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 3iro_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD EHGGIGDGRS IPWNVPEDMK DATA SEQUENCE FFRDLTTKLR GKNVKPSPAK RNAVVMGRKT WDSIPPKFRP LPGRLNVVLS DATA SEQUENCE STLTTQHLLD GLPDEEKRNL HADSIVAVNG GLEQALRLLA SPNYTPSIET DATA SEQUENCE VYCIGGGSVY AEALRPPCVH LLQAIYRTTI RASESSCSVF FRVPESGTEA DATA SEQUENCE AAGIEWQRET ISEELTSANG NETKYYFEKL IPRNREEEQY LSLVDRIIRE DATA SEQUENCE GNVKHDRTGV GTLSIFGAQM RFSLRNNRLP LLTTKRVFWR GVCEELLWFL DATA SEQUENCE RGETYAKKLS DKGVHIWDDN GSRAFLDSRG LTEYEEMDLG PVYGFQWRHF DATA SEQUENCE GAAYTHHDAN YDGQGVDQIK AIVETLKTNP DDRRMLFTAW NPSALPRMAL DATA SEQUENCE PPCHLLAQFY VSNGELSCML YQRSCDMGLG VPFNIASYAL LTILIAKATG DATA SEQUENCE LRPGELVHTL GDAHVYSNHV EPCNEQLKRV PRAFPYLVFR REREFLEDYE DATA SEQUENCE EGDMEVIDYA PYPPISMK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.254 176.300 -0.077 0.000 1.140 1 M CA 0.000 55.449 55.300 0.248 0.000 0.988 1 M CB 0.000 32.707 32.600 0.179 0.000 1.302 2 S N 0.568 116.148 115.700 -0.201 0.000 4.130 2 S HA -0.262 3.523 4.470 -1.141 0.000 0.326 2 S C 1.017 175.639 174.600 0.036 0.000 1.851 2 S CA 2.099 60.162 58.200 -0.228 0.000 4.216 2 S CB -1.553 61.623 63.200 -0.040 0.000 0.301 2 S HN 0.603 nan 8.310 nan 0.000 0.455 3 L N 0.526 121.718 121.223 -0.051 0.000 2.191 3 L HA -0.101 3.555 4.340 -1.141 0.000 0.212 3 L C 2.203 179.068 176.870 -0.008 0.000 1.103 3 L CA 1.604 56.411 54.840 -0.055 0.000 0.769 3 L CB -0.494 41.457 42.059 -0.180 0.000 0.908 3 L HN 0.345 nan 8.230 nan 0.000 0.438 4 F N 0.336 120.294 119.950 0.013 0.000 2.186 4 F HA -0.079 3.764 4.527 -1.141 0.000 0.299 4 F C 1.587 177.396 175.800 0.015 0.000 1.090 4 F CA 0.663 58.672 58.000 0.014 0.000 1.307 4 F CB -0.419 38.581 39.000 0.001 0.000 1.019 4 F HN -0.037 nan 8.300 nan 0.000 0.489 5 K N 0.173 120.678 120.400 0.174 0.000 2.098 5 K HA 0.425 4.060 4.320 -1.141 0.000 0.244 5 K C -0.372 176.399 176.600 0.285 0.000 1.014 5 K CA -0.538 55.837 56.287 0.147 0.000 0.917 5 K CB 1.047 33.476 32.500 -0.118 0.000 1.072 5 K HN -0.125 nan 8.250 nan 0.000 0.477 6 I N 2.184 122.932 120.570 0.298 0.000 2.291 6 I HA 0.168 3.653 4.170 -1.141 0.000 0.290 6 I C 0.309 176.557 176.117 0.219 0.000 1.050 6 I CA -0.453 60.975 61.300 0.214 0.000 1.245 6 I CB 0.809 38.871 38.000 0.103 0.000 1.405 6 I HN 0.392 nan 8.210 nan 0.000 0.478 7 R N 6.991 127.548 120.500 0.095 0.000 2.442 7 R HA 0.271 3.926 4.340 -1.141 0.000 0.291 7 R C -0.323 175.890 176.300 -0.144 0.000 1.069 7 R CA -0.505 55.464 56.100 -0.219 0.000 1.022 7 R CB 0.612 30.757 30.300 -0.259 0.000 0.976 7 R HN 0.472 nan 8.270 nan 0.000 0.443 8 M N 6.615 126.112 119.600 -0.172 0.000 2.211 8 M HA 0.243 4.039 4.480 -1.141 0.000 0.356 8 M C -1.818 174.415 176.300 -0.112 0.000 1.216 8 M CA -2.272 52.970 55.300 -0.096 0.000 1.134 8 M CB 0.756 33.332 32.600 -0.039 0.000 1.564 8 M HN 0.518 nan 8.290 nan 0.000 0.463 9 P HA 0.059 nan 4.420 nan 0.000 0.272 9 P C 0.353 177.610 177.300 -0.071 0.000 1.240 9 P CA -0.080 62.973 63.100 -0.078 0.000 0.791 9 P CB 0.479 32.139 31.700 -0.066 0.000 0.978 10 E N 0.406 120.568 120.200 -0.063 0.000 2.097 10 E HA -0.219 3.446 4.350 -1.141 0.000 0.196 10 E C 1.162 177.736 176.600 -0.044 0.000 1.000 10 E CA 2.027 58.395 56.400 -0.053 0.000 0.804 10 E CB -1.333 28.340 29.700 -0.044 0.000 0.740 10 E HN 0.526 nan 8.360 nan 0.000 0.454 11 T N -0.688 113.842 114.554 -0.041 0.000 3.320 11 T HA 0.042 3.707 4.350 -1.141 0.000 0.258 11 T C 1.684 176.360 174.700 -0.040 0.000 1.176 11 T CA 0.561 62.641 62.100 -0.034 0.000 1.037 11 T CB 0.097 68.946 68.868 -0.031 0.000 0.958 11 T HN 0.148 nan 8.240 nan 0.000 0.545 12 V N 0.840 120.724 119.914 -0.049 0.000 2.527 12 V HA -0.112 3.323 4.120 -1.141 0.000 0.255 12 V C 2.423 178.479 176.094 -0.063 0.000 1.081 12 V CA 2.109 64.372 62.300 -0.062 0.000 1.092 12 V CB -1.048 30.746 31.823 -0.047 0.000 0.673 12 V HN 0.762 nan 8.190 nan 0.000 0.470 13 A N -1.589 121.211 122.820 -0.032 0.000 2.343 13 A HA 0.181 3.817 4.320 -1.141 0.000 0.223 13 A C 2.022 179.611 177.584 0.008 0.000 1.214 13 A CA 0.601 52.633 52.037 -0.008 0.000 0.900 13 A CB -0.185 18.821 19.000 0.009 0.000 0.942 13 A HN 0.638 nan 8.150 nan 0.000 0.507 14 E N 0.143 120.341 120.200 -0.003 0.000 2.072 14 E HA -0.093 3.573 4.350 -1.141 0.000 0.190 14 E C 1.764 178.373 176.600 0.015 0.000 0.982 14 E CA 1.058 57.462 56.400 0.006 0.000 0.803 14 E CB -0.199 29.498 29.700 -0.004 0.000 0.755 14 E HN 0.487 nan 8.360 nan 0.000 0.453 15 G N -0.905 107.901 108.800 0.009 0.000 2.880 15 G HA2 -0.055 3.220 3.960 -1.141 0.000 0.209 15 G HA3 -0.055 3.220 3.960 -1.141 0.000 0.209 15 G C 1.082 176.012 174.900 0.051 0.000 1.157 15 G CA 0.636 45.749 45.100 0.022 0.000 0.779 15 G HN 0.188 nan 8.290 nan 0.000 0.539 16 T N -0.468 114.127 114.554 0.069 0.000 2.985 16 T HA 0.243 3.908 4.350 -1.141 0.000 0.254 16 T C 1.109 175.895 174.700 0.142 0.000 1.021 16 T CA -0.621 61.563 62.100 0.140 0.000 0.957 16 T CB 0.640 69.649 68.868 0.235 0.000 1.047 16 T HN 0.138 nan 8.240 nan 0.000 0.511 17 R N 1.775 122.334 120.500 0.099 0.000 2.585 17 R HA 0.159 3.815 4.340 -1.141 0.000 0.275 17 R C -0.534 175.808 176.300 0.069 0.000 1.018 17 R CA -0.276 55.875 56.100 0.084 0.000 1.072 17 R CB 0.085 30.419 30.300 0.057 0.000 0.953 17 R HN 0.110 nan 8.270 nan 0.000 0.419 18 L N 4.566 125.824 121.223 0.058 0.000 2.313 18 L HA 0.211 3.866 4.340 -1.141 0.000 0.282 18 L C 0.597 177.479 176.870 0.020 0.000 1.092 18 L CA 0.681 55.538 54.840 0.029 0.000 0.831 18 L CB 1.308 43.370 42.059 0.005 0.000 1.159 18 L HN 0.823 nan 8.230 nan 0.000 0.442 19 A N 5.997 128.828 122.820 0.019 0.000 1.871 19 A HA 0.293 3.929 4.320 -1.141 0.000 0.211 19 A C 0.565 178.158 177.584 0.016 0.000 1.207 19 A CA 0.657 52.708 52.037 0.023 0.000 0.620 19 A CB -0.131 18.890 19.000 0.035 0.000 0.860 19 A HN 0.575 nan 8.150 nan 0.000 0.450 20 L N 0.210 121.435 121.223 0.004 0.000 2.381 20 L HA 0.486 4.142 4.340 -1.141 0.000 0.274 20 L C -0.254 176.587 176.870 -0.047 0.000 0.988 20 L CA -1.020 53.825 54.840 0.008 0.000 0.824 20 L CB 1.861 43.954 42.059 0.056 0.000 1.263 20 L HN 0.240 nan 8.230 nan 0.000 0.410 21 R N 2.605 123.088 120.500 -0.028 0.000 2.539 21 R HA 0.546 4.202 4.340 -1.141 0.000 0.275 21 R C -0.249 176.051 176.300 -0.001 0.000 1.077 21 R CA 0.023 56.083 56.100 -0.067 0.000 1.097 21 R CB 1.062 31.352 30.300 -0.016 0.000 1.018 21 R HN 0.678 nan 8.270 nan 0.000 0.483 22 A N 3.846 126.587 122.820 -0.132 0.000 2.332 22 A HA 0.550 4.185 4.320 -1.141 0.000 0.258 22 A C -0.640 177.050 177.584 0.177 0.000 1.087 22 A CA -0.014 52.014 52.037 -0.015 0.000 0.802 22 A CB -0.134 18.840 19.000 -0.043 0.000 1.042 22 A HN 0.732 nan 8.150 nan 0.000 0.489 23 F N -1.425 118.537 119.950 0.020 0.000 2.741 23 F HA 0.747 4.590 4.527 -1.140 0.000 0.313 23 F C -0.414 175.426 175.800 0.067 0.000 1.153 23 F CA -0.773 57.220 58.000 -0.010 0.000 0.931 23 F CB 0.849 39.846 39.000 -0.005 0.000 1.335 23 F HN 0.408 nan 8.300 nan 0.000 0.460 24 S N 1.311 117.125 115.700 0.190 0.000 2.648 24 S HA 0.778 4.563 4.470 -1.141 0.000 0.305 24 S C -1.467 173.491 174.600 0.597 0.000 1.094 24 S CA -0.845 57.535 58.200 0.300 0.000 0.983 24 S CB 1.844 65.295 63.200 0.419 0.000 1.101 24 S HN 0.859 nan 8.310 nan 0.000 0.514 25 L N 2.120 123.685 121.223 0.570 0.000 2.381 25 L HA 0.811 4.466 4.340 -1.141 0.000 0.274 25 L C -1.331 175.845 176.870 0.510 0.000 0.988 25 L CA -0.653 54.529 54.840 0.570 0.000 0.824 25 L CB 1.436 43.809 42.059 0.524 0.000 1.263 25 L HN 0.506 nan 8.230 nan 0.000 0.410 26 V N 6.556 126.737 119.914 0.445 0.000 2.417 26 V HA 0.765 4.200 4.120 -1.141 0.000 0.291 26 V C -1.162 175.083 176.094 0.252 0.000 1.024 26 V CA -0.127 62.378 62.300 0.342 0.000 0.861 26 V CB 1.872 33.818 31.823 0.205 0.000 0.985 26 V HN 0.641 nan 8.190 nan 0.000 0.436 27 V N 5.902 125.845 119.914 0.049 0.000 3.147 27 V HA 0.984 4.419 4.120 -1.141 0.000 0.306 27 V C -0.614 175.397 176.094 -0.139 0.000 1.209 27 V CA 0.120 62.303 62.300 -0.196 0.000 1.023 27 V CB 2.478 33.689 31.823 -1.021 0.000 1.059 27 V HN 1.404 nan 8.190 nan 0.000 0.435 28 A N 3.665 126.428 122.820 -0.094 0.000 2.356 28 A HA 0.939 4.574 4.320 -1.141 0.000 0.310 28 A C -0.784 176.871 177.584 0.117 0.000 1.075 28 A CA 0.004 52.067 52.037 0.044 0.000 0.746 28 A CB 1.629 20.748 19.000 0.199 0.000 1.221 28 A HN 1.961 nan 8.150 nan 0.000 0.443 29 V N -0.485 119.434 119.914 0.009 0.000 3.158 29 V HA 0.898 4.334 4.120 -1.141 0.000 0.311 29 V C -0.938 174.956 176.094 -0.334 0.000 1.181 29 V CA -0.871 61.426 62.300 -0.005 0.000 1.054 29 V CB 1.951 33.759 31.823 -0.026 0.000 1.085 29 V HN 0.927 nan 8.190 nan 0.000 0.446 30 D N -1.118 119.074 120.400 -0.346 0.000 2.326 30 D HA 0.337 4.292 4.640 -1.141 0.000 0.248 30 D C 0.685 176.786 176.300 -0.332 0.000 1.001 30 D CA -0.594 53.079 54.000 -0.545 0.000 0.961 30 D CB 1.160 41.650 40.800 -0.516 0.000 1.183 30 D HN 0.688 nan 8.370 nan 0.000 0.502 31 E N -0.784 119.180 120.200 -0.394 0.000 2.324 31 E HA -0.271 3.394 4.350 -1.141 0.000 0.205 31 E C 0.760 177.168 176.600 -0.321 0.000 1.031 31 E CA 1.231 57.413 56.400 -0.363 0.000 0.836 31 E CB -0.206 29.220 29.700 -0.456 0.000 0.742 31 E HN 0.485 nan 8.360 nan 0.000 0.491 32 H N -1.463 117.606 119.070 -0.001 0.000 2.551 32 H HA 0.183 4.054 4.556 -1.141 0.000 0.271 32 H C 1.460 176.916 175.328 0.213 0.000 0.984 32 H CA 0.807 56.929 56.048 0.124 0.000 1.164 32 H CB 1.225 31.082 29.762 0.159 0.000 1.437 32 H HN 0.327 nan 8.280 nan 0.000 0.550 33 G N 0.632 109.522 108.800 0.150 0.000 2.141 33 G HA2 -0.217 3.058 3.960 -1.141 0.000 0.231 33 G HA3 -0.217 3.058 3.960 -1.141 0.000 0.231 33 G C 0.772 175.672 174.900 0.001 0.000 0.984 33 G CA 0.068 45.273 45.100 0.174 0.000 0.660 33 G HN 0.699 nan 8.290 nan 0.000 0.525 34 G N -0.169 108.514 108.800 -0.195 0.000 2.415 34 G HA2 0.619 3.894 3.960 -1.141 0.000 0.269 34 G HA3 0.619 3.894 3.960 -1.141 0.000 0.269 34 G C 1.219 176.135 174.900 0.026 0.000 1.209 34 G CA -0.117 44.795 45.100 -0.312 0.000 0.835 34 G HN 1.096 nan 8.290 nan 0.000 0.534 35 I N 0.281 120.876 120.570 0.042 0.000 2.867 35 I HA 0.542 4.028 4.170 -1.141 0.000 0.265 35 I C 0.861 177.021 176.117 0.072 0.000 1.162 35 I CA 0.339 61.710 61.300 0.119 0.000 1.471 35 I CB 0.292 38.356 38.000 0.107 0.000 1.123 35 I HN 0.671 nan 8.210 nan 0.000 0.440 36 G N 0.762 109.575 108.800 0.021 0.000 2.340 36 G HA2 0.085 3.360 