.035 179.604 177.584 -0.025 0.000 1.181 375 A CA 1.493 53.512 52.037 -0.030 0.000 0.623 375 A CB -0.445 18.542 19.000 -0.022 0.000 0.818 375 A HN 0.502 nan 8.150 nan 0.000 0.443 376 Q N -0.662 119.130 119.800 -0.013 0.000 2.124 376 Q HA -0.075 4.217 4.340 -0.081 0.000 0.202 376 Q C 1.978 177.972 176.000 -0.009 0.000 0.977 376 Q CA 1.424 57.226 55.803 -0.003 0.000 0.850 376 Q CB -0.279 28.465 28.738 0.010 0.000 0.901 376 Q HN 0.759 nan 8.270 nan 0.000 0.429 377 I N 0.277 120.836 120.570 -0.019 0.000 2.252 377 I HA -0.283 3.838 4.170 -0.081 0.000 0.245 377 I C 2.064 178.119 176.117 -0.103 0.000 1.102 377 I CA 0.973 62.251 61.300 -0.037 0.000 1.385 377 I CB -0.181 37.803 38.000 -0.026 0.000 1.064 377 I HN 0.203 nan 8.210 nan 0.000 0.414 378 L N -0.138 121.023 121.223 -0.103 0.000 2.042 378 L HA -0.244 4.048 4.340 -0.081 0.000 0.210 378 L C 2.539 179.340 176.870 -0.115 0.000 1.076 378 L CA 1.096 55.855 54.840 -0.134 0.000 0.749 378 L CB -0.474 41.523 42.059 -0.105 0.000 0.893 378 L HN 0.283 nan 8.230 nan 0.000 0.432 379 L N -0.145 121.039 121.223 -0.064 0.000 2.093 379 L HA -0.077 4.214 4.340 -0.081 0.000 0.208 379 L C 2.601 179.459 176.870 -0.021 0.000 1.085 379 L CA 1.807 56.626 54.840 -0.034 0.000 0.755 379 L CB -0.684 41.371 42.059 -0.006 0.000 0.904 379 L HN 0.140 nan 8.230 nan 0.000 0.435 380 A N -1.287 121.524 122.820 -0.015 0.000 1.978 380 A HA -0.152 4.120 4.320 -0.081 0.000 0.220 380 A C 2.276 179.875 177.584 0.025 0.000 1.170 380 A CA 1.861 53.921 52.037 0.039 0.000 0.636 380 A CB -0.984 18.062 19.000 0.078 0.000 0.810 380 A HN 0.286 nan 8.150 nan 0.000 0.448 381 V N 0.185 119.987 119.914 -0.187 0.000 2.295 381 V HA -0.262 3.810 4.120 -0.081 0.000 0.246 381 V C 2.561 178.582 176.094 -0.122 0.000 1.049 381 V CA 2.004 64.088 62.300 -0.360 0.000 1.024 381 V CB -0.711 30.770 31.823 -0.570 0.000 0.648 381 V HN 0.596 nan 8.190 nan 0.000 0.447 382 L N -0.266 120.863 121.223 -0.155 0.000 2.046 382 L HA -0.198 4.094 4.340 -0.081 0.000 0.208 382 L C 2.587 179.490 176.870 0.055 0.000 1.077 382 L CA 1.981 56.707 54.840 -0.190 0.000 0.747 382 L CB -0.682 41.317 42.059 -0.100 0.000 0.896 382 L HN 0.441 nan 8.230 nan 0.000 0.432 383 E N 0.604 120.853 120.200 0.082 0.000 2.058 383 E HA -0.206 4.096 4.350 -0.081 0.000 0.194 383 E C 2.181 178.843 176.600 0.104 0.000 0.997 383 E CA 1.322 57.787 56.400 0.109 0.000 0.801 383 E CB -0.172 29.582 29.700 0.089 0.000 0.746 383 E HN 0.457 nan 8.360 nan 0.000 0.450 384 G N 0.704 109.603 108.800 0.166 0.000 2.440 384 G HA2 -0.292 3.620 3.960 -0.081 0.000 0.218 384 G HA3 -0.292 3.620 3.960 -0.081 0.000 0.218 384 G C 1.655 176.633 174.900 0.131 0.000 1.154 384 G CA 1.113 46.336 45.100 0.205 0.000 0.767 384 G HN 0.432 nan 8.290 nan 0.000 0.552 385 A N 1.083 124.020 122.820 0.196 0.000 1.902 385 A HA 0.292 4.563 4.320 -0.081 0.000 0.217 385 A C 2.803 180.605 177.584 0.364 0.000 1.181 385 A CA 2.227 54.428 52.037 0.274 0.000 0.623 385 A CB -0.733 18.380 19.000 0.188 0.000 0.818 385 A HN 0.801 nan 8.150 nan 0.000 0.443 386 A N -0.404 122.635 122.820 0.364 0.000 1.969 386 A HA 0.038 4.309 4.320 -0.081 0.000 0.218 386 A C 2.118 179.728 177.584 0.043 0.000 1.169 386 A CA 1.318 53.490 52.037 0.225 0.000 0.635 386 A CB -0.517 18.598 19.000 0.193 0.000 0.810 386 A HN 0.467 nan 8.150 nan 0.000 0.445 387 L N -0.856 120.307 121.223 -0.100 0.000 2.141 387 L HA -0.127 4.165 4.340 -0.081 0.000 0.209 387 L C 2.874 179.654 176.870 -0.150 0.000 1.094 387 L CA 1.330 55.990 54.840 -0.300 0.000 0.763 387 L CB -0.383 41.168 42.059 -0.847 0.000 0.908 387 L HN 0.491 nan 8.230 nan 0.000 0.437 388 S N 0.229 115.918 115.700 -0.018 0.000 2.368 388 S HA -0.131 4.291 4.470 -0.081 0.000 0.225 388 S C 2.000 176.826 174.600 0.377 0.000 1.030 388 S CA 1.116 59.567 58.200 0.419 0.000 0.999 388 S CB -0.152 63.327 63.200 0.465 0.000 0.844 388 S HN 0.302 nan 8.310 nan 0.000 0.459 389 L N 1.006 122.375 121.223 0.244 0.000 2.083 389 L HA -0.051 4.240 4.340 -0.081 0.000 0.209 389 L C 2.843 