3.960 -1.141 0.000 0.298 36 G HA3 0.085 3.360 3.960 -1.141 0.000 0.298 36 G C -1.996 172.881 174.900 -0.038 0.000 1.498 36 G CA -0.493 44.572 45.100 -0.059 0.000 0.847 36 G HN 0.038 nan 8.290 nan 0.000 0.594 37 D N 0.426 120.800 120.400 -0.042 0.000 2.741 37 D HA 0.442 4.398 4.640 -1.141 0.000 0.233 37 D C 1.709 177.992 176.300 -0.027 0.000 1.160 37 D CA 0.965 54.952 54.000 -0.022 0.000 1.003 37 D CB -0.531 40.264 40.800 -0.007 0.000 1.064 37 D HN 1.386 nan 8.370 nan 0.000 0.503 38 G N 2.377 111.163 108.800 -0.024 0.000 2.429 38 G HA2 -0.380 2.895 3.960 -1.141 0.000 0.314 38 G HA3 -0.380 2.895 3.960 -1.141 0.000 0.314 38 G C 1.408 176.286 174.900 -0.036 0.000 0.957 38 G CA 1.410 46.496 45.100 -0.022 0.000 0.806 38 G HN 0.514 nan 8.290 nan 0.000 0.511 39 R N -0.554 119.912 120.500 -0.056 0.000 2.470 39 R HA 0.364 4.020 4.340 -1.141 0.000 0.210 39 R C 0.901 177.145 176.300 -0.094 0.000 0.873 39 R CA 1.530 57.592 56.100 -0.063 0.000 1.015 39 R CB 0.340 30.609 30.300 -0.051 0.000 1.348 39 R HN 0.967 nan 8.270 nan 0.000 0.650 40 S N -1.315 114.308 115.700 -0.127 0.000 2.656 40 S HA 0.355 4.140 4.470 -1.141 0.000 0.265 40 S C -0.911 173.519 174.600 -0.284 0.000 1.110 40 S CA -0.947 57.144 58.200 -0.182 0.000 0.821 40 S CB 0.216 63.319 63.200 -0.162 0.000 1.099 40 S HN 0.029 nan 8.310 nan 0.000 0.471 41 I N 1.958 122.295 120.570 -0.388 0.000 2.282 41 I HA 0.293 3.778 4.170 -1.141 0.000 0.290 41 I C -1.927 173.770 176.117 -0.700 0.000 1.090 41 I CA -2.180 58.698 61.300 -0.704 0.000 1.231 41 I CB 1.020 38.604 38.000 -0.692 0.000 1.434 41 I HN 0.501 nan 8.210 nan 0.000 0.487 42 P HA -0.100 nan 4.420 nan 0.000 0.234 42 P C -0.971 176.212 177.300 -0.195 0.000 1.162 42 P CA 1.002 63.905 63.100 -0.328 0.000 0.759 42 P CB -0.046 31.612 31.700 -0.069 0.000 0.813 43 W N -1.078 120.188 121.300 -0.057 0.000 3.132 43 W HA 0.397 4.373 4.660 -1.141 0.000 0.337 43 W C -1.159 175.317 176.519 -0.072 0.000 1.082 43 W CA -0.740 56.569 57.345 -0.059 0.000 1.242 43 W CB 0.125 29.549 29.460 -0.061 0.000 1.354 43 W HN -0.292 nan 8.180 nan 0.000 0.461 44 N N 2.586 121.339 118.700 0.088 0.000 2.446 44 N HA 0.404 4.459 4.740 -1.141 0.000 0.265 44 N C -0.999 174.539 175.510 0.047 0.000 0.975 44 N CA -0.491 52.574 53.050 0.026 0.000 0.928 44 N CB 3.033 41.499 38.487 -0.035 0.000 1.160 44 N HN 0.200 nan 8.380 nan 0.000 0.495 45 V N 4.770 124.702 119.914 0.030 0.000 2.357 45 V HA 0.235 3.670 4.120 -1.141 0.000 0.284 45 V C -1.140 174.907 176.094 -0.079 0.000 1.018 45 V CA -1.502 60.770 62.300 -0.047 0.000 0.841 45 V CB 1.796 33.532 31.823 -0.145 0.000 0.991 45 V HN 0.454 nan 8.190 nan 0.000 0.437 46 P HA -0.237 nan 4.420 nan 0.000 0.214 46 P C 1.171 178.455 177.300 -0.027 0.000 1.172 46 P CA 1.664 64.746 63.100 -0.030 0.000 0.925 46 P CB 0.560 32.254 31.700 -0.011 0.000 0.793 47 E N -0.149 120.015 120.200 -0.060 0.000 2.097 47 E HA -0.205 3.460 4.350 -1.141 0.000 0.196 47 E C 2.065 178.696 176.600 0.052 0.000 1.000 47 E CA 1.609 58.006 56.400 -0.006 0.000 0.804 47 E CB -1.092 28.600 29.700 -0.014 0.000 0.740 47 E HN 0.466 nan 8.360 nan 0.000 0.454 48 D N -0.044 120.305 120.400 -0.085 0.000 2.097 48 D HA -0.186 3.770 4.640 -1.141 0.000 0.197 48 D C 1.913 178.337 176.300 0.206 0.000 0.984 48 D CA 1.131 55.203 54.000 0.120 0.000 0.826 48 D CB -0.059 40.717 40.800 -0.040 0.000 0.973 48 D HN 0.103 nan 8.370 nan 0.000 0.460 49 M N 1.171 120.825 119.600 0.089 0.000 2.192 49 M HA -0.190 3.606 4.480 -1.141 0.000 0.259 49 M C 2.066 178.440 176.300 0.123 0.000 1.071 49 M CA 1.526 56.880 55.300 0.090 0.000 1.082 49 M CB -0.316 32.294 32.600 0.017 0.000 1.373 49 M HN -0.003 nan 8.290 nan 0.000 0.408 50 K N -1.488 118.976 120.400 0.106 0.000 2.116 50 K HA -0.146 3.489 4.320 -1.141 0.000 0.203 50 K C 1.954 178.597 176.600 0.073 0.000 1.052 50 K CA 1.103 57.433 56.287 0.071 0.000 0.952 50 K CB -0.380 32.159 32.500 0.064 0.000 0.729 50 K HN 0.322 nan 8.250 nan 0.000 0.446 51 F N 1.208 121.157 119.950 -0.001 0.000 2.102 51 F HA -0.196 3.647 4.527 -1.141 0.000 0.298 51 F C 1.853 177.577 175.800 -0.126 0.000 1.105 51 F CA 1.571 59.520 58.000 -0.085 0.000 1.239 51 F CB -0.571 38.378 39.000 -0.085 0.000 0.991 51 F HN 0.100 nan 8.300 nan 0.000 0.474 52 F N 1.154 121.038 119.950 -0.110 0.000 2.126 52 F HA -0.201 3.641 4.527 -1.141 0.000 0.299 52 F C 2.660 178.259 175.800 -0.334 0.000 1.096 52 F CA 2.188 60.030 58.000 -0.264 0.000 1.255 52 F CB -0.601 38.347 39.000 -0.088 0.000 0.997 52 F HN -0.038 nan 8.300 nan 0.000 0.479 53 R N 0.597 120.954 120.500 -0.238 0.000 2.088 53 R HA -0.194 3.462 4.340 -1.141 0.000 0.232 53 R C 2.056 178.106 176.300 -0.417 0.000 1.136 53 R CA 2.398 58.326 56.100 -0.286 0.000 0.926 53 R CB -0.754 29.491 30.300 -0.090 0.000 0.837 53 R HN 0.257 nan 8.270 nan 0.000 0.429 54 D N 0.613 120.806 120.400 -0.345 0.000 2.123 54 D HA -0.188 3.767 4.640 -1.141 0.000 0.196 54 D C 1.942 177.943 176.300 -0.498 0.000 0.992 54 D CA 1.142 54.938 54.000 -0.340 0.000 0.833 54 D CB -0.358 40.297 40.800 -0.241 0.000 0.954 54 D HN 0.218 nan 8.370 nan 0.000 0.455 55 L N 1.005 121.753 121.223 -0.791 0.000 2.042 55 L HA -0.160 3.496 4.340 -1.141 0.000 0.210 55 L C 2.236 178.511 176.870 -0.990 0.000 1.076 55 L CA 2.245 56.484 54.840 -1.003 0.000 0.749 55 L CB -0.957 40.159 42.059 -1.571 0.000 0.893 55 L HN 0.121 nan 8.230 nan 0.000 0.432 56 T N -6.313 107.604 114.554 -1.062 0.000 3.081 56 T HA 0.043 3.708 4.350 -1.141 0.000 0.255 56 T C 1.477 175.960 174.700 -0.362 0.000 1.113 56 T CA 0.925 62.503 62.100 -0.871 0.000 1.082 56 T CB -0.300 67.967 68.868 -1.001 0.000 0.939 56 T HN 0.315 nan 8.240 nan 0.000 0.506 57 T N 1.090 115.436 114.554 -0.346 0.000 3.044 57 T HA 0.207 3.872 4.350 -1.141 0.000 0.237 57 T C 0.720 175.346 174.700 -0.123 0.000 1.001 57 T CA 0.090 62.079 62.100 -0.186 0.000 1.160 57 T CB 0.090 68.851 68.868 -0.179 0.000 0.889 57 T HN 0.360 nan 8.240 nan 0.000 0.442 58 K N 1.370 121.678 120.400 -0.154 0.000 2.440 58 K HA 0.291 3.927 4.320 -1.141 0.000 0.270 58 K C -0.576 175.992 176.600 -0.054 0.000 0.980 58 K CA 0.225 56.451 56.287 -0.101 0.000 0.953 58 K CB 0.335 32.761 32.500 -0.124 0.000 0.925 58 K HN 0.181 nan 8.250 nan 0.000 0.497 59 L N 1.711 122.914 121.223 -0.033 0.000 2.313 59 L HA 0.436 4.092 4.340 -1.141 0.000 0.268 59 L C 0.223 177.084 176.870 -0.015 0.000 1.010 59 L CA -1.144 53.689 54.840 -0.012 0.000 0.814 59 L CB 1.508 43.563 42.059 -0.006 0.000 1.304 59 L HN 0.464 nan 8.230 nan 0.000 0.441 60 R N 0.743 121.238 120.500 -0.008 0.000 2.570 60 R HA 0.369 4.025 4.340 -1.141 0.000 0.277 60 R C 0.202 176.494 176.300 -0.014 0.000 1.039 60 R CA 0.540 56.630 56.100 -0.016 0.000 1.065 60 R CB 0.160 30.448 30.300 -0.021 0.000 0.964 60 R HN 0.859 nan 8.270 nan 0.000 0.428 61 G N 2.681 111.471 108.800 -0.016 0.000 3.038 61 G HA2 -0.271 3.004 3.960 -1.141 0.000 0.241 61 G HA3 -0.271 3.004 3.960 -1.141 0.000 0.241 61 G C -0.273 174.622 174.900 -0.009 0.000 0.968 61 G CA -0.498 44.596 45.100 -0.011 0.000 0.949 61 G HN 0.538 nan 8.290 nan 0.000 0.394 62 K N 0.802 121.196 120.400 -0.010 0.000 2.170 62 K HA 0.228 3.864 4.320 -1.141 0.000 0.241 62 K C 1.341 177.936 176.600 -0.007 0.000 1.071 62 K CA 0.393 56.674 56.287 -0.011 0.000 0.822 62 K CB 0.060 32.554 32.500 -0.011 0.000 1.097 62 K HN 0.709 nan 8.250 nan 0.000 0.522 63 N N -1.524 117.172 118.700 -0.007 0.000 2.741 63 N HA -0.158 3.897 4.740 -1.141 0.000 0.250 63 N C -1.936 173.573 175.510 -0.002 0.000 1.115 63 N CA 0.582 53.630 53.050 -0.004 0.000 0.724 63 N CB -0.772 37.714 38.487 -0.001 0.000 1.090 63 N HN 0.141 nan 8.380 nan 0.000 0.558 64 V N 0.148 120.059 119.914 -0.004 0.000 2.559 64 V HA 0.228 3.663 4.120 -1.141 0.000 0.289 64 V C 0.018 176.109 176.094 -0.005 0.000 1.036 64 V CA -0.989 61.310 62.300 -0.002 0.000 0.887 64 V CB 1.776 33.600 31.823 0.001 0.000 1.022 64 V HN 0.221 nan 8.190 nan 0.000 0.442 65 K N 4.347 124.745 120.400 -0.003 0.000 2.118 65 K HA 0.749 4.384 4.320 -1.141 0.000 0.267 65 K C -2.727 173.873 176.600 -0.001 0.000 0.991 65 K CA -1.662 54.622 56.287 -0.006 0.000 0.916 65 K CB 0.888 33.385 32.500 -0.004 0.000 1.041 65 K HN 0.278 nan 8.250 nan 0.000 0.455 66 P HA -0.064 nan 4.420 nan 0.000 0.269 66 P C -1.038 176.271 177.300 0.014 0.000 1.211 66 P CA -0.009 63.094 63.100 0.005 0.000 0.781 66 P CB 0.593 32.293 31.700 0.001 0.000 0.877 67 S N -0.091 115.622 115.700 0.021 0.000 2.588 67 S HA 0.439 4.224 4.470 -1.141 0.000 0.269 67 S C -2.616 172.005 174.600 0.035 0.000 1.157 67 S CA -1.249 56.967 58.200 0.027 0.000 0.824 67 S CB 1.338 64.552 63.200 0.023 0.000 1.126 67 S HN 0.063 nan 8.310 nan 0.000 0.464 68 P HA 0.096 nan 4.420 nan 0.000 0.223 68 P C 1.060 178.389 177.300 0.049 0.000 1.144 68 P CA 1.510 64.639 63.100 0.048 0.000 0.783 68 P CB -0.057 31.670 31.700 0.045 0.000 0.771 69 A N -2.104 120.739 122.820 0.038 0.000 2.220 69 A HA 0.178 3.814 4.320 -1.141 0.000 0.211 69 A C 0.930 178.537 177.584 0.037 0.000 1.176 69 A CA 0.627 52.686 52.037 0.036 0.000 0.834 69 A CB -0.173 18.844 19.000 0.027 0.000 0.868 69 A HN -0.032 nan 8.150 nan 0.000 0.488 70 K N 0.306 120.728 120.400 0.036 0.000 2.767 70 K HA 0.316 3.951 4.320 -1.141 0.000 0.286 70 K C -1.007 175.609 176.600 0.028 0.000 1.177 70 K CA -0.158 56.148 56.287 0.032 0.000 1.078 70 K CB 0.279 32.795 32.500 0.026 0.000 1.358 70 K HN 0.537 nan 8.250 nan 0.000 0.531 71 R N 1.104 121.623 120.500 0.031 0.000 2.764 71 R HA 0.611 4.267 4.340 -1.141 0.000 0.270 71 R C -0.511 175.801 176.300 0.021 0.000 1.014 71 R CA -1.120 54.995 56.100 0.024 0.000 0.904 71 R CB 0.696 31.013 30.300 0.028 0.000 1.236 71 R HN 0.170 nan 8.270 nan 0.000 0.466 72 N N -0.365 118.347 118.700 0.020 0.000 2.405 72 N HA 0.658 4.713 4.740 -1.141 0.000 0.269 72 N C -0.917 174.603 175.510 0.016 0.000 1.249 72 N CA -0.309 52.756 53.050 0.025 0.000 0.974 72 N CB 1.471 40.012 38.487 0.091 0.000 1.204 72 N HN 0.723 nan 8.380 nan 0.000 0.565 73 A N -0.393 122.434 122.820 0.012 0.000 2.515 73 A HA 0.620 4.255 4.320 -1.141 0.000 0.298 73 A C -0.844 176.763 177.584 0.039 0.000 1.059 73 A CA -0.679 51.350 52.037 -0.013 0.000 0.698 73 A CB 1.050 19.996 19.000 -0.089 0.000 1.289 73 A HN 0.395 nan 8.150 nan 0.000 0.404 74 V N -0.444 119.493 119.914 0.038 0.000 2.680 74 V HA 0.878 4.313 4.120 -1.141 0.000 0.309 74 V C -0.633 175.474 176.094 0.021 0.000 1.052 74 V CA -0.748 61.605 62.300 0.089 0.000 0.908 74 V CB 1.232 33.144 31.823 0.148 0.000 1.001 74 V HN 0.744 nan 8.190 nan 0.000 0.431 75 V N 6.369 126.285 119.914 0.003 0.000 2.513 75 V HA 0.769 4.204 4.120 -1.141 0.000 0.299 75 V C 0.069 176.138 176.094 -0.043 0.000 1.035 75 V CA -0.296 61.965 62.300 -0.065 0.000 0.889 75 V CB 1.463 33.198 31.823 -0.148 0.000 0.988 75 V HN 1.154 nan 8.190 nan 0.000 0.440 76 M N 2.893 122.465 119.600 -0.047 0.000 2.465 76 M HA 0.780 4.576 4.480 -1.141 0.000 0.284 76 M C -0.083 176.191 176.300 -0.043 0.000 1.212 76 M CA -0.552 54.723 55.300 -0.041 0.000 0.910 76 M CB 1.920 34.540 32.600 0.033 0.000 1.725 76 M HN 0.623 nan 8.290 nan 0.000 0.477 77 G N 1.241 110.004 108.800 -0.062 0.000 2.594 77 G HA2 0.181 3.457 3.960 -1.141 0.000 0.243 77 G HA3 0.181 3.457 3.960 -1.141 0.000 0.243 77 G C 0.522 175.433 174.900 0.019 0.000 1.229 77 G CA -0.431 44.644 45.100 -0.041 0.000 0.843 77 G HN 0.941 nan 8.290 nan 0.000 0.578 78 R N 0.729 121.242 120.500 0.022 0.000 2.105 78 R HA -0.100 3.556 4.340 -1.141 0.000 0.239 78 R C 2.205 178.586 176.300 0.134 0.000 1.135 78 R CA 1.739 57.889 56.100 0.082 0.000 0.967 78 R CB -0.423 29.903 30.300 0.043 0.000 0.861 78 R HN 0.683 nan 8.270 nan 0.000 0.442 79 K N -0.559 119.876 120.400 0.058 0.000 2.002 79 K HA -0.085 3.550 4.320 -1.141 0.000 0.209 79 K C 2.160 178.770 176.600 0.017 0.000 1.048 79 K CA 2.009 58.314 56.287 0.030 0.000 0.930 79 K CB -0.401 32.097 32.500 -0.003 0.000 0.714 79 K HN 0.158 nan 8.250 nan 0.000 0.438 80 T N 1.151 115.707 114.554 0.004 0.000 2.737 80 T HA -0.209 3.456 4.350 -1.141 0.000 0.269 80 T C 1.215 175.918 174.700 0.005 0.000 1.040 80 T CA 1.351 63.434 62.100 -0.028 0.000 1.142 80 T CB -0.268 68.573 68.868 -0.046 0.000 0.861 80 T HN 0.466 nan 8.240 nan 0.000 0.456 81 W N 2.147 123.403 121.300 -0.075 0.000 2.354 81 W HA -0.155 3.820 4.660 -1.141 0.000 0.315 81 W C 1.527 178.009 176.519 -0.061 0.000 1.206 81 W CA 1.270 58.579 57.345 -0.061 0.000 1.290 81 W CB -0.461 28.969 29.460 -0.050 0.000 1.152 81 W HN 0.210 nan 8.180 nan 0.000 0.489 82 D N 0.475 120.851 120.400 -0.040 0.000 2.158 82 D HA -0.193 3.763 4.640 -1.141 0.000 0.197 82 D C 2.367 178.540 176.300 -0.212 0.000 0.995 82 D CA 2.387 56.308 54.000 -0.132 0.000 0.846 82 D CB -0.533 40.265 40.800 -0.003 0.000 0.941 82 D HN 0.241 nan 8.370 nan 0.000 0.456 83 S N -0.464 115.132 115.700 -0.174 0.000 2.607 83 S HA 0.009 3.794 4.470 -1.141 0.000 0.224 83 S C 0.995 175.462 174.600 -0.221 0.000 0.969 83 S CA -0.162 57.932 58.200 -0.177 0.000 0.927 83 S CB -0.236 62.877 63.200 -0.146 0.000 0.772 83 S HN 0.141 nan 8.310 nan 0.000 0.533 84 I N 4.028 124.413 120.570 -0.309 0.000 2.352 84 I HA 0.260 3.746 4.170 -1.141 0.000 0.290 84 I C -2.225 173.683 176.117 -0.348 0.000 1.036 84 I CA -2.714 58.401 61.300 -0.308 0.000 1.336 84 I CB 0.949 38.713 38.000 -0.392 0.000 1.407 84 I HN -0.019 nan 8.210 nan 0.000 0.497 85 P HA 0.003 nan 4.420 nan 0.000 0.257 85 P C -2.177 174.849 177.300 -0.456 0.000 1.189 85 P CA -0.914 61.960 63.100 -0.377 0.000 0.780 85 P CB 0.014 31.432 31.700 -0.469 0.000 0.772 86 P HA -0.256 nan 4.420 nan 0.000 0.220 86 P C 1.403 178.524 177.300 -0.298 0.000 1.149 86 P CA 2.141 65.044 63.100 -0.328 0.000 0.829 86 P CB -0.182 31.380 31.700 -0.229 0.000 0.772 87 K N -1.691 118.454 120.400 -0.426 0.000 2.044 87 K HA -0.025 3.611 4.320 -1.141 0.000 0.204 87 K C 1.112 177.577 176.600 -0.226 0.000 1.049 87 K CA 1.243 57.298 56.287 -0.386 0.000 0.945 87 K CB -0.870 31.278 32.500 -0.587 0.000 0.724 87 K HN 0.068 nan 8.250 nan 0.000 0.440 88 F N 2.079 121.962 119.950 -0.112 0.000 2.725 88 F HA 0.290 4.133 4.527 -1.141 0.000 0.303 88 F C 0.348 176.054 175.800 -0.156 0.000 1.167 88 F CA -0.574 57.362 58.000 -0.107 0.000 1.403 88 F CB -0.565 38.378 39.000 -0.096 0.000 1.077 88 F HN -0.150 nan 8.300 nan 0.000 0.537 89 R N 1.988 122.420 120.500 -0.114 0.000 2.346 89 R HA 0.363 4.018 4.340 -1.141 0.000 0.311 89 R C -2.515 173.679 176.300 -0.177 0.000 0.983 89 R CA -1.675 54.289 56.100 -0.227 0.000 0.880 89 R CB 1.246 31.256 30.300 -0.483 0.000 1.100 89 R HN -0.087 nan 8.270 nan 0.000 0.453 90 P HA 0.154 nan 4.420 nan 0.000 0.285 90 P C -0.571 176.712 177.300 -0.027 0.000 1.269 90 P CA -0.603 62.504 63.100 0.013 0.000 0.844 90 P CB 0.913 32.742 31.700 0.216 0.000 1.094 91 L N 2.367 123.622 121.223 0.053 0.000 2.706 91 L HA 0.018 3.673 4.340 -1.141 0.000 0.282 91 L C -1.496 175.389 176.870 0.024 0.000 1.219 91 L CA -0.962 53.911 54.840 0.056 0.000 0.935 91 L CB -0.850 41.278 42.059 0.113 0.000 1.204 91 L HN 0.264 nan 8.230 nan 0.000 0.491 92 P HA 0.124 nan 4.420 nan 0.000 0.278 92 P C 0.690 177.995 177.300 0.007 0.000 1.238 92 P CA 0.250 63.359 63.100 0.014 0.000 0.794 92 P CB 1.562 33.275 31.700 0.022 0.000 0.955 93 G N 1.829 110.642 108.800 0.021 0.000 2.159 93 G HA2 -0.229 3.047 3.960 -1.141 0.000 0.256 93 G HA3 -0.229 3.047 3.960 -1.141 0.000 0.256 93 G C 0.099 175.000 174.900 0.003 0.000 0.977 93 G CA -0.084 45.020 45.100 0.007 0.000 0.652 93 G HN 0.673 nan 8.290 nan 0.000 0.531 94 R N -1.063 119.446 120.500 0.014 0.000 2.740 94 R HA 0.632 4.287 4.340 -1.141 0.000 0.273 94 R C -0.353 175.960 176.300 0.021 0.000 0.998 94 R CA -0.994 55.114 56.100 0.014 0.000 0.900 94 R CB 1.567 31.870 30.300 0.005 0.000 1.223 94 R HN 0.125 nan 8.270 nan 0.000 0.466 95 L N 2.685 123.909 121.223 0.002 0.000 2.385 95 L HA 0.234 3.889 4.340 -1.141 0.000 0.281 95 L C -0.655 176.195 176.870 -0.034 0.000 1.106 95 L CA 0.016 54.840 54.840 -0.027 0.000 0.856 95 L CB 0.312 42.319 42.059 -0.088 0.000 1.186 95 L HN 0.612 nan 8.230 nan 0.000 0.453 96 N N 4.972 123.664 118.700 -0.014 0.000 2.439 96 N HA 0.144 4.199 4.740 -1.141 0.000 0.243 96 N C -0.813 174.636 175.510 -0.103 0.000 1.088 96 N CA -0.284 52.767 53.050 0.002 0.000 0.940 96 N CB 1.514 40.067 38.487 0.110 0.000 1.180 96 N HN 0.335 nan 8.380 nan 0.000 0.505 97 V N 3.235 123.082 119.914 -0.110 0.000 2.394 97 V HA 0.309 3.745 4.120 -1.141 0.000 0.282 97 V C 0.398 176.400 176.094 -0.153 0.000 1.031 97 V CA -0.635 61.563 62.300 -0.169 0.000 0.881 97 V CB 1.628 33.339 31.823 -0.187 0.000 0.982 97 V HN 0.218 nan 8.190 nan 0.000 0.451 98 V N 6.171 125.955 119.914 -0.217 0.000 2.555 98 V HA 0.472 3.907 4.120 -1.141 0.000 0.302 98 V C -0.125 175.870 176.094 -0.166 0.000 1.038 98 V CA -0.645 61.531 62.300 -0.206 0.000 0.887 98 V CB 1.972 33.559 31.823 -0.394 0.000 0.991 98 V HN 0.636 nan 8.190 nan 0.000 0.434 99 L N 3.623 124.777 121.223 -0.115 0.000 2.292 99 L HA 0.738 4.394 4.340 -1.141 0.000 0.284 99 L C 0.133 176.957 176.870 -0.077 0.000 1.065 99 L CA 0.166 54.950 54.840 -0.094 0.000 0.806 99 L CB 1.425 43.437 42.059 -0.079 0.000 1.175 99 L HN 0.735 nan 8.230 nan 0.000 0.431 100 S N 0.361 116.018 115.700 -0.072 0.000 2.583 100 S HA 0.179 3.964 4.470 -1.141 0.000 0.294 100 S C 0.225 174.802 174.600 -0.039 0.000 1.121 100 S CA -0.272 57.899 58.200 -0.048 0.000 0.910 100 S CB 1.516 64.682 63.200 -0.057 0.000 1.102 100 S HN 0.700 nan 8.310 nan 0.000 0.451 101 S N 2.152 117.840 115.700 -0.019 0.000 2.575 101 S HA 0.089 3.874 4.470 -1.141 0.000 0.215 101 S C 1.349 175.951 174.600 0.003 0.000 0.966 101 S CA 0.884 59.076 58.200 -0.013 0.000 0.911 101 S CB -0.129 63.067 63.200 -0.008 0.000 0.780 101 S HN 0.989 nan 8.310 nan 0.000 0.514 102 T N -0.769 113.796 114.554 0.018 0.000 2.964 102 T HA 0.431 4.096 4.350 -1.141 0.000 0.249 102 T C 0.331 175.105 174.700 0.123 0.000 1.000 102 T CA -0.355 61.777 62.100 0.054 0.000 0.992 102 T CB -0.365 68.531 68.868 0.046 0.000 1.087 102 T HN 0.290 nan 8.240 nan 0.000 0.489 103 L N 3.305 124.580 121.223 0.087 0.000 2.309 103 L HA 0.589 4.244 4.340 -1.141 0.000 0.282 103 L C 0.617 177.443 176.870 -0.072 0.000 1.036 103 L CA -0.940 53.982 54.840 0.136 0.000 0.806 103 L CB 1.828 43.927 42.059 0.067 0.000 1.220 103 L HN 0.320 nan 8.230 nan 0.000 0.429 104 T N -2.366 112.004 114.554 -0.306 0.000 2.936 104 T HA 0.216 3.881 4.350 -1.141 0.000 0.282 104 T C 1.118 175.668 174.700 -0.249 0.000 1.003 104 T CA -0.497 61.381 62.100 -0.369 0.000 1.005 104 T CB 1.482 69.983 68.868 -0.610 0.000 1.097 104 T HN 0.593 nan 8.240 nan 0.000 0.532 105 T N 0.697 115.135 114.554 -0.194 0.000 2.699 105 T HA -0.198 3.467 4.350 -1.141 0.000 0.268 105 T C 1.921 176.555 174.700 -0.109 0.000 1.036 105 T CA 1.940 63.948 62.100 -0.152 0.000 1.147 105 T CB -0.516 68.287 68.868 -0.107 0.000 0.862 105 T HN 0.712 nan 8.240 nan 0.000 0.446 106 Q N 0.816 120.553 119.800 -0.105 0.000 2.061 106 Q HA -0.147 3.508 4.340 -1.141 0.000 0.204 106 Q C 1.939 177.988 176.000 0.081 0.000 0.984 106 Q CA 1.860 57.650 55.803 -0.022 0.000 0.846 106 Q CB -0.578 28.146 28.738 -0.023 0.000 0.902 106 Q HN 0.803 nan 8.270 nan 0.000 0.421 107 H N -1.160 117.892 119.070 -0.030 0.000 2.319 107 H HA -0.152 3.720 4.556 -1.141 0.000 0.299 107 H C 1.787 177.113 175.328 -0.003 0.000 1.092 107 H CA 0.960 56.999 56.048 -0.015 0.000 1.302 107 H CB 0.091 29.840 29.762 -0.022 0.000 1.373 107 H HN 0.171 nan 8.280 nan 0.000 0.497 108 L N 0.125 121.389 121.223 0.068 0.000 2.042 108 L HA -0.189 3.466 4.340 -1.141 0.000 0.210 108 L C 2.245 179.176 176.870 0.102 0.000 1.076 108 L CA 1.046 55.880 54.840 -0.010 0.000 0.749 108 L CB -0.533 41.310 42.059 -0.361 0.000 0.893 108 L HN 0.220 nan 8.230 nan 0.000 0.432 109 L N -0.615 120.646 121.223 0.063 0.000 2.017 109 L HA -0.211 3.445 4.340 -1.141 0.000 0.208 109 L C 2.100 179.038 176.870 0.114 0.000 1.073 109 L CA 1.669 56.567 54.840 0.097 0.000 0.745 109 L CB -0.992 41.104 42.059 0.061 0.000 0.894 109 L HN 0.301 nan 8.230 nan 0.000 0.432 110 D N -0.751 119.710 120.400 0.102 0.000 2.311 110 D HA -0.135 3.820 4.640 -1.141 0.000 0.212 110 D C 1.975 178.327 176.300 0.086 0.000 0.972 110 D CA 1.248 55.298 54.000 0.083 0.000 0.887 110 D CB -0.234 40.609 40.800 0.072 0.000 0.915 110 D HN 0.465 nan 8.370 nan 0.000 0.497 111 G N -0.041 108.835 108.800 0.128 0.000 2.744 111 G HA2 0.063 3.338 3.960 -1.141 0.000 0.211 111 G HA3 0.063 3.338 3.960 -1.141 0.000 0.211 111 G C 0.874 175.844 174.900 0.116 0.000 1.143 111 G CA -0.144 45.036 45.100 0.135 0.000 0.788 111 G HN 0.182 nan 8.290 nan 0.000 0.534 112 L N 0.502 121.804 121.223 0.131 0.000 2.475 112 L HA 0.198 3.853 4.340 -1.141 0.000 0.253 112 L C -0.537 176.367 176.870 0.056 0.000 1.198 112 L CA -1.695 53.208 54.840 0.105 0.000 0.814 112 L CB 0.584 42.737 42.059 0.158 0.000 1.134 112 L HN -0.064 nan 8.230 