179.794 176.870 0.136 0.000 1.083 389 L CA 1.439 56.385 54.840 0.177 0.000 0.752 389 L CB -0.479 41.636 42.059 0.093 0.000 0.899 389 L HN 0.332 nan 8.230 nan 0.000 0.433 390 R N -0.511 120.028 120.500 0.064 0.000 2.096 390 R HA -0.243 4.049 4.340 -0.081 0.000 0.235 390 R C 2.312 178.680 176.300 0.113 0.000 1.127 390 R CA 1.648 57.697 56.100 -0.085 0.000 0.968 390 R CB -0.338 29.699 30.300 -0.438 0.000 0.861 390 R HN 0.405 nan 8.270 nan 0.000 0.440 391 W N 0.967 122.408 121.300 0.234 0.000 2.358 391 W HA -0.175 4.434 4.660 -0.084 0.000 0.303 391 W C 1.999 178.668 176.519 0.251 0.000 1.208 391 W CA 0.568 58.178 57.345 0.442 0.000 1.274 391 W CB -0.987 28.787 29.460 0.524 0.000 1.138 391 W HN 0.165 nan 8.180 nan 0.000 0.515 392 C N 0.461 119.997 119.300 0.394 0.000 2.413 392 C HA -0.154 4.257 4.460 -0.081 0.000 0.276 392 C C 3.075 178.188 174.990 0.205 0.000 1.248 392 C CA 1.842 60.996 59.018 0.227 0.000 1.742 392 C CB -1.630 26.225 27.740 0.192 0.000 2.017 392 C HN 0.391 nan 8.230 nan 0.000 0.481 393 A N 0.072 122.998 122.820 0.176 0.000 1.933 393 A HA -0.241 4.030 4.320 -0.081 0.000 0.218 393 A C 2.111 179.775 177.584 0.133 0.000 1.175 393 A CA 1.984 54.090 52.037 0.115 0.000 0.628 393 A CB -0.636 18.392 19.000 0.045 0.000 0.814 393 A HN 0.738 nan 8.150 nan 0.000 0.444 394 E N -0.109 120.205 120.200 0.190 0.000 2.072 394 E HA -0.132 4.169 4.350 -0.081 0.000 0.191 394 E C 1.906 178.639 176.600 0.222 0.000 0.985 394 E CA 0.984 57.513 56.400 0.215 0.000 0.801 394 E CB -0.209 29.690 29.700 0.331 0.000 0.750 394 E HN 0.622 nan 8.360 nan 0.000 0.452 395 L N 0.547 121.925 121.223 0.260 0.000 2.083 395 L HA -0.167 4.125 4.340 -0.081 0.000 0.209 395 L C 2.386 179.345 176.870 0.148 0.000 1.083 395 L CA 0.761 55.716 54.840 0.191 0.000 0.752 395 L CB -0.240 41.907 42.059 0.147 0.000 0.899 395 L HN 0.264 nan 8.230 nan 0.000 0.433 396 L N -0.638 120.674 121.223 0.149 0.000 2.478 396 L HA 0.138 4.429 4.340 -0.081 0.000 0.223 396 L C 1.215 178.156 176.870 0.118 0.000 1.140 396 L CA 0.270 55.192 54.840 0.136 0.000 0.842 396 L CB -0.719 41.424 42.059 0.140 0.000 0.953 396 L HN 0.422 nan 8.230 nan 0.000 0.452 400 K N 1.521 121.937 120.400 0.026 0.000 2.387 400 K HA 0.319 4.591 4.320 -0.081 0.000 0.198 400 K C 0.313 176.926 176.600 0.021 0.000 1.022 400 K CA 0.019 56.319 56.287 0.022 0.000 1.128 400 K CB 1.438 33.953 32.500 0.025 0.000 0.853 400 K HN -0.133 nan 8.250 nan 0.000 0.523 401 V N 1.088 121.015 119.914 0.021 0.000 2.555 401 V HA 0.066 4.138 4.120 -0.081 0.000 0.286 401 V C 1.371 177.473 176.094 0.013 0.000 1.044 401 V CA 0.232 62.544 62.300 0.020 0.000 1.026 401 V CB 1.298 33.134 31.823 0.021 0.000 0.981 401 V HN 0.425 nan 8.190 nan 0.000 0.480 402 G N 4.292 113.100 108.800 0.014 0.000 2.595 402 G HA2 0.232 4.144 3.960 -0.081 0.000 0.213 402 G HA3 0.232 4.144 3.960 -0.081 0.000 0.213 402 G C -0.082 174.828 174.900 0.016 0.000 1.141 402 G CA 0.280 45.391 45.100 0.017 0.000 0.806 402 G HN 0.483 nan 8.290 nan 0.000 0.530 403 L N 0.149 121.373 121.223 0.002 0.000 2.493 403 L HA 0.580 4.872 4.340 -0.081 0.000 0.265 403 L C -1.541 175.308 176.870 -0.034 0.000 0.954 403 L CA -0.634 54.195 54.840 -0.018 0.000 0.844 403 L CB 2.093 44.144 42.059 -0.013 0.000 1.302 403 L HN -0.077 nan 8.230 nan 0.000 0.405 404 L N 5.309 126.491 121.223 -0.068 0.000 2.282 404 L HA 0.506 4.798 4.340 -0.081 0.000 0.288 404 L C -0.342 176.445 176.870 -0.139 0.000 1.033 404 L CA -0.844 53.940 54.840 -0.093 0.000 0.807 404 L CB 1.198 43.184 42.059 -0.123 0.000 1.209 404 L HN 0.579 nan 8.230 nan 0.000 0.423 405 K N 4.000 124.315 120.400 -0.142 0.000 2.297 405 K HA 0.393 4.664 4.320 -0.081 0.000 0.286 405 K C -0.802 175.558 176.600 -0.398 0.000 1.053 405 K CA -0.395 55.767 56.287 -0.209 0.000 0.940 405 K CB 1.974 34.399 32.500 -0.125 0.000 1.019 405 K HN 0.250 nan 8.250 nan 0.000 0.475 406 V N 3.383 123.070 119.914 -0.378 0.000 2.495 406 V HA 0.419 4.490 4.120 -0.081 0.000 0.298 406 V C -0.080 175.758 176.094 -0.425 