nan 0.000 0.478 113 P HA -0.132 nan 4.420 nan 0.000 0.214 113 P C -0.274 177.039 177.300 0.021 0.000 1.163 113 P CA 1.511 64.619 63.100 0.013 0.000 0.883 113 P CB 0.055 31.756 31.700 0.002 0.000 0.788 114 D N -2.591 117.828 120.400 0.032 0.000 2.610 114 D HA 0.096 4.051 4.640 -1.141 0.000 0.271 114 D C 0.678 176.996 176.300 0.030 0.000 1.174 114 D CA -0.629 53.386 54.000 0.025 0.000 0.949 114 D CB 1.159 41.969 40.800 0.016 0.000 1.430 114 D HN -0.242 nan 8.370 nan 0.000 0.467 115 E N 0.274 120.487 120.200 0.020 0.000 2.160 115 E HA -0.202 3.464 4.350 -1.141 0.000 0.195 115 E C 1.510 178.115 176.600 0.008 0.000 0.991 115 E CA 1.092 57.503 56.400 0.017 0.000 0.810 115 E CB 0.025 29.731 29.700 0.011 0.000 0.742 115 E HN 0.677 nan 8.360 nan 0.000 0.466 116 E N 0.959 121.160 120.200 0.002 0.000 2.031 116 E HA -0.242 3.423 4.350 -1.141 0.000 0.193 116 E C 2.026 178.604 176.600 -0.037 0.000 0.994 116 E CA 1.503 57.894 56.400 -0.016 0.000 0.800 116 E CB 0.022 29.715 29.700 -0.012 0.000 0.752 116 E HN -0.083 nan 8.360 nan 0.000 0.447 117 K N 0.716 121.113 120.400 -0.006 0.000 2.103 117 K HA -0.124 3.511 4.320 -1.141 0.000 0.207 117 K C 2.151 178.772 176.600 0.035 0.000 1.048 117 K CA 1.366 57.662 56.287 0.015 0.000 0.930 117 K CB -0.033 32.539 32.500 0.121 0.000 0.716 117 K HN 0.047 nan 8.250 nan 0.000 0.444 118 R N -0.181 120.351 120.500 0.054 0.000 2.235 118 R HA 0.038 3.694 4.340 -1.141 0.000 0.213 118 R C 1.119 177.434 176.300 0.026 0.000 1.059 118 R CA 0.938 57.081 56.100 0.070 0.000 0.997 118 R CB -0.027 30.310 30.300 0.061 0.000 0.884 118 R HN 0.251 nan 8.270 nan 0.000 0.462 119 N N -0.071 118.615 118.700 -0.023 0.000 2.356 119 N HA -0.042 4.013 4.740 -1.141 0.000 0.178 119 N C 1.275 176.738 175.510 -0.079 0.000 1.075 119 N CA 0.402 53.431 53.050 -0.034 0.000 0.889 119 N CB 0.396 38.867 38.487 -0.028 0.000 0.999 119 N HN 0.105 nan 8.380 nan 0.000 0.464 120 L N 0.484 121.592 121.223 -0.192 0.000 2.375 120 L HA 0.086 3.742 4.340 -1.141 0.000 0.215 120 L C 0.697 177.381 176.870 -0.310 0.000 1.108 120 L CA 1.229 55.886 54.840 -0.305 0.000 0.830 120 L CB -0.027 41.738 42.059 -0.490 0.000 0.959 120 L HN 0.132 nan 8.230 nan 0.000 0.457 121 H N -1.326 117.773 119.070 0.047 0.000 2.469 121 H HA 0.435 4.306 4.556 -1.141 0.000 0.286 121 H C 1.667 177.021 175.328 0.044 0.000 1.106 121 H CA 0.397 56.478 56.048 0.056 0.000 1.055 121 H CB 0.062 29.874 29.762 0.084 0.000 1.618 121 H HN 0.292 nan 8.280 nan 0.000 0.559 122 A N 0.922 123.800 122.820 0.095 0.000 1.845 122 A HA -0.150 3.485 4.320 -1.141 0.000 0.215 122 A C 1.605 179.228 177.584 0.064 0.000 1.195 122 A CA 1.561 53.637 52.037 0.065 0.000 0.616 122 A CB -0.106 18.915 19.000 0.034 0.000 0.832 122 A HN 0.172 nan 8.150 nan 0.000 0.443 123 D N -0.186 120.254 120.400 0.067 0.000 2.324 123 D HA 0.115 4.070 4.640 -1.141 0.000 0.235 123 D C 0.773 177.123 176.300 0.082 0.000 1.095 123 D CA 0.540 54.583 54.000 0.072 0.000 0.871 123 D CB 0.215 41.053 40.800 0.064 0.000 0.906 123 D HN 0.302 nan 8.370 nan 0.000 0.522 124 S N -0.324 115.431 115.700 0.092 0.000 2.629 124 S HA 0.287 4.073 4.470 -1.141 0.000 0.236 124 S C 0.598 175.219 174.600 0.036 0.000 1.010 124 S CA -0.284 57.964 58.200 0.080 0.000 0.981 124 S CB 1.152 64.429 63.200 0.128 0.000 0.919 124 S HN 0.134 nan 8.310 nan 0.000 0.514 125 I N 1.374 121.950 120.570 0.009 0.000 2.500 125 I HA 0.488 3.973 4.170 -1.141 0.000 0.286 125 I C -1.125 174.924 176.117 -0.114 0.000 1.063 125 I CA -0.632 60.618 61.300 -0.084 0.000 1.062 125 I CB 2.147 40.090 38.000 -0.095 0.000 1.223 125 I HN -0.116 nan 8.210 nan 0.000 0.435 126 V N 5.660 125.475 119.914 -0.166 0.000 2.789 126 V HA 0.898 4.333 4.120 -1.141 0.000 0.311 126 V C -0.894 175.079 176.094 -0.202 0.000 1.073 126 V CA -0.226 61.987 62.300 -0.145 0.000 0.921 126 V CB 2.041 33.806 31.823 -0.097 0.000 1.009 126 V HN 0.780 nan 8.190 nan 0.000 0.426 127 A N 4.931 127.645 122.820 -0.176 0.000 2.330 127 A HA 0.825 4.460 4.320 -1.141 0.000 0.327 127 A C -0.799 176.707 177.584 -0.130 0.000 1.155 127 A CA -0.347 51.578 52.037 -0.186 0.000 0.803 127 A CB 1.680 20.563 19.000 -0.195 0.000 1.208 127 A HN 1.753 nan 8.150 nan 0.000 0.477 128 V N 3.076 122.916 119.914 -0.122 0.000 2.409 128 V HA 0.461 3.896 4.120 -1.141 0.000 0.291 128 V C -0.259 175.787 176.094 -0.079 0.000 1.020 128 V CA -0.714 61.532 62.300 -0.089 0.000 0.848 128 V CB 1.416 33.185 31.823 -0.089 0.000 0.990 128 V HN 0.916 nan 8.190 nan 0.000 0.430 129 N N 5.606 124.268 118.700 -0.063 0.000 3.245 129 N HA 0.581 4.636 4.740 -1.141 0.000 0.296 129 N C -0.031 175.455 175.510 -0.039 0.000 1.254 129 N CA 0.840 53.859 53.050 -0.051 0.000 1.190 129 N CB 0.130 38.590 38.487 -0.046 0.000 1.460 129 N HN 1.064 nan 8.380 nan 0.000 0.538 130 G N -1.262 107.512 108.800 -0.043 0.000 2.500 130 G HA2 0.509 3.784 3.960 -1.141 0.000 0.299 130 G HA3 0.509 3.784 3.960 -1.141 0.000 0.299 130 G C -0.389 174.486 174.900 -0.041 0.000 1.242 130 G CA -0.286 44.793 45.100 -0.034 0.000 0.859 130 G HN 0.436 nan 8.290 nan 0.000 0.481 131 G N -1.333 107.446 108.800 -0.036 0.000 2.606 131 G HA2 0.529 3.805 3.960 -1.141 0.000 0.262 131 G HA3 0.529 3.805 3.960 -1.141 0.000 0.262 131 G C 1.003 175.863 174.900 -0.066 0.000 1.394 131 G CA 0.208 45.283 45.100 -0.042 0.000 1.044 131 G HN 1.015 nan 8.290 nan 0.000 0.553 132 L N -0.297 120.879 121.223 -0.079 0.000 2.042 132 L HA -0.026 3.629 4.340 -1.141 0.000 0.210 132 L C 2.569 179.368 176.870 -0.117 0.000 1.076 132 L CA 2.655 57.412 54.840 -0.137 0.000 0.749 132 L CB -0.614 41.350 42.059 -0.158 0.000 0.893 132 L HN 0.824 nan 8.230 nan 0.000 0.432 133 E N -1.108 119.060 120.200 -0.054 0.000 2.097 133 E HA -0.313 3.352 4.350 -1.141 0.000 0.196 133 E C 2.043 178.628 176.600 -0.025 0.000 1.000 133 E CA 1.545 57.934 56.400 -0.019 0.000 0.804 133 E CB 0.017 29.724 29.700 0.013 0.000 0.740 133 E HN 0.569 nan 8.360 nan 0.000 0.454 134 Q N -0.161 119.619 119.800 -0.033 0.000 2.172 134 Q HA 0.037 3.693 4.340 -1.141 0.000 0.200 134 Q C 1.838 177.811 176.000 -0.046 0.000 0.964 134 Q CA 1.395 57.180 55.803 -0.029 0.000 0.855 134 Q CB -0.241 28.480 28.738 -0.029 0.000 0.918 134 Q HN 0.376 nan 8.270 nan 0.000 0.444 135 A N 0.198 122.971 122.820 -0.079 0.000 1.930 135 A HA -0.099 3.537 4.320 -1.141 0.000 0.217 135 A C 1.954 179.476 177.584 -0.103 0.000 1.175 135 A CA 1.028 53.001 52.037 -0.107 0.000 0.627 135 A CB -0.597 18.314 19.000 -0.147 0.000 0.815 135 A HN 0.347 nan 8.150 nan 0.000 0.443 136 L N -1.197 119.964 121.223 -0.103 0.000 2.156 136 L HA -0.098 3.557 4.340 -1.141 0.000 0.208 136 L C 2.718 179.577 176.870 -0.017 0.000 1.095 136 L CA 1.395 56.194 54.840 -0.069 0.000 0.770 136 L CB -0.459 41.572 42.059 -0.046 0.000 0.914 136 L HN 0.440 nan 8.230 nan 0.000 0.439 137 R N 0.594 121.088 120.500 -0.010 0.000 2.062 137 R HA -0.153 3.502 4.340 -1.141 0.000 0.231 137 R C 2.405 178.724 176.300 0.031 0.000 1.136 137 R CA 1.255 57.362 56.100 0.011 0.000 0.948 137 R CB -0.229 30.077 30.300 0.010 0.000 0.845 137 R HN 0.278 nan 8.270 nan 0.000 0.430 138 L N 1.275 122.517 121.223 0.032 0.000 2.046 138 L HA -0.157 3.498 4.340 -1.141 0.000 0.208 138 L C 2.008 178.986 176.870 0.181 0.000 1.077 138 L CA 1.649 56.543 54.840 0.090 0.000 0.747 138 L CB -0.520 41.578 42.059 0.065 0.000 0.896 138 L HN 0.388 nan 8.230 nan 0.000 0.432 139 L N 0.130 121.401 121.223 0.080 0.000 2.265 139 L HA -0.141 3.515 4.340 -1.141 0.000 0.215 139 L C 2.632 179.588 176.870 0.144 0.000 1.117 139 L CA 0.852 55.752 54.840 0.100 0.000 0.782 139 L CB -0.712 41.319 42.059 -0.048 0.000 0.914 139 L HN 0.329 nan 8.230 nan 0.000 0.441 140 A N -0.851 122.018 122.820 0.082 0.000 2.209 140 A HA -0.002 3.634 4.320 -1.141 0.000 0.212 140 A C 1.407 179.026 177.584 0.057 0.000 1.158 140 A CA 0.250 52.316 52.037 0.049 0.000 0.742 140 A CB -0.241 18.771 19.000 0.020 0.000 0.790 140 A HN 0.308 nan 8.150 nan 0.000 0.472 141 S N 0.484 116.234 115.700 0.084 0.000 2.576 141 S HA 0.212 3.998 4.470 -1.141 0.000 0.272 141 S C -1.511 173.077 174.600 -0.019 0.000 1.352 141 S CA -0.622 57.591 58.200 0.021 0.000 1.021 141 S CB 0.628 63.818 63.200 -0.016 0.000 0.887 141 S HN 0.171 nan 8.310 nan 0.000 0.542 142 P HA -0.041 nan 4.420 nan 0.000 0.221 142 P C 0.448 177.687 177.300 -0.102 0.000 1.145 142 P CA 0.981 64.055 63.100 -0.044 0.000 0.795 142 P CB 0.060 31.740 31.700 -0.034 0.000 0.775 143 N N -2.115 116.447 118.700 -0.230 0.000 2.216 143 N HA -0.132 3.923 4.740 -1.141 0.000 0.183 143 N C 0.889 176.170 175.510 -0.381 0.000 1.017 143 N CA 1.110 53.913 53.050 -0.412 0.000 0.861 143 N CB -0.323 37.704 38.487 -0.765 0.000 0.986 143 N HN 0.228 nan 8.380 nan 0.000 0.428 144 Y N -1.024 119.272 120.300 -0.005 0.000 2.442 144 Y HA 0.355 4.220 4.550 -1.141 0.000 0.250 144 Y C 0.142 176.038 175.900 -0.008 0.000 1.113 144 Y CA -0.067 58.028 58.100 -0.008 0.000 1.273 144 Y CB 0.154 38.605 38.460 -0.015 0.000 1.138 144 Y HN -0.210 nan 8.280 nan 0.000 0.522 145 T N 4.162 118.780 114.554 0.106 0.000 2.786 145 T HA 0.220 3.886 4.350 -1.141 0.000 0.283 145 T C -2.036 172.683 174.700 0.032 0.000 0.992 145 T CA -1.364 60.772 62.100 0.061 0.000 0.954 145 T CB 2.013 70.907 68.868 0.044 0.000 0.934 145 T HN -0.035 nan 8.240 nan 0.000 0.440 146 P HA 0.073 nan 4.420 nan 0.000 0.255 146 P C 1.552 178.878 177.300 0.043 0.000 1.248 146 P CA 0.140 63.259 63.100 0.031 0.000 0.807 146 P CB 0.376 32.088 31.700 0.019 0.000 1.150 147 S N 0.609 116.339 115.700 0.051 0.000 2.407 147 S HA -0.165 3.621 4.470 -1.141 0.000 0.244 147 S C 1.133 175.774 174.600 0.068 0.000 1.077 147 S CA 1.022 59.259 58.200 0.061 0.000 1.159 147 S CB -0.789 62.458 63.200 0.077 0.000 1.045 147 S HN 0.016 nan 8.310 nan 0.000 0.438 148 I N 2.586 123.209 120.570 0.089 0.000 2.436 148 I HA 0.142 3.628 4.170 -1.141 0.000 0.289 148 I C 1.486 177.618 176.117 0.027 0.000 1.083 148 I CA 0.270 61.603 61.300 0.056 0.000 1.372 148 I CB 0.763 38.790 38.000 0.046 0.000 1.408 148 I HN 0.594 nan 8.210 nan 0.000 0.516 149 E N 4.635 124.843 120.200 0.014 0.000 2.028 149 E HA -0.084 3.581 4.350 -1.141 0.000 0.191 149 E C -0.209 176.373 176.600 -0.031 0.000 0.988 149 E CA 1.097 57.499 56.400 0.002 0.000 0.799 149 E CB 0.432 30.136 29.700 0.006 0.000 0.755 149 E HN 0.627 nan 8.360 nan 0.000 0.447 150 T N 0.889 115.396 114.554 -0.077 0.000 2.928 150 T HA 0.390 4.056 4.350 -1.141 0.000 0.296 150 T C -1.016 173.503 174.700 -0.300 0.000 1.000 150 T CA -0.694 61.277 62.100 -0.215 0.000 0.989 150 T CB 2.111 70.784 68.868 -0.325 0.000 1.005 150 T HN -0.105 nan 8.240 nan 0.000 0.442 151 V N 4.023 123.788 119.914 -0.249 0.000 2.407 151 V HA 0.420 3.855 4.120 -1.141 0.000 0.278 151 V C -1.077 174.903 176.094 -0.190 0.000 1.037 151 V CA -0.616 61.598 62.300 -0.142 0.000 0.900 151 V CB 0.281 32.099 31.823 -0.007 0.000 0.983 151 V HN 0.781 nan 8.190 nan 0.000 0.459 152 Y N 2.802 123.161 120.300 0.098 0.000 2.328 152 Y HA 0.395 4.260 4.550 -1.141 0.000 0.336 152 Y C 0.363 176.340 175.900 0.128 0.000 0.960 152 Y CA -0.728 57.459 58.100 0.144 0.000 1.134 152 Y CB 1.642 40.122 38.460 0.033 0.000 1.166 152 Y HN 0.674 nan 8.280 nan 0.000 0.464 153 C N 7.101 126.614 119.300 0.355 0.000 2.442 153 C HA 0.336 4.111 4.460 -1.141 0.000 0.362 153 C C 1.619 176.774 174.990 0.275 0.000 1.242 153 C CA -0.583 58.544 59.018 0.183 0.000 1.741 153 C CB -2.052 25.802 27.740 0.189 0.000 2.378 153 C HN 0.938 nan 8.230 nan 0.000 0.549 154 I N 4.302 124.987 120.570 0.192 0.000 3.793 154 I HA 0.499 3.985 4.170 -1.141 0.000 0.315 154 I C 0.827 176.985 176.117 0.069 0.000 1.275 154 I CA 0.573 62.023 61.300 0.250 0.000 1.214 154 I CB -0.478 37.721 38.000 0.332 0.000 1.018 154 I HN 0.802 nan 8.210 nan 0.000 0.439 155 G N -0.061 108.617 108.800 -0.204 0.000 2.345 155 G HA2 0.427 3.702 3.960 -1.141 0.000 0.310 155 G HA3 0.427 3.702 3.960 -1.141 0.000 0.310 155 G C -0.525 174.039 174.900 -0.559 0.000 1.476 155 G CA -0.197 44.589 45.100 -0.524 0.000 0.978 155 G HN 0.939 nan 8.290 nan 0.000 0.656 156 G N -1.389 107.078 108.800 -0.556 0.000 3.313 156 G HA2 0.494 3.770 3.960 -1.141 0.000 0.659 156 G HA3 0.494 3.770 3.960 -1.141 0.000 0.659 156 G C 1.103 175.856 174.900 -0.245 0.000 1.286 156 G CA 0.845 45.775 45.100 -0.285 0.000 1.077 156 G HN 2.170 nan 8.290 nan 0.000 0.551 157 G N 1.207 110.011 108.800 0.006 0.000 2.513 157 G HA2 -0.146 3.129 3.960 -1.141 0.000 0.219 157 G HA3 -0.146 3.129 3.960 -1.141 0.000 0.219 157 G C 2.220 177.180 174.900 0.101 0.000 1.160 157 G CA 2.046 47.242 45.100 0.161 0.000 0.767 157 G HN 1.813 nan 8.290 nan 0.000 0.571 158 S N -0.383 115.333 115.700 0.026 0.000 2.374 158 S HA -0.151 3.634 4.470 -1.141 0.000 0.227 158 S C 2.476 177.077 174.600 0.001 0.000 1.037 158 S CA 1.943 60.153 58.200 0.017 0.000 1.024 158 S CB -0.285 62.910 63.200 -0.008 0.000 0.861 158 S HN 0.181 nan 8.310 nan 0.000 0.456 159 V N 0.441 120.306 119.914 -0.083 0.000 2.346 159 V HA -0.048 3.387 4.120 -1.141 0.000 0.244 159 V C 2.150 178.246 176.094 0.004 0.000 1.037 159 V CA 1.556 63.793 62.300 -0.106 0.000 1.029 159 V CB -1.155 30.530 31.823 -0.230 0.000 0.663 159 V HN 0.473 nan 8.190 nan 0.000 0.454 160 Y N 1.333 121.713 120.300 0.133 0.000 2.114 160 Y HA -0.231 3.635 4.550 -1.141 0.000 0.282 160 Y C 2.658 178.670 175.900 0.186 0.000 1.165 160 Y CA 1.101 59.339 58.100 0.230 0.000 1.148 160 Y CB -1.427 37.239 38.460 0.342 0.000 0.972 160 Y HN 0.186 nan 8.280 nan 0.000 0.504 161 A N -0.145 122.851 122.820 0.293 0.000 1.892 161 A HA -0.286 3.350 4.320 -1.141 0.000 0.218 161 A C 2.275 179.939 177.584 0.135 0.000 1.188 161 A CA 2.105 54.249 52.037 0.178 0.000 0.631 161 A CB -0.830 18.251 19.000 0.134 0.000 0.822 161 A HN 0.536 nan 8.150 nan 0.000 0.447 162 E N -0.579 119.690 120.200 0.115 0.000 2.047 162 E HA -0.094 3.571 4.350 -1.141 0.000 0.191 162 E C 2.277 178.958 176.600 0.135 0.000 0.987 162 E CA 0.849 57.303 56.400 0.091 0.000 0.799 162 E CB -0.237 29.492 29.700 0.048 0.000 0.752 162 E HN 0.556 nan 8.360 nan 0.000 0.449 163 A N 0.968 123.903 122.820 0.191 0.000 1.948 163 A HA -0.153 3.482 4.320 -1.141 0.000 0.220 163 A C 1.929 179.682 177.584 0.283 0.000 1.177 163 A CA 1.081 53.311 52.037 0.322 0.000 0.636 163 A CB -0.473 18.789 19.000 0.437 0.000 0.815 163 A HN 0.276 nan 8.150 nan 0.000 0.449 164 L N -0.397 120.939 121.223 0.188 0.000 2.688 164 L HA 0.161 3.816 4.340 -1.141 0.000 0.234 164 L C 0.724 177.629 176.870 0.059 0.000 1.192 164 L CA -0.154 54.735 54.840 0.081 0.000 0.984 164 L CB -0.528 41.507 42.059 -0.040 0.000 1.232 164 L HN 0.553 nan 8.230 nan 0.000 0.465 165 R N -1.675 118.867 120.500 0.069 0.000 2.774 165 R HA 0.634 4.290 4.340 -1.141 0.000 0.272 165 R C -3.078 173.223 176.300 0.002 0.000 1.000 165 R CA -2.002 54.117 56.100 0.033 0.000 0.906 165 R CB 0.689 31.016 30.300 0.044 0.000 1.227 165 R HN -0.304 nan 8.270 nan 0.000 0.468 166 P HA 0.080 nan 4.420 nan 0.000 0.269 166 P C -1.853 175.478 177.300 0.051 0.000 1.215 166 P CA -1.025 62.049 63.100 -0.044 0.000 0.780 166 P CB 0.532 32.258 31.700 0.043 0.000 0.898 167 P HA 0.031 nan 4.420 nan 0.000 0.239 167 P C 0.580 177.963 177.300 0.139 0.000 1.188 167 P CA 0.558 63.748 63.100 0.151 0.000 0.794 167 P CB -0.037 31.759 31.700 0.159 0.000 0.937 168 C N -0.119 119.263 119.300 0.136 0.000 2.422 168 C HA -0.061 3.714 4.460 -1.141 0.000 0.279 168 C C 2.846 177.979 174.990 0.238 0.000 1.305 168 C CA 0.540 59.700 59.018 0.238 0.000 1.757 168 C CB -1.762 26.135 27.740 0.262 0.000 1.962 168 C HN 0.121 nan 8.230 nan 0.000 0.499 169 V N 0.640 120.603 119.914 0.081 0.000 2.594 169 V HA -0.189 3.247 4.120 -1.141 0.000 0.253 169 V C 2.189 178.302 176.094 0.032 0.000 1.069 169 V CA 1.873 64.208 62.300 0.058 0.000 1.082 169 V CB -0.746 31.068 31.823 -0.014 0.000 0.680 169 V HN 0.620 nan 8.190 nan 0.000 0.469 170 H N -0.611 118.552 119.070 0.154 0.000 2.563 170 H HA 0.135 4.007 4.556 -1.141 0.000 0.272 170 H C 0.732 176.126 175.328 0.111 0.000 1.005 170 H CA 0.644 56.760 56.048 0.112 0.000 1.171 170 H CB 0.007 29.831 29.762 0.103 0.000 1.351 170 H HN 0.390 nan 8.280 nan 0.000 0.602 171 L N 0.646 121.967 121.223 0.162 0.000 3.291 171 L HA 0.159 3.814 4.340 -1.141 0.000 0.307 171 L C -0.233 176.448 176.870 -0.315 0.000 1.303 171 L CA -0.046 54.835 54.840 0.068 0.000 0.949 171 L CB 1.032 43.182 42.059 0.153 0.000 1.375 171 L HN -0.069 nan 8.230 nan 0.000 0.596 172 L N 0.476 121.552 121.223 -0.246 0.000 2.426 172 L HA 0.348 4.003 4.340 -1.141 0.000 0.255 172 L C 1.422 178.285 176.870 -0.012 0.000 1.080 172 L CA 0.345 54.937 54.840 -0.413 0.000 0.960 172 L CB 0.380 42.402 42.059 -0.062 0.000 1.326 172 L HN 0.180 nan 8.230 nan 0.000 0.441 173 Q N 2.367 122.120 119.800 -0.079 0.000 2.217 173 Q HA -0.007 3.648 4.340 -1.141 0.000 0.209 173 Q C 0.391 176.463 176.000 0.119 0.000 0.988 173 Q CA 1.282 57.114 55.803 0.049 0.000 0.878 173 Q CB -0.030 28.743 28.738 0.057 0.000 0.909 173 Q HN 0.717 nan 8.270 nan 0.000 0.424 174 A N -0.649 122.263 122.820 0.153 0.000 2.590 174 A HA 0.599 4.234 4.320 -1.141 0.000 0.294 174 A C -1.483 176.170 177.584 0.114 0.000 1.046 174 A CA -0.725 51.400 52.037 0.147 0.000 0.684 174 A CB 0.831 19.821 19.000 -0.017 0.000 1.279 174 A HN 0.100 nan 8.150 nan 0.000 0.415 175 I N 1.471 122.043 120.570 0.003 0.000 2.389 175 I HA 0.375 3.860 4.170 -1.141 0.000 0.288 175 I C -1.437 174.674 176.117 -0.011 0.000 0.999 175 I CA -0.376 60.941 61.300 0.029 0.000 1.129 175 I CB 1.403 39.336 38.000 -0.112 0.000 1.288 175 I HN 0.620 nan 8.210 nan 0.000 0.444 176 Y N 6.170 126.580 120.300 0.183 0.000 2.491 176 Y HA 0.418 4.284 4.550 -1.141 0.000 0.334 176 Y C 0.242 176.238 175.900 0.160 0.000 0.969 176 Y CA -0.576 57.654 58.100 0.216 0.000 1.241 176 Y CB 0.788 39.437 38.460 0.315 0.000 1.105 176 Y HN 0.446 nan 8.280 nan 0.000 0.503 177 R N 2.049 122.691 120.500 0.236 0.000 2.514 177 R HA 0.593 4.249 4.340 -1.141 0.000 0.301 177 R C -1.321 175.059 176.300 0.133 0.000 0.962 177 R CA -0.411 55.759 56.100 0.115 0.000 0.882 177 R CB 1.362 31.714 30.300 0.087 0.000 1.143 177 R HN 0.539 nan 8.270 nan 0.000 0.452 178 T N 3.223 117.813 114.554 0.060 0.000 2.770 178 T HA 0.269 3.934 4.350 -1.141 0.000 0.283 178 T C -0.707 173.846 174.700 -0.245 0.000 0.988 178 T CA -0.311 61.771 62.100 -0.031 0.000 0.957 178 T CB 1.523 70.435 68.868 0.072 0.000 0.930 178 T HN 0.501 nan 8.240 nan 0.000 0.443 179 T N 4.674 118.900 114.554 -0.547 0.000 2.767 179 T HA 0.590 4.255 4.350 -1.141 0.000 0.284 179 T C 0.028 174.386 174.700 -0.570 0.000 0.973 179 T CA -0.440 61.258 62.100 -0.670 0.000 0.996 179 T CB 0.331 68.514 68.868 -1.143 0.000 0.927 179 T HN 0.417 nan 8.240 nan 0.000 0.456 180 I N 2.309 122.587 120.570 -0.488 0.000 2.509 180 I HA 0.435 3.920 4.170 -1.141 0.000 0.293 180 I C 0.553 176.392 176.117 -0.464 0.000 1.020 180 I CA -1.029 60.021 61.300 -0.417 0.000 1.088 180 I CB 2.134 39.845 38.000 -0.482 0.000 1.267 180 I HN 0.373 nan 8.210 nan 0.000 0.430 181 R N 5.214 125.532 120.500 -0.303 0.000 2.609 181 R HA 0.434 4.089 4.340 -1.141 0.000 0.271 181 R C -0.507 175.608 176.300 -0.308 0.000 1.403 181 R CA -0.238 55.699 56.100 -0.271 0.000 1.138 181 R CB 0.158 30.363 30.300 -0.158 0.000 1.142 181 R HN 0.751 nan 8.270 nan 0.000 0.559 182 A N 3.399 125.946 122.820 -0.456 0.000 2.279 182 A HA 0.257 3.893 4.320 -1.141 0.000 0.306 182 A C -0.153 177.310 177.584 -0.201 0.000 1.300 182 A CA -0.420 51.352 52.037 -0.442 0.000 0.925 182 A CB 0.831 19.292 19.000 -0.899 0.000 1.152 182 A HN 0.678 nan 8.150 nan 0.000 0.544 183 S N 2.397 118.038 115.700 -0.098 0.000 2.510 183 S HA 0.211 3.997 4.470 -1.141 0.000 0.279 183 S C 0.822 175.430 174.600 0.014 0.000 1.284 183 S CA -0.005 58.175 58.200 -0.033 0.000 1.059 183 S CB 0.309 63.499 63.200 -0.017 0.000 0.901 183 S HN 0.857 nan 8.310 nan 0.000 0.491 184 E N 0.554 120.777 120.200 0.038 0.000 3.649 184 E HA -0.216 3.449 4.350 -1.141 0.000 0.305 184 E C -0.208 176.437 176.600 0.075 0.000 0.760 184 E CA 1.048 57.483 56.400 0.059 0.000 1.038 184 E CB -1.317 28.410 29.700 0.045 0.000 1.531 184 E HN 0.609 nan 8.360 nan 0.000 0.459 185 S N 1.511 117.262 115.700 0.084 0.000 3.911 185 S HA 0.039 3.825 4.470 -1.141 0.000 0.188 185 S C 0.469 175.149 174.600 0.132 0.000 1.147 185 S CA 0.500 58.783 58.200 0.138 0.000 0.961 185 S CB -0.323 63.022 63.200 0.242 0.000 1.582 185 S HN 0.364 nan 8.310 nan 0.000 0.458 186 S N 0.703 116.461 115.700 0.096 0.000 4.051 186 S HA 0.136 3.922 4.470 -1.141 0.000 0.215 186 S C 0.865 175.495 174.600 0.050 0.000 1.289 186 S CA -0.759 57.485 58.200 0.074 0.000 0.907 186 S CB -1.227 62.006 63.200 0.055 0.000 1.603 186 S HN 0.554 nan 8.310 nan 0.000 0.453 187 C N 1.792 121.110 119.300 0.031 0.000 2.946 187 C HA 0.322 4.098 4.460 -1.141 0.000 0.257 187 C C 2.152 177.108 174.990 -0.057 0.000 1.644 187 C CA -0.377 