0.000 1.031 406 V CA -0.961 61.064 62.300 -0.459 0.000 0.871 406 V CB 1.810 33.420 31.823 -0.355 0.000 0.988 406 V HN 0.605 nan 8.190 nan 0.000 0.432 407 V N 1.292 120.886 119.914 -0.533 0.000 3.040 407 V HA 1.144 5.215 4.120 -0.081 0.000 0.312 407 V C -0.017 175.780 176.094 -0.496 0.000 1.115 407 V CA -0.043 62.027 62.300 -0.384 0.000 0.998 407 V CB 1.398 33.075 31.823 -0.243 0.000 1.042 407 V HN 1.949 nan 8.190 nan 0.000 0.433 408 G N 1.086 109.663 108.800 -0.371 0.000 2.555 408 G HA2 0.353 4.265 3.960 -0.081 0.000 0.686 408 G HA3 0.353 4.265 3.960 -0.081 0.000 0.686 408 G C 0.473 175.255 174.900 -0.197 0.000 1.275 408 G CA -0.205 44.666 45.100 -0.383 0.000 0.871 408 G HN 1.927 nan 8.290 nan 0.000 0.603 409 G N -0.375 108.356 108.800 -0.116 0.000 2.471 409 G HA2 0.286 4.198 3.960 -0.081 0.000 0.219 409 G HA3 0.286 4.198 3.960 -0.081 0.000 0.219 409 G C 1.879 176.743 174.900 -0.061 0.000 1.125 409 G CA 1.819 46.870 45.100 -0.082 0.000 0.775 409 G HN 1.886 nan 8.290 nan 0.000 0.548 410 G N 1.049 109.860 108.800 0.018 0.000 2.462 410 G HA2 0.040 3.952 3.960 -0.081 0.000 0.220 410 G HA3 0.040 3.952 3.960 -0.081 0.000 0.220 410 G C 1.839 176.799 174.900 0.100 0.000 1.121 410 G CA 1.197 46.415 45.100 0.197 0.000 0.758 410 G HN 0.601 nan 8.290 nan 0.000 0.559 411 A N 0.397 123.170 122.820 -0.078 0.000 2.216 411 A HA 0.106 4.377 4.320 -0.081 0.000 0.214 411 A C 2.290 179.836 177.584 -0.064 0.000 1.160 411 A CA 0.810 52.779 52.037 -0.113 0.000 0.725 411 A CB -0.296 18.598 19.000 -0.177 0.000 0.784 411 A HN 0.393 nan 8.150 nan 0.000 0.472 412 R N -0.086 120.378 120.500 -0.059 0.000 2.237 412 R HA -0.007 4.284 4.340 -0.081 0.000 0.219 412 R C 0.814 177.099 176.300 -0.027 0.000 1.080 412 R CA 0.817 56.876 56.100 -0.069 0.000 0.995 412 R CB -0.153 30.067 30.300 -0.134 0.000 0.875 412 R HN 0.376 nan 8.270 nan 0.000 0.462 413 S N 1.146 116.871 115.700 0.042 0.000 2.411 413 S HA 0.054 4.475 4.470 -0.081 0.000 0.304 413 S C 0.841 175.503 174.600 0.103 0.000 1.098 413 S CA -0.463 57.800 58.200 0.105 0.000 1.068 413 S CB 0.628 63.958 63.200 0.217 0.000 1.032 413 S HN 0.189 nan 8.310 nan 0.000 0.511 414 E N 3.649 123.881 120.200 0.053 0.000 2.153 414 E HA -0.146 4.155 4.350 -0.081 0.000 0.194 414 E C 2.161 178.796 176.600 0.058 0.000 0.988 414 E CA 1.237 57.656 56.400 0.032 0.000 0.811 414 E CB -0.124 29.583 29.700 0.012 0.000 0.746 414 E HN 0.847 nan 8.360 nan 0.000 0.466 415 A N 0.931 123.801 122.820 0.083 0.000 1.930 415 A HA -0.166 4.106 4.320 -0.081 0.000 0.217 415 A C 1.803 179.496 177.584 0.182 0.000 1.175 415 A CA 0.861 52.956 52.037 0.095 0.000 0.627 415 A CB -0.721 18.321 19.000 0.069 0.000 0.815 415 A HN 0.412 nan 8.150 nan 0.000 0.443 416 W N 0.895 122.187 121.300 -0.013 0.000 2.358 416 W HA -0.102 4.519 4.660 -0.063 0.000 0.303 416 W C 1.813 178.315 176.519 -0.028 0.000 1.208 416 W CA 1.374 58.712 57.345 -0.012 0.000 1.274 416 W CB -0.750 28.708 29.460 -0.004 0.000 1.138 416 W HN 0.280 nan 8.180 nan 0.000 0.515 417 L N 0.373 121.626 121.223 0.051 0.000 2.042 417 L HA -0.178 4.114 4.340 -0.081 0.000 0.210 417 L C 2.011 178.843 176.870 -0.064 0.000 1.076 417 L CA 1.221 55.996 54.840 -0.109 0.000 0.749 417 L CB -1.165 40.833 42.059 -0.102 0.000 0.893 417 L HN -0.166 nan 8.230 nan 0.000 0.432 421 A N 1.003 123.768 122.820 -0.092 0.000 1.883 421 A HA -0.212 4.059 4.320 -0.081 0.000 0.217 421 A C 1.685 179.241 177.584 -0.047 0.000 1.186 421 A CA 2.590 54.584 52.037 -0.072 0.000 0.624 421 A CB -0.520 18.442 19.000 -0.064 0.000 0.822 421 A HN 0.463 nan 8.150 nan 0.000 0.444 422 D N -0.124 120.257 120.400 -0.032 0.000 2.123 422 D HA -0.088 4.503 4.640 -0.081 0.000 0.200 422 D C 1.711 177.988 176.300 -0.039 0.000 0.976 422 D CA 0.997 54.983 54.000 -0.022 0.000 0.831 422 D CB -0.399 40.398 40.800 -0.006 0.000 0.974 422 D HN 0.448 nan 8.370 nan 0.000 0.469 423 N N 0.072 118.743 118.700 -0.048 0.000 2.300 423 N HA -0.049 4.642 4.740 -0.081 0.000 0.179 423 N C 1.476 176.906 175.510 -0.133 0.000 1.016 423 N CA 0.360 53.359 53.050 -0.084 0.000 0.876 423 N CB 0.194 38.637 38.487 -0.074 0.000 0.979 423 N HN 0.130 nan 8.380 nan 0.000 0.432 424 L N 1.025 122.183 121.223 -0.110 0.000 2.492 424 L HA 0.077 4.369 4.340 -0.081 0.000 0.223 424 L C 0.240 177.060 176.870 -0.083 0.000 1.132 424 L CA 0.242 55.015 54.840 -0.112 0.000 0.850 424 L CB -0.877 41.128 42.059 -0.091 0.000 0.966 424 L HN 0.121 nan 8.230 nan 0.000 0.454 425 N N -0.213 118.448 118.700 -0.066 0.000 2.696 425 N HA -0.209 4.483 4.740 -0.081 0.000 0.256 425 N C -0.888 174.606 175.510 -0.027 0.000 1.031 425 N CA 0.750 53.776 53.050 -0.040 0.000 0.730 425 N CB -0.699 37.765 38.487 -0.039 0.000 0.894 425 N HN 0.087 nan 8.380 nan 0.000 0.544 426 V N 0.242 120.139 119.914 -0.029 0.000 3.012 426 V HA 0.627 4.698 4.120 -0.081 0.000 0.307 426 V C -0.064 176.018 176.094 -0.020 0.000 1.166 426 V CA -0.522 61.766 62.300 -0.021 0.000 0.974 426 V CB 2.196 33.996 31.823 -0.037 0.000 1.040 426 V HN 0.333 nan 8.190 nan 0.000 0.428 427 S N 5.773 121.478 115.700 0.007 0.000 2.592 427 S HA 0.693 5.115 4.470 -0.081 0.000 0.271 427 S C -0.562 173.975 174.600 -0.105 0.000 1.326 427 S CA -0.351 57.830 58.200 -0.031 0.000 1.024 427 S CB 0.718 63.954 63.200 0.059 0.000 0.921 427 S HN 0.559 nan 8.310 nan 0.000 0.527 428 L N 2.350 123.471 121.223 -0.170 0.000 2.381 428 L HA 0.641 4.932 4.340 -0.081 0.000 0.268 428 L C -1.199 175.559 176.870 -0.186 0.000 0.997 428 L CA -0.921 53.815 54.840 -0.173 0.000 0.818 428 L CB 1.590 43.541 42.059 -0.181 0.000 1.310 428 L HN 0.398 nan 8.230 nan 0.000 0.416 429 L N 3.243 124.365 121.223 -0.169 0.000 2.372 429 L HA 0.531 4.822 4.340 -0.081 0.000 0.274 429 L C -0.695 176.079 176.870 -0.160 0.000 0.988 429 L CA -0.321 54.427 54.840 -0.153 0.000 0.833 429 L CB 1.871 43.855 42.059 -0.125 0.000 1.236 429 L HN 0.267 nan 8.230 nan 0.000 0.410 430 V N 5.473 125.299 119.914 -0.146 0.000 2.555 430 V HA 0.373 4.444 4.120 -0.081 0.000 0.286 430 V C 0.077 176.107 176.094 -0.107 0.000 1.044 430 V CA -0.481 61.732 62.300 -0.144 0.000 1.026 430 V CB 0.970 32.718 31.823 -0.126 0.000 0.981 430 V HN 0.582 nan 8.190 nan 0.000 0.480 431 K N 6.697 127.038 120.400 -0.098 0.000 2.389 431 K HA 0.447 4.719 4.320 -0.081 0.000 0.261 431 K C -2.507 174.156 176.600 0.105 0.000 1.014 431 K CA -1.912 54.356 56.287 -0.032 0.000 0.920 431 K CB 1.688 34.092 32.500 -0.159 0.000 1.149 431 K HN 0.387 nan 8.250 nan 0.000 0.444 432 P HA 0.151 nan 4.420 nan 0.000 0.275 432 P C -0.649 176.684 177.300 0.055 0.000 1.266 432 P CA -0.173 62.958 63.100 0.051 0.000 0.793 432 P CB 0.436 32.147 31.700 0.017 0.000 1.074 433 D N -1.710 118.679 120.400 -0.019 0.000 2.760 433 D HA -0.153 4.438 4.640 -0.081 0.000 0.244 433 D C 1.061 177.080 176.300 -0.468 0.000 1.123 433 D CA 1.038 54.976 54.000 -0.102 0.000 0.719 433 D CB -1.476 39.254 40.800 -0.117 0.000 1.045 433 D HN 0.490 nan 8.370 nan 0.000 0.426 434 A N 0.718 123.309 122.820 -0.383 0.000 2.070 434 A HA -0.226 4.046 4.320 -0.081 0.000 0.220 434 A C 1.889 179.186 177.584 -0.479 0.000 1.159 434 A CA 1.688 53.286 52.037 -0.730 0.000 0.656 434 A CB -0.565 18.319 19.000 -0.193 0.000 0.800 434 A HN 0.698 nan 8.150 nan 0.000 0.453 435 H N -0.679 118.253 119.070 -0.231 0.000 2.521 435 H HA 0.075 4.582 4.556 -0.081 0.000 0.286 435 H C 1.487 176.765 175.328 -0.082 0.000 1.034 435 H CA 1.216 57.206 56.048 -0.097 0.000 1.278 435 H CB -0.566 29.167 29.762 -0.048 0.000 1.386 435 H HN 0.477 nan 8.280 nan 0.000 0.567 436 L N 0.196 121.013 121.223 -0.677 0.000 2.446 436 L HA 0.043 4.334 4.340 -0.081 0.000 0.219 436 L C 2.201 179.024 176.870 -0.078 0.000 1.116 436 L CA 0.214 54.845 54.840 -0.348 0.000 0.844 436 L CB -0.378 41.458 42.059 -0.372 0.000 0.970 436 L HN 0.288 nan 8.230 nan 0.000 0.457 437 H N 0.620 119.661 119.070 -0.049 0.000 2.352 437 H HA -0.120 4.388 4.556 -0.081 0.000 0.299 437 H C -0.558 174.789 175.328 0.031 0.000 1.097 437 H CA 1.177 57.235 56.048 0.018 0.000 1.311 437 H CB -0.922 28.886 29.762 