58.636 59.018 -0.008 0.000 1.918 187 C CB -0.196 27.542 27.740 -0.004 0.000 2.002 187 C HN 0.839 nan 8.230 nan 0.000 0.635 188 S N -1.481 114.176 115.700 -0.072 0.000 3.056 188 S HA 0.104 3.890 4.470 -1.141 0.000 0.255 188 S C 0.022 174.633 174.600 0.018 0.000 1.079 188 S CA -0.027 58.180 58.200 0.013 0.000 0.810 188 S CB -0.013 63.227 63.200 0.068 0.000 0.810 188 S HN 0.495 nan 8.310 nan 0.000 0.477 189 V N 3.975 123.880 119.914 -0.016 0.000 2.508 189 V HA 0.304 3.739 4.120 -1.141 0.000 0.281 189 V C -0.856 175.227 176.094 -0.019 0.000 1.041 189 V CA 0.207 62.557 62.300 0.084 0.000 1.016 189 V CB -0.352 31.533 31.823 0.104 0.000 0.984 189 V HN 0.240 nan 8.190 nan 0.000 0.478 190 F N 4.655 124.683 119.950 0.131 0.000 2.436 190 F HA 0.489 4.331 4.527 -1.141 0.000 0.340 190 F C -0.194 175.706 175.800 0.167 0.000 1.113 190 F CA -0.857 57.226 58.000 0.139 0.000 1.022 190 F CB 1.460 40.514 39.000 0.090 0.000 1.128 190 F HN 0.440 nan 8.300 nan 0.000 0.466 191 F N 5.577 125.618 119.950 0.151 0.000 2.334 191 F HA 0.500 4.342 4.527 -1.141 0.000 0.367 191 F C -0.128 175.702 175.800 0.050 0.000 1.115 191 F CA -0.762 57.263 58.000 0.041 0.000 1.116 191 F CB 0.204 39.143 39.000 -0.103 0.000 1.230 191 F HN 0.495 nan 8.300 nan 0.000 0.484 192 R N 5.148 125.438 120.500 -0.351 0.000 2.439 192 R HA 0.650 4.306 4.340 -1.141 0.000 0.310 192 R C -1.904 174.112 176.300 -0.474 0.000 0.955 192 R CA -0.964 54.956 56.100 -0.300 0.000 0.853 192 R CB 1.289 31.531 30.300 -0.096 0.000 1.171 192 R HN 0.327 nan 8.270 nan 0.000 0.449 193 V N 4.613 124.263 119.914 -0.439 0.000 2.387 193 V HA 0.170 3.605 4.120 -1.141 0.000 0.260 193 V C -1.751 174.236 176.094 -0.178 0.000 1.054 193 V CA -1.645 60.400 62.300 -0.424 0.000 0.967 193 V CB 0.276 31.877 31.823 -0.370 0.000 1.036 193 V HN 0.751 nan 8.190 nan 0.000 0.481 194 P HA -0.045 nan 4.420 nan 0.000 0.263 194 P C 0.128 177.490 177.300 0.104 0.000 1.162 194 P CA 0.536 63.653 63.100 0.029 0.000 0.758 194 P CB 0.491 32.250 31.700 0.098 0.000 0.773 195 E N 0.782 121.025 120.200 0.071 0.000 2.349 195 E HA 0.219 3.885 4.350 -1.141 0.000 0.262 195 E C 0.039 176.690 176.600 0.086 0.000 1.088 195 E CA -0.549 55.898 56.400 0.078 0.000 0.899 195 E CB 0.546 30.272 29.700 0.043 0.000 1.044 195 E HN 0.347 nan 8.360 nan 0.000 0.420 196 S N 0.416 116.160 115.700 0.074 0.000 2.549 196 S HA 0.248 4.033 4.470 -1.141 0.000 0.286 196 S C 1.053 175.672 174.600 0.032 0.000 1.314 196 S CA 0.775 59.003 58.200 0.048 0.000 1.062 196 S CB 0.628 63.847 63.200 0.030 0.000 0.865 196 S HN 0.830 nan 8.310 nan 0.000 0.498 197 G N 2.464 111.278 108.800 0.025 0.000 2.253 197 G HA2 -0.294 2.981 3.960 -1.141 0.000 0.251 197 G HA3 -0.294 2.981 3.960 -1.141 0.000 0.251 197 G C 0.328 175.243 174.900 0.024 0.000 0.998 197 G CA 0.352 45.464 45.100 0.019 0.000 0.621 197 G HN 1.040 nan 8.290 nan 0.000 0.524 198 T N -1.084 113.489 114.554 0.033 0.000 2.868 198 T HA 0.599 4.265 4.350 -1.141 0.000 0.292 198 T C 1.159 175.882 174.700 0.037 0.000 1.028 198 T CA 0.524 62.642 62.100 0.031 0.000 1.059 198 T CB 1.771 70.658 68.868 0.031 0.000 0.991 198 T HN 0.347 nan 8.240 nan 0.000 0.531 199 E N 1.159 121.378 120.200 0.033 0.000 2.038 199 E HA -0.164 3.501 4.350 -1.141 0.000 0.195 199 E C 2.512 179.141 176.600 0.048 0.000 1.000 199 E CA 1.229 57.652 56.400 0.038 0.000 0.803 199 E CB -0.530 29.189 29.700 0.031 0.000 0.750 199 E HN 0.825 nan 8.360 nan 0.000 0.448 200 A N 1.420 124.265 122.820 0.042 0.000 2.032 200 A HA -0.172 3.463 4.320 -1.141 0.000 0.221 200 A C 2.306 179.931 177.584 0.068 0.000 1.165 200 A CA 1.670 53.734 52.037 0.045 0.000 0.645 200 A CB -0.621 18.397 19.000 0.030 0.000 0.807 200 A HN 0.298 nan 8.150 nan 0.000 0.453 201 A N -1.469 121.402 122.820 0.085 0.000 2.239 201 A HA 0.397 4.032 4.320 -1.141 0.000 0.209 201 A C 1.658 179.311 177.584 0.116 0.000 1.171 201 A CA 1.236 53.352 52.037 0.132 0.000 0.768 201 A CB -1.035 18.041 19.000 0.127 0.000 0.790 201 A HN 2.027 nan 8.150 nan 0.000 0.478 202 A N -2.549 120.329 122.820 0.098 0.000 2.774 202 A HA 0.070 3.705 4.320 -1.141 0.000 0.290 202 A C 2.014 179.688 177.584 0.149 0.000 1.484 202 A CA 1.629 53.745 52.037 0.131 0.000 0.863 202 A CB -1.901 17.179 19.000 0.134 0.000 0.989 202 A HN 2.499 nan 8.150 nan 0.000 0.554 203 G N -2.845 106.003 108.800 0.081 0.000 2.175 203 G HA2 -0.217 3.058 3.960 -1.141 0.000 0.244 203 G HA3 -0.217 3.058 3.960 -1.141 0.000 0.244 203 G C 0.154 175.050 174.900 -0.006 0.000 0.982 203 G CA 0.259 45.384 45.100 0.041 0.000 0.641 203 G HN 1.387 nan 8.290 nan 0.000 0.527 204 I N 0.741 121.299 120.570 -0.020 0.000 2.612 204 I HA 0.428 3.913 4.170 -1.141 0.000 0.295 204 I C 0.315 176.292 176.117 -0.232 0.000 1.011 204 I CA -0.361 60.826 61.300 -0.189 0.000 1.326 204 I CB 1.179 39.003 38.000 -0.294 0.000 1.427 204 I HN 0.035 nan 8.210 nan 0.000 0.537 205 E N 4.756 124.749 120.200 -0.344 0.000 2.489 205 E HA 0.177 3.843 4.350 -1.141 0.000 0.232 205 E C -1.630 174.800 176.600 -0.283 0.000 0.990 205 E CA -0.455 55.815 56.400 -0.216 0.000 0.768 205 E CB 0.769 30.392 29.700 -0.128 0.000 1.270 205 E HN 0.393 nan 8.360 nan 0.000 0.423 206 W N 3.575 124.874 121.300 -0.002 0.000 2.469 206 W HA 0.047 4.023 4.660 -1.139 0.000 0.321 206 W C 0.753 177.274 176.519 0.002 0.000 1.415 206 W CA -0.177 57.166 57.345 -0.002 0.000 1.308 206 W CB 0.379 29.838 29.460 -0.001 0.000 1.368 206 W HN 0.365 nan 8.180 nan 0.000 0.546 207 Q N 2.421 122.333 119.800 0.187 0.000 2.433 207 Q HA 0.632 4.287 4.340 -1.141 0.000 0.279 207 Q C -0.500 175.585 176.000 0.141 0.000 1.105 207 Q CA -1.402 54.479 55.803 0.129 0.000 0.815 207 Q CB 1.772 30.543 28.738 0.056 0.000 1.403 207 Q HN 0.383 nan 8.270 nan 0.000 0.435 208 R N 1.099 121.664 120.500 0.108 0.000 2.316 208 R HA 0.025 3.681 4.340 -1.141 0.000 0.314 208 R C 0.542 176.892 176.300 0.083 0.000 1.069 208 R CA 0.002 56.160 56.100 0.098 0.000 0.959 208 R CB 0.769 31.119 30.300 0.083 0.000 0.987 208 R HN 0.868 nan 8.270 nan 0.000 0.446 209 E N 2.046 122.295 120.200 0.082 0.000 2.051 209 E HA -0.079 3.587 4.350 -1.141 0.000 0.189 209 E C -0.023 176.631 176.600 0.090 0.000 0.979 209 E CA 1.060 57.515 56.400 0.092 0.000 0.803 209 E CB 0.476 30.228 29.700 0.087 0.000 0.761 209 E HN 0.656 nan 8.360 nan 0.000 0.451 210 T N -1.448 113.155 114.554 0.083 0.000 2.900 210 T HA 0.609 4.275 4.350 -1.141 0.000 0.303 210 T C -0.637 174.122 174.700 0.098 0.000 1.142 210 T CA -0.925 61.228 62.100 0.088 0.000 1.007 210 T CB 1.888 70.814 68.868 0.096 0.000 1.156 210 T HN 0.168 nan 8.240 nan 0.000 0.490 211 I N 1.675 122.300 120.570 0.091 0.000 2.752 211 I HA 0.607 4.093 4.170 -1.141 0.000 0.295 211 I C -0.485 175.688 176.117 0.092 0.000 1.219 211 I CA -0.613 60.748 61.300 0.101 0.000 1.030 211 I CB 2.253 40.273 38.000 0.033 0.000 1.259 211 I HN 1.078 nan 8.210 nan 0.000 0.423 212 S N 5.250 121.035 115.700 0.143 0.000 2.687 212 S HA 0.541 4.326 4.470 -1.141 0.000 0.283 212 S C -0.301 174.302 174.600 0.005 0.000 1.170 212 S CA -0.810 57.460 58.200 0.118 0.000 1.008 212 S CB 1.521 64.871 63.200 0.249 0.000 1.026 212 S HN 0.595 nan 8.310 nan 0.000 0.541 213 E N 0.871 121.060 120.200 -0.019 0.000 2.410 213 E HA 0.062 3.727 4.350 -1.141 0.000 0.255 213 E C 0.060 176.589 176.600 -0.118 0.000 1.194 213 E CA -0.223 56.131 56.400 -0.076 0.000 0.955 213 E CB 0.323 29.989 29.700 -0.057 0.000 0.988 213 E HN 0.821 nan 8.360 nan 0.000 0.461 214 E N 1.462 121.574 120.200 -0.147 0.000 2.351 214 E HA 0.054 3.719 4.350 -1.141 0.000 0.266 214 E C -0.683 175.772 176.600 -0.242 0.000 1.031 214 E CA -0.026 56.272 56.400 -0.170 0.000 0.911 214 E CB 0.223 29.840 29.700 -0.138 0.000 0.986 214 E HN 0.244 nan 8.360 nan 0.000 0.446 215 L N 3.671 124.620 121.223 -0.457 0.000 2.331 215 L HA 0.378 4.033 4.340 -1.141 0.000 0.275 215 L C 0.101 176.606 176.870 -0.608 0.000 1.022 215 L CA -0.870 53.632 54.840 -0.563 0.000 0.812 215 L CB 1.984 43.577 42.059 -0.776 0.000 1.257 215 L HN 0.473 nan 8.230 nan 0.000 0.435 216 T N 0.678 115.061 114.554 -0.285 0.000 2.771 216 T HA 0.180 3.845 4.350 -1.141 0.000 0.281 216 T C -0.005 174.725 174.700 0.051 0.000 0.982 216 T CA -0.318 61.711 62.100 -0.119 0.000 0.978 216 T CB 1.454 70.286 68.868 -0.060 0.000 0.930 216 T HN 0.549 nan 8.240 nan 0.000 0.447 217 S N 2.070 117.887 115.700 0.196 0.000 2.523 217 S HA 0.415 4.200 4.470 -1.141 0.000 0.275 217 S C 1.108 175.776 174.600 0.113 0.000 1.281 217 S CA -0.797 57.556 58.200 0.255 0.000 1.050 217 S CB 0.255 63.596 63.200 0.235 0.000 0.937 217 S HN 0.808 nan 8.310 nan 0.000 0.492 218 A N 4.853 127.729 122.820 0.094 0.000 2.324 218 A HA 0.148 3.783 4.320 -1.141 0.000 0.240 218 A C 1.056 178.665 177.584 0.042 0.000 1.347 218 A CA 0.004 52.075 52.037 0.056 0.000 1.036 218 A CB -1.312 17.719 19.000 0.051 0.000 0.917 218 A HN 0.999 nan 8.150 nan 0.000 0.519 219 N N -0.877 117.849 118.700 0.044 0.000 2.031 219 N HA 0.268 4.324 4.740 -1.141 0.000 0.226 219 N C 1.454 176.978 175.510 0.024 0.000 1.175 219 N CA 0.345 53.413 53.050 0.029 0.000 0.987 219 N CB -0.231 38.273 38.487 0.028 0.000 1.230 219 N HN 0.029 nan 8.380 nan 0.000 0.452 220 G N -0.702 108.112 108.800 0.023 0.000 2.808 220 G HA2 -0.008 3.267 3.960 -1.141 0.000 0.210 220 G HA3 -0.008 3.267 3.960 -1.141 0.000 0.210 220 G C 0.877 175.788 174.900 0.018 0.000 1.177 220 G CA -0.009 45.102 45.100 0.019 0.000 0.853 220 G HN 0.399 nan 8.290 nan 0.000 0.625 221 N N 0.925 119.636 118.700 0.020 0.000 2.467 221 N HA 0.145 4.200 4.740 -1.141 0.000 0.184 221 N C 0.165 175.683 175.510 0.014 0.000 1.106 221 N CA 0.506 53.565 53.050 0.015 0.000 0.892 221 N CB 0.199 38.695 38.487 0.015 0.000 0.969 221 N HN 0.514 nan 8.380 nan 0.000 0.454 222 E N -1.504 118.710 120.200 0.023 0.000 2.759 222 E HA -0.160 3.505 4.350 -1.141 0.000 0.280 222 E C -0.911 175.704 176.600 0.025 0.000 1.009 222 E CA 0.286 56.701 56.400 0.025 0.000 0.849 222 E CB -2.320 27.386 29.700 0.009 0.000 1.415 222 E HN 0.214 nan 8.360 nan 0.000 0.412 223 T N 2.154 116.729 114.554 0.034 0.000 2.849 223 T HA -0.025 3.641 4.350 -1.141 0.000 0.289 223 T C 0.425 175.159 174.700 0.057 0.000 1.010 223 T CA 0.289 62.404 62.100 0.025 0.000 1.161 223 T CB 0.420 69.301 68.868 0.021 0.000 0.989 223 T HN -0.006 nan 8.240 nan 0.000 0.523 224 K N 3.515 123.905 120.400 -0.017 0.000 2.205 224 K HA 0.418 4.053 4.320 -1.141 0.000 0.279 224 K C -0.224 176.327 176.600 -0.081 0.000 1.027 224 K CA -0.398 55.836 56.287 -0.089 0.000 0.932 224 K CB 0.873 33.309 32.500 -0.106 0.000 1.032 224 K HN 0.770 nan 8.250 nan 0.000 0.466 225 Y N -0.210 119.988 120.300 -0.170 0.000 2.670 225 Y HA 0.676 4.541 4.550 -1.141 0.000 0.334 225 Y C -1.043 174.704 175.900 -0.256 0.000 1.185 225 Y CA -1.636 56.288 58.100 -0.292 0.000 1.053 225 Y CB 1.070 39.304 38.460 -0.377 0.000 1.298 225 Y HN 0.608 nan 8.280 nan 0.000 0.459 226 Y N -0.972 119.137 120.300 -0.317 0.000 2.705 226 Y HA 0.827 4.692 4.550 -1.141 0.000 0.332 226 Y C -2.265 173.414 175.900 -0.368 0.000 1.221 226 Y CA -2.825 55.040 58.100 -0.391 0.000 1.059 226 Y CB 1.268 39.590 38.460 -0.230 0.000 1.298 226 Y HN 0.626 nan 8.280 nan 0.000 0.459 227 F N 0.583 120.704 119.950 0.285 0.000 2.561 227 F HA 0.673 4.516 4.527 -1.141 0.000 0.321 227 F C -0.512 175.399 175.800 0.186 0.000 1.065 227 F CA -0.833 57.234 58.000 0.112 0.000 0.934 227 F CB 2.365 41.333 39.000 -0.054 0.000 1.215 227 F HN 0.473 nan 8.300 nan 0.000 0.471 228 E N 1.511 121.926 120.200 0.359 0.000 2.321 228 E HA 0.233 3.898 4.350 -1.141 0.000 0.278 228 E C -1.407 175.283 176.600 0.151 0.000 0.902 228 E CA -1.125 55.418 56.400 0.239 0.000 0.758 228 E CB 3.068 32.914 29.700 0.243 0.000 1.213 228 E HN 0.344 nan 8.360 nan 0.000 0.426 229 K N 4.470 124.915 120.400 0.074 0.000 2.527 229 K HA 0.339 3.975 4.320 -1.141 0.000 0.240 229 K C -1.135 175.450 176.600 -0.024 0.000 0.989 229 K CA -0.355 55.884 56.287 -0.080 0.000 0.985 229 K CB 0.459 32.888 32.500 -0.119 0.000 1.221 229 K HN 0.495 nan 8.250 nan 0.000 0.458 230 L N 6.275 127.503 121.223 0.008 0.000 2.334 230 L HA 0.560 4.215 4.340 -1.141 0.000 0.277 230 L C 0.307 177.336 176.870 0.264 0.000 1.075 230 L CA -0.935 53.994 54.840 0.149 0.000 0.804 230 L CB 0.770 42.922 42.059 0.154 0.000 1.174 230 L HN 0.561 nan 8.230 nan 0.000 0.438 231 I N 0.277 121.051 120.570 0.340 0.000 2.969 231 I HA 0.574 4.059 4.170 -1.141 0.000 0.307 231 I C -2.736 173.388 176.117 0.013 0.000 1.149 231 I CA -2.476 58.987 61.300 0.271 0.000 1.008 231 I CB 2.689 40.735 38.000 0.078 0.000 1.232 231 I HN 0.283 nan 8.210 nan 0.000 0.435 232 P HA 0.142 nan 4.420 nan 0.000 0.279 232 P C -0.574 176.494 177.300 -0.386 0.000 1.318 232 P CA -0.171 62.463 63.100 -0.777 0.000 0.819 232 P CB 0.738 31.923 31.700 -0.858 0.000 0.927 233 R N 4.020 124.338 120.500 -0.303 0.000 2.481 233 R HA -0.112 3.544 4.340 -1.141 0.000 0.291 233 R C 0.221 176.401 176.300 -0.200 0.000 0.934 233 R CA 0.420 56.407 56.100 -0.188 0.000 1.116 233 R CB -0.177 30.039 30.300 -0.141 0.000 0.895 233 R HN 0.348 nan 8.270 nan 0.000 0.410 234 N N 3.958 122.548 118.700 -0.183 0.000 2.816 234 N HA 0.102 4.158 4.740 -1.141 0.000 0.236 234 N C 0.334 175.758 175.510 -0.144 0.000 1.076 234 N CA -0.476 52.441 53.050 -0.222 0.000 0.902 234 N CB 0.605 38.870 38.487 -0.370 0.000 1.149 234 N HN 0.497 nan 8.380 nan 0.000 0.506 235 R N 1.743 122.177 120.500 -0.110 0.000 2.096 235 R HA -0.144 3.512 4.340 -1.141 0.000 0.240 235 R C 0.977 177.244 176.300 -0.055 0.000 1.139 235 R CA 1.418 57.473 56.100 -0.074 0.000 0.952 235 R CB -0.338 29.917 30.300 -0.076 0.000 0.854 235 R HN 0.665 nan 8.270 nan 0.000 0.436 236 E N 0.513 120.679 120.200 -0.057 0.000 2.108 236 E HA -0.270 3.396 4.350 -1.141 0.000 0.203 236 E C 1.950 178.637 176.600 0.145 0.000 1.022 236 E CA 1.697 58.081 56.400 -0.027 0.000 0.823 236 E CB -0.169 29.603 29.700 0.119 0.000 0.744 236 E HN 0.494 nan 8.360 nan 0.000 0.456 237 E N 0.603 120.908 120.200 0.175 0.000 2.216 237 E HA -0.157 3.508 4.350 -1.141 0.000 0.192 237 E C 1.620 178.348 176.600 0.215 0.000 0.988 237 E CA 0.535 57.104 56.400 0.281 0.000 0.834 237 E CB 0.173 29.957 29.700 0.140 0.000 0.772 237 E HN 0.272 nan 8.360 nan 0.000 0.479 238 E N 0.295 120.554 120.200 0.097 0.000 2.268 238 E HA -0.179 3.486 4.350 -1.141 0.000 0.195 238 E C 2.024 178.677 176.600 0.088 0.000 0.995 238 E CA 0.510 56.955 56.400 0.076 0.000 0.836 238 E CB 0.060 29.767 29.700 0.012 0.000 0.763 238 E HN 0.376 nan 8.360 nan 0.000 0.491 239 Q N 0.128 119.978 119.800 0.084 0.000 1.985 239 Q HA -0.256 3.400 4.340 -1.141 0.000 0.207 239 Q C 2.102 178.178 176.000 0.127 0.000 0.996 239 Q CA 2.082 57.917 55.803 0.054 0.000 0.851 239 Q CB -0.450 28.281 28.738 -0.012 0.000 0.921 239 Q HN 0.407 nan 8.270 nan 0.000 0.418 240 Y N 1.143 121.497 120.300 0.090 0.000 2.181 240 Y HA -0.198 3.667 4.550 -1.141 0.000 0.288 240 Y C 1.811 177.743 175.900 0.054 0.000 1.146 240 Y CA 1.291 59.450 58.100 0.097 0.000 1.164 240 Y CB -0.233 38.337 38.460 0.182 0.000 0.982 240 Y HN 0.028 nan 8.280 nan 0.000 0.515 241 L N -0.731 120.611 121.223 0.199 0.000 2.083 241 L HA -0.216 3.440 4.340 -1.141 0.000 0.209 241 L C 2.512 179.348 176.870 -0.056 0.000 1.083 241 L CA 1.450 56.311 54.840 0.036 0.000 0.752 241 L CB -0.669 41.457 42.059 0.111 0.000 0.899 241 L HN 0.205 nan 8.230 nan 0.000 0.433 242 S N 0.149 115.834 115.700 -0.025 0.000 2.345 242 S HA -0.173 3.612 4.470 -1.141 0.000 0.220 242 S C 1.843 176.397 174.600 -0.077 0.000 1.031 242 S CA 1.146 59.320 58.200 -0.043 0.000 0.996 242 S CB -0.362 62.821 63.200 -0.029 0.000 0.882 242 S HN 0.239 nan 8.310 nan 0.000 0.445 243 L N 1.998 123.166 121.223 -0.092 0.000 2.042 243 L HA -0.067 3.588 4.340 -1.141 0.000 0.210 243 L C 2.236 179.010 176.870 -0.159 0.000 1.076 243 L CA 1.517 56.288 54.840 -0.114 0.000 0.749 243 L CB -0.715 41.277 42.059 -0.111 0.000 0.893 243 L HN 0.114 nan 8.230 nan 0.000 0.432 244 V N -0.034 119.723 119.914 -0.263 0.000 2.255 244 V HA -0.361 3.074 4.120 -1.141 0.000 0.247 244 V C 2.373 178.380 176.094 -0.144 0.000 1.051 244 V CA 2.198 64.337 62.300 -0.267 0.000 1.018 244 V CB -0.681 30.896 31.823 -0.410 0.000 0.641 244 V HN 0.637 nan 8.190 nan 0.000 0.445 245 D N -0.333 119.995 120.400 -0.119 0.000 2.104 245 D HA -0.242 3.714 4.640 -1.141 0.000 0.194 245 D C 2.365 178.632 176.300 -0.056 0.000 0.994 245 D CA 1.600 55.559 54.000 -0.070 0.000 0.830 245 D CB -0.238 40.529 40.800 -0.055 0.000 0.959 245 D HN 0.240 nan 8.370 nan 0.000 0.452 246 R N -0.355 120.109 120.500 -0.060 0.000 2.152 246 R HA -0.059 3.597 4.340 -1.141 0.000 0.232 246 R C 2.306 178.582 176.300 -0.040 0.000 1.117 246 R CA 0.880 56.953 56.100 -0.045 0.000 0.981 246 R CB -0.183 30.090 30.300 -0.046 0.000 0.870 246 R HN 0.332 nan 8.270 nan 0.000 0.451 247 I N 0.083 120.621 120.570 -0.053 0.000 2.286 247 I HA -0.254 3.231 4.170 -1.141 0.000 0.245 247 I C 2.082 178.183 176.117 -0.028 0.000 1.104 247 I CA 1.045 62.321 61.300 -0.041 0.000 1.397 247 I CB -0.086 37.880 38.000 -0.057 0.000 1.072 247 I HN 0.165 nan 8.210 nan 0.000 0.417 248 I N 0.469 121.020 120.570 -0.031 0.000 2.142 248 I HA -0.270 3.216 4.170 -1.141 0.000 0.240 248 I C 2.613 178.724 176.117 -0.010 0.000 1.078 248 I CA 1.506 62.797 61.300 -0.015 0.000 1.343 248 I CB -0.368 37.623 38.000 -0.014 0.000 1.046 248 I HN 0.133 nan 8.210 nan 0.000 0.405 249 R N 0.300 120.791 120.500 -0.015 0.000 2.148 249 R HA -0.075 3.581 4.340 -1.141 0.000 0.223 249 R C 1.471 177.766 176.300 -0.008 0.000 1.088 249 R CA 1.065 57.159 56.100 -0.011 0.000 0.985 249 R CB 0.007 30.299 30.300 -0.014 0.000 0.880 249 R HN 0.449 nan 8.270 nan 0.000 0.451 250 E N -0.895 119.298 120.200 -0.011 0.000 2.571 250 E HA 0.120 3.786 4.350 -1.141 0.000 0.222 250 E C 0.527 177.125 176.600 -0.003 0.000 0.904 250 E CA -0.215 56.181 56.400 -0.007 0.000 1.157 250 E CB 1.004 30.699 29.700 -0.009 0.000 1.158 250 E HN 0.234 nan 8.360 nan 0.000 0.540 251 G N 1.360 110.157 108.800 -0.006 0.000 2.771 251 G HA2 -0.036 3.239 3.960 -1.141 0.000 0.242 251 G HA3 -0.036 3.239 3.960 -1.141 0.000 0.242 251 G C 0.027 174.927 174.900 0.001 0.000 1.233 251 G CA -0.325 44.774 45.100 -0.001 0.000 0.858 251 G HN 0.023 nan 8.290 nan 0.000 0.591 252 N N -0.702 118.000 118.700 0.002 0.000 2.455 252 N HA 0.253 4.309 4.740 -1.141 0.000 0.280 252 N C -0.154 175.353 175.510 -0.005 0.000 1.055 252 N CA -0.367 52.683 53.050 0.000 0.000 0.961 252 N CB 2.035 40.520 38.487 -0.003 0.000 1.121 252 N HN 0.137 nan 8.380 nan 0.000 0.476 253 V N 2.865 122.785 119.914 0.010 0.000 2.583 253 V HA 0.269 3.704 4.120 -1.141 0.000 0.287 253 V C 0.271 176.387 176.094 0.038 0.000 1.051 253 V CA -0.026 62.288 62.300 0.024 0.000 1.010 253 V CB 0.642 32.508 31.823 0.071 0.000 0.988 253 V HN 0.554 nan 8.190 nan 0.000 0.478 254 K N 3.176 123.579 120.400 0.005 0.000 2.523 254 K HA 0.609 4.244 4.320 -1.141 0.000 0.257 254 K C -1.700 174.867 176.600 -0.055 0.000 0.932 254 K CA -0.967 55.330 56.287 0.017 0.000 0.812 254 K CB 2.236 34.702 32.500 -0.057 0.000 1.326 254 K HN 0.704 nan 8.250 nan 0.000 0.433 255 H N 1.081 120.132 119.070 -0.032 0.000 2.800 255 H HA 0.136 4.007 4.556 -1.141 0.000 0.322 255 H C -0.856 174.463 175.328 -0.015 0.000 0.979 255 H CA -0.820 55.217 56.048 -0.018 0.000 1.277 255 H CB 1.022 30.779 29.762 -0.007 0.000 1.484 255 H HN 0.659 nan 8.280 nan 0.000 0.512 256 D N 1.292 121.716 120.400 0.040 0.000 2.447 256 D HA 0.019 3.974 4.640 -1.141 0.000 0.265 256 D C 1.669 178.001 176.300 0.053 0.000 1.250 256 D CA -0.792 53.228 54.000 0.033 0.000 1.046 256 D CB 1.069 41.873 40.800 0.008 0.000 1.095 256 D HN 0.375 nan 8.370 nan 0.000 0.555 257 R N -0.310 120.214 120.500 0.040 0.000 2.096 257 R HA -0.165 3.491 4.340 -1.141 0.000 0.240 257 R C 1.581 177.908 176.300 0.045 0.000 1.139 257 R CA 1.975 58.098 56.100 0.039 0.000 0.952 257 R CB -2.451 27.867 30.300 0.031 0.000 0.854 257 R HN 0.541 nan 8.270 nan 0.000 0.436 258 T N 0.111 114.694 114.554 0.048 0.000 2.897 258 T HA 0.029 3.695 4.350 -1.141 0.000 0.271 258 T C 1.306 176.040 174.700 0.058 0.000 1.084 258 T CA 2.190 64.320 62.100 0.049 0.000 1.123 258 T CB -0.550 68.348 68.868 0.051 0.000 0.865 258 T HN 0.744 nan 8.240 nan 0.000 0.496 259 G N 0.420 109.265 108.800 0.076 0.000 2.141 259 G HA2 -0.222 3.054 3.960 -1.141 0.000 0.231 259 G HA3 -0.222 3.054 3.960 -1.141 0.000 0.231 259 G C 0.163 175.143 174.900 0.134 0.000 0.984 259 G CA -0.101 45.072 45.100 0.123 0.000 0.660 259 G HN 0.537 nan 8.290 nan 0.000 0.525 260 V N 1.398 121.346 119.914 0.056 0.000 2.439 260 V HA 0.571 4.006 4.120 -1.141 0.000 0.271 260 V C 1.262 177.255 176.094 -0.170 0.000 1.040 260 V CA 0.470 62.778 62.300 0.013 0.000 1.002 260 V CB 1.083 32.955 31.823 0.081 0.000 1.000 260 V HN 0.709 nan 8.190 nan 0.000 0.477 261 G N 3.645 112.213 108.800 -0.387 0.000 2.389 261 G HA2 