0.076 0.000 1.377 437 H HN 0.301 nan 8.280 nan 0.000 0.504 438 P HA -0.116 nan 4.420 nan 0.000 0.219 438 P C 1.337 178.675 177.300 0.064 0.000 1.150 438 P CA 1.113 64.266 63.100 0.088 0.000 0.814 438 P CB -0.007 31.734 31.700 0.068 0.000 0.787 439 L N -0.694 120.565 121.223 0.060 0.000 2.093 439 L HA -0.082 4.209 4.340 -0.081 0.000 0.208 439 L C 2.835 179.742 176.870 0.063 0.000 1.085 439 L CA 1.405 56.275 54.840 0.051 0.000 0.755 439 L CB -0.828 41.253 42.059 0.036 0.000 0.904 439 L HN -0.093 nan 8.230 nan 0.000 0.435 440 R N 0.230 120.783 120.500 0.089 0.000 2.081 440 R HA -0.094 4.198 4.340 -0.081 0.000 0.235 440 R C 2.443 178.801 176.300 0.097 0.000 1.131 440 R CA 1.289 57.467 56.100 0.129 0.000 0.960 440 R CB -0.695 29.691 30.300 0.144 0.000 0.856 440 R HN 0.426 nan 8.270 nan 0.000 0.436 441 G N 1.140 109.976 108.800 0.061 0.000 2.402 441 G HA2 -0.198 3.713 3.960 -0.081 0.000 0.216 441 G HA3 -0.198 3.713 3.960 -0.081 0.000 0.216 441 G C 1.458 176.336 174.900 -0.037 0.000 1.162 441 G CA 0.350 45.459 45.100 0.016 0.000 0.777 441 G HN 0.101 nan 8.290 nan 0.000 0.539 442 L N 0.696 121.904 121.223 -0.026 0.000 2.046 442 L HA -0.068 4.224 4.340 -0.081 0.000 0.208 442 L C 3.414 180.215 176.870 -0.115 0.000 1.077 442 L CA 1.067 55.874 54.840 -0.054 0.000 0.747 442 L CB -0.433 41.621 42.059 -0.008 0.000 0.896 442 L HN 0.304 nan 8.230 nan 0.000 0.432 443 A N 0.023 122.785 122.820 -0.097 0.000 1.902 443 A HA -0.163 4.109 4.320 -0.081 0.000 0.217 443 A C 2.536 179.770 177.584 -0.582 0.000 1.181 443 A CA 1.735 53.651 52.037 -0.201 0.000 0.623 443 A CB -0.675 18.329 19.000 0.008 0.000 0.818 443 A HN 0.406 nan 8.150 nan 0.000 0.443 444 A N 0.288 122.771 122.820 -0.562 0.000 1.877 444 A HA 0.005 4.276 4.320 -0.081 0.000 0.216 444 A C 2.143 179.458 177.584 -0.448 0.000 1.186 444 A CA 1.751 53.340 52.037 -0.748 0.000 0.620 444 A CB -0.767 18.133 19.000 -0.166 0.000 0.822 444 A HN 1.108 nan 8.150 nan 0.000 0.443 445 L N -1.896 119.165 121.223 -0.270 0.000 2.141 445 L HA 0.180 4.472 4.340 -0.081 0.000 0.209 445 L C 2.327 179.052 176.870 -0.241 0.000 1.094 445 L CA 2.137 56.854 54.840 -0.205 0.000 0.763 445 L CB -1.043 40.932 42.059 -0.140 0.000 0.908 445 L HN 0.177 nan 8.230 nan 0.000 0.437 446 A N 0.316 122.965 122.820 -0.286 0.000 1.929 446 A HA 0.161 4.433 4.320 -0.081 0.000 0.216 446 A C 2.536 179.854 177.584 -0.444 0.000 1.176 446 A CA 1.416 53.263 52.037 -0.317 0.000 0.628 446 A CB -1.047 17.777 19.000 -0.293 0.000 0.816 446 A HN 0.599 nan 8.150 nan 0.000 0.444 447 A N -0.357 122.152 122.820 -0.517 0.000 1.940 447 A HA -0.029 4.243 4.320 -0.081 0.000 0.219 447 A C 2.198 179.628 177.584 -0.257 0.000 1.176 447 A CA 1.837 53.590 52.037 -0.473 0.000 0.631 447 A CB -0.868 17.860 19.000 -0.454 0.000 0.814 447 A HN 0.374 nan 8.150 nan 0.000 0.446 448 V N 0.356 120.140 119.914 -0.216 0.000 2.343 448 V HA -0.204 3.867 4.120 -0.081 0.000 0.247 448 V C 2.487 178.501 176.094 -0.134 0.000 1.051 448 V CA 2.050 64.275 62.300 -0.125 0.000 1.036 448 V CB -0.718 31.027 31.823 -0.129 0.000 0.654 448 V HN 0.528 nan 8.190 nan 0.000 0.451 449 E N 0.201 120.292 120.200 -0.181 0.000 2.153 449 E HA -0.131 4.170 4.350 -0.081 0.000 0.194 449 E C 2.025 178.522 176.600 -0.172 0.000 0.988 449 E CA 1.004 57.309 56.400 -0.158 0.000 0.811 449 E CB -0.245 29.356 29.700 -0.165 0.000 0.746 449 E HN 0.521 nan 8.360 nan 0.000 0.466 450 L N 0.328 121.377 121.223 -0.289 0.000 2.599 450 L HA 0.021 4.313 4.340 -0.081 0.000 0.230 450 L C 0.217 177.035 176.870 -0.086 0.000 1.141 450 L CA 0.218 54.862 54.840 -0.327 0.000 0.877 450 L CB -0.324 41.197 42.059 -0.895 0.000 1.009 450 L HN 0.050 nan 8.230 nan 0.000 0.447 451 E N -2.259 117.931 120.200 -0.016 0.000 2.791 451 E HA -0.269 4.032 4.350 -0.081 0.000 0.271 451 E C 0.373 177.151 176.600 0.297 0.000 1.044 451 E CA 0.385 56.856 56.400 0.118 0.000 0.814 451 E CB -1.227 28.530 29.700 0.096 0.000 1.400 451 E HN 0.521 nan 8.360 nan 0.000 0.423 452 W N 0.396 121.709 121.300 0.023 0.000 2.518 452 W HA 0.166 4.777 4.660 -0.081 0.000 0.273 452 W C 0.968 177.554 176.519 0.110 0.000 1.247 452 W CA 0.561 57.943 57.345 0.061 0.000 1.288 452 W CB 0.164 29.677 29.460 0.089 0.000 1.107 452 W HN -0.110 nan 8.180 nan 0.000 0.586 453 S N -1.863 114.037 115.700 0.333 0.000 2.564 453 S HA 0.149 4.571 4.470 -0.081 0.000 0.274 453 S C 0.063 174.783 174.600 0.200 0.000 1.124 453 S CA -0.572 57.796 58.200 0.279 0.000 0.869 453 S CB 1.964 65.375 63.200 0.352 0.000 1.105 453 S HN 0.143 nan 8.310 nan 0.000 0.472 454 H N 1.711 120.843 119.070 0.103 0.000 2.470 454 H HA 0.236 4.744 4.556 -0.081 0.000 0.289 454 H C 0.567 175.925 175.328 0.051 0.000 1.033 454 H CA 1.588 57.674 56.048 0.063 0.000 1.331 454 H CB 0.257 30.049 29.762 0.050 0.000 1.414 454 H HN 0.523 nan 8.280 nan 0.000 0.545 455 S N -1.986 113.700 115.700 -0.024 0.000 2.588 455 S HA 0.228 4.650 4.470 -0.081 0.000 0.269 455 S C 0.797 175.416 174.600 0.033 0.000 1.157 455 S CA -0.518 57.628 58.200 -0.090 0.000 0.824 455 S CB 0.338 63.482 63.200 -0.094 0.000 1.126 455 S HN 0.132 nan 8.310 nan 0.000 0.464 456 I N 1.224 121.793 120.570 -0.002 0.000 2.208 456 I HA -0.219 3.903 4.170 -0.081 0.000 0.245 456 I C 2.935 179.117 176.117 0.108 0.000 1.097 456 I CA 1.762 63.087 61.300 0.041 0.000 1.363 456 I CB -0.302 37.692 38.000 -0.010 0.000 1.051 456 I HN 0.859 nan 8.210 nan 0.000 0.413 457 Q N 0.904 120.747 119.800 0.071 0.000 2.096 457 Q HA -0.268 4.024 4.340 -0.081 0.000 0.204 457 Q C 1.678 177.740 176.000 0.102 0.000 0.982 457 Q CA 2.074 57.924 55.803 0.077 0.000 0.850 457 Q CB 0.041 28.811 28.738 0.054 0.000 0.901 457 Q HN 0.436 nan 8.270 nan 0.000 0.422 458 D N -0.284 120.191 120.400 0.125 0.000 2.117 458 D HA -0.150 4.442 4.640 -0.081 0.000 0.197 458 D C 1.472 177.859 176.300 0.145 0.000 0.987 458 D CA 0.914 54.991 54.000 0.129 0.000 0.829 458 D CB -0.353 40.545 40.800 0.164 0.000 0.961 458 D HN 0.286 nan 8.370 nan 0.000 0.460 459 F N 0.873 120.855 119.950 0.053 0.000 2.113 459 F HA -0.069 4.409 4.527 -0.081 0.000 0.297 459 F C 2.057 177.885 175.800 0.047 0.000 1.103 459 F CA 1.062 59.099 58.000 0.062 0.000 1.248 459 F CB -0.094 38.948 39.000 0.071 0.000 0.999 459 F HN -0.111 nan 8.300 nan 0.000 0.475 460 L N -0.119 121.245 121.223 0.236 0.000 2.093 460 L HA -0.157 4.134 4.340 -0.081 0.000 0.208 460 L C 2.570 179.442 176.870 0.004 0.000 1.085 460 L CA 1.218 56.132 54.840 0.124 0.000 0.755 460 L CB -0.583 41.556 42.059 0.132 0.000 0.904 460 L HN 0.055 nan 8.230 nan 0.000 0.435 461 R N -0.259 120.247 120.500 0.011 0.000 2.090 461 R HA -0.176 4.116 4.340 -0.081 0.000 0.228 461 R C 2.186 178.456 176.300 -0.050 0.000 1.110 461 R CA 1.153 57.246 56.100 -0.012 0.000 0.973 461 R CB -0.147 30.157 30.300 0.007 0.000 0.869 461 R HN 0.209 nan 8.270 nan 0.000 0.440 462 E N 1.193 121.343 120.200 -0.084 0.000 2.072 462 E HA -0.124 4.177 4.350 -0.081 0.000 0.191 462 E C 1.809 178.313 176.600 -0.161 0.000 0.985 462 E CA 1.541 57.868 56.400 -0.121 0.000 0.801 462 E CB -0.130 29.484 29.700 -0.144 0.000 0.750 462 E HN 0.296 nan 8.360 nan 0.000 0.452 463 A N 0.711 123.387 122.820 -0.240 0.000 1.933 463 A HA -0.197 4.075 4.320 -0.081 0.000 0.218 463 A C 1.902 179.425 177.584 -0.101 0.000 1.175 463 A CA 1.865 53.779 52.037 -0.204 0.000 0.628 463 A CB -0.691 18.168 19.000 -0.235 0.000 0.814 463 A HN 0.259 nan 8.150 nan 0.000 0.444 464 D N -0.170 120.186 120.400 -0.073 0.000 2.218 464 D HA -0.069 4.522 4.640 -0.081 0.000 0.204 464 D C 1.730 178.004 176.300 -0.042 0.000 0.976 464 D CA 0.582 54.554 54.000 -0.045 0.000 0.853 464 D CB -0.238 40.543 40.800 -0.033 0.000 0.939 464 D HN 0.457 nan 8.370 nan 0.000 0.481 465 L N 0.187 121.380 121.223 -0.049 0.000 2.353 465 L HA -0.124 4.168 4.340 -0.081 0.000 0.220 465 L C 1.840 178.688 176.870 -0.037 0.000 1.133 465 L CA 0.393 55.209 54.840 -0.040 0.000 0.798 465 L CB -0.474 41.560 42.059 -0.042 0.000 0.922 465 L HN 0.034 nan 8.230 nan 0.000 0.445 471 N N 1.924 120.597 118.700 -0.046 0.000 2.499 471 N HA 0.447 5.138 4.740 -0.081 0.000 0.281 471 N C -0.312 175.137 175.510 -0.102 0.000 1.098 471 N CA -0.401 52.617 53.050 -0.053 0.000 0.979 471 N CB 0.687 39.152 38.487 -0.037 0.000 1.121 471 N HN 0.487 nan 8.380 nan 0.000 0.466 472 I N 2.063 122.548 120.570 -0.142 0.000 2.696 472 I HA 0.002 4.123 4.170 -0.081 0.000 0.284 472 I C -0.089 175.782 176.117 -0.409 0.000 1.129 472 I CA -0.326 60.804 61.300 -0.284 0.000 1.410 472 I CB 0.565 38.349 38.000 -0.361 0.000 1.399 472 I HN 0.313 nan 8.210 nan 0.000 0.579 473 L N 7.250 128.249 121.223 -0.374 0.000 2.257 473 L HA 0.356 4.648 4.340 -0.081 0.000 0.290 473 L C -0.396 176.258 176.870 -0.361 0.000 1.044 473 L CA 0.089 54.757 54.840 -0.288 0.000 0.810 473 L CB 0.154 42.113 42.059 -0.167 0.000 1.193 473 L HN 0.420 nan 8.230 nan 0.000 0.425 474 H N 5.065 124.114 119.070 -0.036 0.000 2.502 474 H HA 0.517 5.025 4.556 -0.081 0.000 0.338 474 H C -2.296 173.013 175.328 -0.032 0.000 1.155 474 H CA -1.951 54.077 56.048 -0.034 0.000 1.237 474 H CB 1.283 31.029 29.762 -0.027 0.000 1.534 474 H HN 0.489 nan 8.280 nan 0.000 0.523 475 P HA 0.025 nan 4.420 nan 0.000 0.275 475 P C -0.210 177.113 177.300 0.039 0.000 1.228 475 P CA -0.461 62.662 63.100 0.039 0.000 0.786 475 P CB 1.029 32.741 31.700 0.020 0.000 0.927 476 Q N 2.417 122.229 119.800 0.021 0.000 2.340 476 Q HA 0.271 4.563 4.340 -0.081 0.000 0.249 476 Q C -1.852 174.153 176.000 0.008 0.000 0.957 476 Q CA -1.612 54.200 55.803 0.016 0.000 0.882 476 Q CB -0.499 28.246 28.738 0.012 0.000 1.235 476 Q HN 0.419 nan 8.270 nan 0.000 0.439 477 P HA 0.141 nan 4.420 nan 0.000 0.271 477 P C -0.606 176.696 177.300 0.002 0.000 1.216 477 P CA -0.060 63.041 63.100 0.001 0.000 0.776 477 P CB 0.670 32.369 31.700 -0.002 0.000 0.881 478 C N 1.077 120.377 119.300 0.001 0.000 2.973 478 C HA 0.353 4.765 4.460 -0.081 0.000 0.329 478 C C 0.230 175.223 174.990 0.005 0.000 1.327 478 C CA -0.272 58.749 59.018 0.004 0.000 1.632 478 C CB 1.982 29.722 27.740 0.001 0.000 2.098 478 C HN 0.559 nan 8.230 nan 0.000 0.469 479 D N 0.797 121.202 120.400 0.008 0.000 2.422 479 D HA 0.313 4.904 4.640 -0.081 0.000 0.227 479 D C 1.053 177.359 176.300 0.011 0.000 1.190 479 D CA 0.564 54.570 54.000 0.010 0.000 0.905 479 D CB 0.812 41.619 40.800 0.013 0.000 1.034 479 D HN 0.746 nan 8.370 nan 0.000 0.507 480 E N 2.759 122.964 120.200 0.008 0.000 2.097 480 E HA -0.188 4.114 4.350 -0.081 0.000 0.196 480 E C 1.893 178.503 176.600 0.017 0.000 1.000 480 E CA 1.598 58.003 56.400 0.007 0.000 0.804 480 E CB -1.084 28.619 29.700 0.004 0.000 0.740 480 E HN 0.628 nan 8.360 nan 0.000 0.454 481 G N -0.118 108.693 108.800 0.019 0.000 2.422 481 G HA2 -0.243 3.669 3.960 -0.081 0.000 0.218 481 G HA3 -0.243 3.669 3.960 -0.081 0.000 0.218 481 G C 1.886 176.805 174.900 0.032 0.000 1.146 481 G CA 1.034 46.149 45.100 0.026 0.000 0.769 481 G HN 0.507 nan 8.290 nan 0.000 0.547 482 R N -0.224 120.293 120.500 0.029 0.000 2.073 482 R HA 0.015 4.307 4.340 -0.081 0.000 0.229 482 R C 2.730 179.056 176.300 0.044 0.000 1.120 482 R CA 0.677 56.796 56.100 0.033 0.000 0.967 482 R CB -0.053 30.263 30.300 0.027 0.000 0.862 482 R HN 0.075 nan 8.270 nan 0.000 0.436 483 R N 0.319 120.842 120.500 0.038 0.000 2.075 483 R HA -0.084 4.208 4.340 -0.081 0.000 0.232 483 R C 2.193 178.540 176.300 0.078 0.000 1.126 483 R CA 1.294 57.420 56.100 0.043 0.000 0.963 483 R CB -0.751 29.556 30.300 0.012 0.000 0.858 483 R HN 0.286 nan 8.270 nan 0.000 0.435 484 R N 0.902 121.447 120.500 0.076 0.000 2.081 484 R HA -0.054 4.237 4.340 -0.081 0.000 0.235 484 R C 2.261 178.653 176.300 0.153 0.000 1.131 484 R CA 1.439 57.621 56.100 0.138 0.000 0.960 484 R CB -0.018 30.341 30.300 0.099 0.000 0.856 484 R HN 0.121 nan 8.270 nan 0.000 0.436 485 R N 0.150 120.703 120.500 0.089 0.000 2.096 485 R HA -0.149 4.142 4.340 -0.081 0.000 0.235 485 R C 2.349 178.692 176.300 0.072 0.000 1.127 485 R CA 1.627 57.764 56.100 0.061 0.000 0.968 485 R CB -0.215 30.110 30.300 0.041 0.000 0.861 485 R HN 0.185 nan 8.270 nan 0.000 0.440 486 K N 0.187 120.646 120.400 0.098 0.000 2.097 486 K HA -0.158 4.114 4.320 -0.081 0.000 0.205 486 K C 1.870 178.570 176.600 0.167 0.000 1.050 486 K CA 1.093 57.449 56.287 0.114 0.000 0.938 486 K CB -0.135 32.431 32.500 0.110 0.000 0.718 486 K HN 0.029 nan 8.250 nan 0.000 0.442 487 F N 2.266 122.220 119.950 0.007 0.000 2.134 487 F HA -0.130 4.348 4.527 -0.083 0.000 0.299 487 F C 1.895 177.686 175.800 -0.015 0.000 1.097 487 F CA 1.437 59.427 58.000 -0.016 0.000 1.264 487 F CB -0.068 38.896 39.000 -0.060 0.000 1.001 487 F HN 0.047 nan 8.300 nan 0.000 0.479 488 E N 0.510 120.603 120.200 -0.178 0.000 2.106 488 E HA -0.160 4.142 4.350 -0.081 0.000 0.192 488 E C 2.397 178.873 176.600 -0.207 0.000 0.984 488 E CA 0.915 57.126 56.400 -0.315 0.000 0.806 488 E CB -0.372 29.240 29.700 -0.146 0.000 0.750 488 E HN 0.500 nan 8.360 nan 0.000 0.458 489 R N -0.269 120.191 120.500 -0.068 0.000 2.096 489 R HA -0.099 4.192 4.340 -0.081 0.000 0.235 489 R C 2.317 178.608 176.300 -0.016 0.000 1.127 489 R CA 1.040 57.123 56.100 -0.029 0.000 0.968 489 R CB -0.464 29.851 30.300 0.025 0.000 0.861 489 R HN 0.146 nan 8.270 nan 0.000 0.440 490 F N 2.327 122.198 119.950 -0.131 0.000 2.095 490 F HA -0.233 4.243 4.527 -0.086 0.000 0.298 490 F C 1.971 177.667 175.800 -0.172 0.000 1.104 490 F CA 1.643 59.588 58.000 -0.091 0.000 1.232 490 F CB 0.045 39.040 39.000 -0.008 0.000 0.987 490 F HN -0.171 nan 8.300 nan 0.000 0.475 491 K N -0.139 120.070 120.400 -0.318 0.000 2.057 491 K HA -0.206 4.066 4.320 -0.081 0.000 0.207 491 K C 2.031 178.468 176.600 -0.271 0.000 1.049 491 K CA 1.834 57.788 56.287 -0.556 0.000 0.931 491 K CB -0.399 31.508 32.500 -0.988 0.000 0.714 491 K HN 0.459 nan 8.250 nan 0.000 0.440 492 Q N 0.282 119.952 119.800 -0.217 0.000 2.096 492 Q HA -0.174 4.117 4.340 -0.081 0.000 0.204 492 Q C 2.389 178.323 176.000 -0.110 0.000 0.982 492 Q CA 1.594 57.320 55.803 -0.129 0.000 0.850 492 Q CB -0.318 28.360 28.738 -0.100 0.000 0.901 492 Q HN 0.352 nan 8.270 nan 0.000 0.422 493 C N -0.235 118.981 119.300 -0.139 0.000 2.440 493 C HA -0.061 4.351 4.460 -0.081 0.000 0.278 493 C C 2.692 177.592 174.990 -0.151 0.000 1.295 493 C CA 0.244 59.181 59.018 -0.136 0.000 1.738 493 C CB -0.704 26.948 27.740 -0.148 0.000 1.987 493 C HN 0.347 nan 8.230 nan 0.000 0.492 494 V N 0.930 120.724 119.914 -0.199 0.000 2.343 494 V HA -0.248 3.824 4.120 -0.081 0.000 0.247 494 V C 2.528 178.601 176.094 -0.035 0.000 1.051 494 V CA 2.296 64.535 62.300 -0.100 0.000 1.036 494 V CB -0.729 31.113 31.823 0.030 0.000 0.654 494 V HN 0.632 nan 8.190 nan 0.000 0.451 495 E N 0.001 120.190 120.200 -0.017 0.000 2.051 495 E HA -0.220 4.082 4.350 -0.081 0.000 0.192 495 E C 2.224 178.805 176.600 -0.031 0.000 0.991 495 E CA 1.904 58.298 56.400 -0.010 0.000 0.799 495 E CB -0.128 29.569 29.700 -0.005 0.000 0.748 495 E HN 0.614 nan 8.360 nan 0.000 0.449 496 T N 1.635 116.163 114.554 -0.044 0.000 2.788 496 T HA -0.105 4.196 4.350 -0.081 0.000 0.268 496 T C 1.873 176.548 174.700 -0.042 0.000 1.044 496 T CA 0.991 63.067 62.100 -0.041 0.000 1.139 496 T CB -0.151 68.691 68.868 -0.043 0.000 0.867 496 T HN 0.172 nan 8.240 nan 0.000 0.454 497 L N 0.789 121.981 121.223 -0.052 0.000 2.362 497 L HA 0.047 4.339 4.340 -0.081 0.000 0.219 497 L C 2.772 179.615 176.870 -0.045 0.000 1.134 497 L CA 0.783 55.591 54.840 -0.052 0.000 0.807 497 L CB -0.662 41.356 42.059 -0.067 0.000 0.927 497 L HN 0.328 nan 8.230 nan 0.000 0.447 498 G N -0.816 107.959 108.800 -0.042 0.000 2.625 498 G HA2 -0.071 3.841 3.960 -0.081 0.000 0.214 498 G HA3 -0.071 3.841 3.960 -0.081 0.000 0.214 498 G C 0.488 175.369 174.900 -0.033 0.000 1.132 498 G CA -0.272 44.804 45.100 -0.039 0.000 0.782 498 G HN 0.227 nan 8.290 nan 0.000 0.538 499 R N 0.000 120.482 120.500 -0.031 0.000 2.786 499 R HA 0.000 4.292 4.340 -0.081 0.000 0.208 499 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 499 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 499 R HN 0.000 nan 8.270 nan 0.000 0.535