0.728 4.004 3.960 -1.141 0.000 0.317 261 G HA3 0.728 4.004 3.960 -1.141 0.000 0.317 261 G C -0.259 174.398 174.900 -0.406 0.000 1.137 261 G CA -0.093 44.467 45.100 -0.900 0.000 0.870 261 G HN 0.855 nan 8.290 nan 0.000 0.496 262 T N -1.270 113.057 114.554 -0.379 0.000 2.889 262 T HA 0.578 4.244 4.350 -1.141 0.000 0.315 262 T C -1.075 173.525 174.700 -0.168 0.000 1.291 262 T CA -0.821 61.103 62.100 -0.293 0.000 1.028 262 T CB 1.478 70.058 68.868 -0.480 0.000 1.235 262 T HN 0.276 nan 8.240 nan 0.000 0.491 263 L N 2.234 123.398 121.223 -0.099 0.000 2.344 263 L HA 0.918 4.573 4.340 -1.141 0.000 0.272 263 L C 0.465 177.323 176.870 -0.019 0.000 1.035 263 L CA 0.030 54.844 54.840 -0.043 0.000 0.807 263 L CB 1.696 43.743 42.059 -0.020 0.000 1.237 263 L HN 1.223 nan 8.230 nan 0.000 0.442 264 S N 0.778 116.477 115.700 -0.002 0.000 2.595 264 S HA 0.831 4.616 4.470 -1.141 0.000 0.270 264 S C -0.960 173.662 174.600 0.037 0.000 1.145 264 S CA -0.888 57.331 58.200 0.030 0.000 0.825 264 S CB 1.044 64.284 63.200 0.066 0.000 1.107 264 S HN 0.519 nan 8.310 nan 0.000 0.461 265 I N -1.652 118.952 120.570 0.056 0.000 3.436 265 I HA 0.986 4.471 4.170 -1.141 0.000 0.300 265 I C -1.120 175.102 176.117 0.174 0.000 1.131 265 I CA -1.356 59.991 61.300 0.078 0.000 1.001 265 I CB 1.042 39.060 38.000 0.030 0.000 1.305 265 I HN 0.736 nan 8.210 nan 0.000 0.494 266 F N 1.177 121.111 119.950 -0.026 0.000 2.557 266 F HA 0.739 5.266 4.527 -0.000 0.000 0.316 266 F C 0.074 175.854 175.800 -0.032 0.000 1.141 266 F CA -0.186 57.799 58.000 -0.025 0.000 0.922 266 F CB 1.452 40.444 39.000 -0.014 0.000 1.194 266 F HN 1.090 nan 8.300 nan 0.000 0.443 267 G N 4.057 112.496 108.800 -0.602 0.000 3.405 267 G HA2 0.509 3.785 3.960 -1.141 0.000 0.676 267 G HA3 0.509 3.785 3.960 -1.141 0.000 0.676 267 G C -1.202 173.536 174.900 -0.270 0.000 1.039 267 G CA -0.218 44.562 45.100 -0.533 0.000 0.855 267 G HN 1.765 nan 8.290 nan 0.000 0.443 268 A N 2.284 124.954 122.820 -0.249 0.000 2.602 268 A HA 0.999 4.635 4.320 -1.141 0.000 0.290 268 A C -0.431 177.048 177.584 -0.175 0.000 1.114 268 A CA 0.077 52.007 52.037 -0.179 0.000 0.683 268 A CB 2.066 20.970 19.000 -0.159 0.000 1.281 268 A HN 1.596 nan 8.150 nan 0.000 0.416 269 Q N 0.431 120.151 119.800 -0.133 0.000 2.364 269 Q HA 0.571 4.226 4.340 -1.141 0.000 0.251 269 Q C -1.763 174.186 176.000 -0.085 0.000 0.927 269 Q CA -0.182 55.558 55.803 -0.104 0.000 0.924 269 Q CB 1.548 30.231 28.738 -0.092 0.000 1.419 269 Q HN 0.835 nan 8.270 nan 0.000 0.427 270 M N 1.743 121.315 119.600 -0.046 0.000 2.762 270 M HA 0.655 4.450 4.480 -1.141 0.000 0.306 270 M C -0.607 175.574 176.300 -0.199 0.000 1.223 270 M CA -0.745 54.479 55.300 -0.126 0.000 0.896 270 M CB 2.299 34.882 32.600 -0.028 0.000 1.684 270 M HN 0.379 nan 8.290 nan 0.000 0.491 271 R N 0.489 120.675 120.500 -0.523 0.000 2.628 271 R HA 0.703 4.359 4.340 -1.141 0.000 0.288 271 R C -1.957 173.866 176.300 -0.795 0.000 0.980 271 R CA -0.459 55.395 56.100 -0.409 0.000 0.891 271 R CB 2.051 32.221 30.300 -0.215 0.000 1.188 271 R HN 0.481 nan 8.270 nan 0.000 0.450 272 F N -0.108 119.871 119.950 0.047 0.000 2.569 272 F HA 0.300 4.141 4.527 -1.144 0.000 0.312 272 F C 0.305 176.126 175.800 0.035 0.000 1.109 272 F CA -0.761 57.269 58.000 0.050 0.000 0.919 272 F CB 2.335 41.342 39.000 0.011 0.000 1.211 272 F HN 0.261 nan 8.300 nan 0.000 0.446 273 S N 3.179 118.995 115.700 0.193 0.000 2.489 273 S HA 0.515 4.300 4.470 -1.141 0.000 0.277 273 S C 0.262 174.926 174.600 0.107 0.000 1.230 273 S CA -0.485 57.788 58.200 0.122 0.000 1.053 273 S CB 0.355 63.607 63.200 0.087 0.000 0.955 273 S HN 0.705 nan 8.310 nan 0.000 0.488 274 L N 4.543 125.819 121.223 0.089 0.000 2.808 274 L HA 0.324 3.980 4.340 -1.141 0.000 0.246 274 L C 0.874 177.787 176.870 0.071 0.000 1.153 274 L CA -0.240 54.639 54.840 0.064 0.000 0.956 274 L CB -0.039 42.064 42.059 0.074 0.000 1.270 274 L HN 0.493 nan 8.230 nan 0.000 0.528 275 R N 1.675 122.219 120.500 0.074 0.000 2.590 275 R HA 0.070 3.725 4.340 -1.141 0.000 0.274 275 R C 0.033 176.388 176.300 0.092 0.000 1.061 275 R CA -0.165 55.978 56.100 0.073 0.000 1.081 275 R CB 0.087 30.421 30.300 0.056 0.000 0.984 275 R HN 0.192 nan 8.270 nan 0.000 0.448 276 N N 2.600 121.358 118.700 0.096 0.000 2.708 276 N HA -0.204 3.851 4.740 -1.141 0.000 0.255 276 N C -0.849 174.770 175.510 0.182 0.000 1.046 276 N CA 1.127 54.251 53.050 0.124 0.000 0.715 276 N CB -1.202 37.363 38.487 0.130 0.000 0.895 276 N HN 0.827 nan 8.380 nan 0.000 0.545 277 N N -1.944 116.845 118.700 0.148 0.000 2.713 277 N HA -0.262 3.794 4.740 -1.141 0.000 0.251 277 N C -0.449 175.160 175.510 0.164 0.000 1.117 277 N CA 1.295 54.442 53.050 0.161 0.000 0.770 277 N CB -0.559 38.037 38.487 0.181 0.000 1.137 277 N HN 0.554 nan 8.380 nan 0.000 0.566 278 R N 0.346 120.905 120.500 0.099 0.000 2.491 278 R HA 0.325 3.981 4.340 -1.141 0.000 0.283 278 R C -0.265 175.928 176.300 -0.179 0.000 1.072 278 R CA -0.393 55.653 56.100 -0.090 0.000 1.048 278 R CB 0.676 30.961 30.300 -0.026 0.000 0.983 278 R HN 0.092 nan 8.270 nan 0.000 0.450 279 L N 5.707 126.720 121.223 -0.349 0.000 2.343 279 L HA 0.339 3.994 4.340 -1.141 0.000 0.278 279 L C -2.174 174.277 176.870 -0.699 0.000 0.996 279 L CA -2.223 52.349 54.840 -0.447 0.000 0.831 279 L CB 1.839 43.566 42.059 -0.553 0.000 1.232 279 L HN 0.421 nan 8.230 nan 0.000 0.413 280 P HA 0.028 nan 4.420 nan 0.000 0.232 280 P C -0.352 176.203 177.300 -1.241 0.000 1.738 280 P CA 0.137 62.376 63.100 -1.436 0.000 0.948 280 P CB -0.251 30.916 31.700 -0.888 0.000 1.943 281 L N 1.951 122.556 121.223 -1.030 0.000 2.315 281 L HA 0.192 3.848 4.340 -1.141 0.000 0.283 281 L C 1.093 177.817 176.870 -0.244 0.000 1.089 281 L CA -0.724 53.731 54.840 -0.641 0.000 0.833 281 L CB 0.538 42.039 42.059 -0.930 0.000 1.170 281 L HN 0.048 nan 8.230 nan 0.000 0.442 282 L N 3.553 124.727 121.223 -0.081 0.000 2.559 282 L HA -0.049 3.606 4.340 -1.141 0.000 0.282 282 L C 1.540 178.631 176.870 0.368 0.000 1.232 282 L CA 0.296 55.249 54.840 0.189 0.000 0.885 282 L CB 0.653 42.675 42.059 -0.061 0.000 1.131 282 L HN 0.723 nan 8.230 nan 0.000 0.498 283 T N -4.069 110.722 114.554 0.394 0.000 3.037 283 T HA -0.056 3.610 4.350 -1.141 0.000 0.251 283 T C 1.429 176.337 174.700 0.347 0.000 1.079 283 T CA 0.477 62.794 62.100 0.362 0.000 1.067 283 T CB -0.102 68.947 68.868 0.302 0.000 0.948 283 T HN 0.739 nan 8.240 nan 0.000 0.496 284 T N -1.067 113.639 114.554 0.253 0.000 3.148 284 T HA 0.267 3.932 4.350 -1.141 0.000 0.253 284 T C 0.519 175.301 174.700 0.136 0.000 1.134 284 T CA -0.051 62.140 62.100 0.151 0.000 1.051 284 T CB -0.048 68.842 68.868 0.037 0.000 0.959 284 T HN 0.168 nan 8.240 nan 0.000 0.525 285 K N 1.506 122.001 120.400 0.159 0.000 2.606 285 K HA 0.234 3.870 4.320 -1.141 0.000 0.259 285 K C -1.051 175.640 176.600 0.152 0.000 1.001 285 K CA -0.395 55.970 56.287 0.129 0.000 0.881 285 K CB 2.205 34.774 32.500 0.116 0.000 1.288 285 K HN 0.296 nan 8.250 nan 0.000 0.452 286 R N 2.616 123.191 120.500 0.126 0.000 2.537 286 R HA 0.081 3.736 4.340 -1.141 0.000 0.281 286 R C -0.603 175.840 176.300 0.239 0.000 0.988 286 R CA 0.161 56.359 56.100 0.164 0.000 1.077 286 R CB 0.382 30.728 30.300 0.076 0.000 0.932 286 R HN 0.198 nan 8.270 nan 0.000 0.409 287 V N 6.712 126.834 119.914 0.347 0.000 2.472 287 V HA 0.157 3.592 4.120 -1.141 0.000 0.290 287 V C 0.075 176.384 176.094 0.358 0.000 1.037 287 V CA -0.539 61.929 62.300 0.279 0.000 0.908 287 V CB 1.383 33.292 31.823 0.143 0.000 0.985 287 V HN 0.721 nan 8.190 nan 0.000 0.454 288 F N 5.227 125.278 119.950 0.169 0.000 2.651 288 F HA 0.081 3.923 4.527 -1.142 0.000 0.347 288 F C 1.106 176.934 175.800 0.045 0.000 1.284 288 F CA -0.268 57.823 58.000 0.152 0.000 1.175 288 F CB -0.072 39.047 39.000 0.199 0.000 1.542 288 F HN 0.854 nan 8.300 nan 0.000 0.661 289 W N 5.740 126.955 121.300 -0.142 0.000 2.436 289 W HA -0.138 3.837 4.660 -1.142 0.000 0.284 289 W C 1.736 177.974 176.519 -0.468 0.000 1.225 289 W CA 0.924 58.046 57.345 -0.373 0.000 1.271 289 W CB -0.250 29.055 29.460 -0.259 0.000 1.114 289 W HN 0.525 nan 8.180 nan 0.000 0.559 290 R N 0.581 120.832 120.500 -0.415 0.000 2.091 290 R HA -0.131 3.524 4.340 -1.141 0.000 0.238 290 R C 2.556 178.341 176.300 -0.858 0.000 1.136 290 R CA 2.185 58.000 56.100 -0.475 0.000 0.959 290 R CB -0.951 29.314 30.300 -0.058 0.000 0.856 290 R HN 0.225 nan 8.270 nan 0.000 0.437 291 G N -0.232 107.605 108.800 -1.605 0.000 2.404 291 G HA2 -0.185 3.090 3.960 -1.141 0.000 0.215 291 G HA3 -0.185 3.090 3.960 -1.141 0.000 0.215 291 G C 1.409 175.871 174.900 -0.731 0.000 1.174 291 G CA 0.783 45.121 45.100 -1.270 0.000 0.780 291 G HN 0.209 nan 8.290 nan 0.000 0.537 292 V N 0.389 119.686 119.914 -1.028 0.000 2.287 292 V HA -0.252 3.184 4.120 -1.141 0.000 0.248 292 V C 2.956 178.509 176.094 -0.903 0.000 1.053 292 V CA 1.822 63.430 62.300 -1.155 0.000 1.027 292 V CB -0.926 30.052 31.823 -1.408 0.000 0.646 292 V HN 0.562 nan 8.190 nan 0.000 0.447 293 C N -0.026 118.546 119.300 -1.212 0.000 2.429 293 C HA -0.129 3.647 4.460 -1.141 0.000 0.277 293 C C 2.829 177.511 174.990 -0.513 0.000 1.262 293 C CA 1.124 59.548 59.018 -0.990 0.000 1.733 293 C CB -1.015 26.023 27.740 -1.170 0.000 2.010 293 C HN 0.592 nan 8.230 nan 0.000 0.483 294 E N 0.390 120.307 120.200 -0.472 0.000 2.051 294 E HA -0.199 3.467 4.350 -1.141 0.000 0.192 294 E C 2.145 178.602 176.600 -0.237 0.000 0.991 294 E CA 1.331 57.557 56.400 -0.290 0.000 0.799 294 E CB -0.633 28.893 29.700 -0.289 0.000 0.748 294 E HN 0.778 nan 8.360 nan 0.000 0.449 295 E N 0.517 120.530 120.200 -0.312 0.000 2.152 295 E HA -0.124 3.541 4.350 -1.141 0.000 0.192 295 E C 2.122 178.457 176.600 -0.442 0.000 0.983 295 E CA 0.239 56.417 56.400 -0.370 0.000 0.818 295 E CB 0.056 29.546 29.700 -0.349 0.000 0.758 295 E HN 0.111 nan 8.360 nan 0.000 0.467 296 L N 0.869 121.944 121.223 -0.247 0.000 2.056 296 L HA -0.137 3.519 4.340 -1.141 0.000 0.207 296 L C 2.125 179.046 176.870 0.085 0.000 1.078 296 L CA 1.182 56.028 54.840 0.010 0.000 0.749 296 L CB -0.605 41.428 42.059 -0.043 0.000 0.901 296 L HN 0.248 nan 8.230 nan 0.000 0.433 297 L N -0.993 120.234 121.223 0.007 0.000 2.201 297 L HA -0.183 3.473 4.340 -1.141 0.000 0.212 297 L C 2.199 179.138 176.870 0.115 0.000 1.105 297 L CA 1.532 56.415 54.840 0.072 0.000 0.775 297 L CB -1.058 41.028 42.059 0.045 0.000 0.913 297 L HN 0.449 nan 8.230 nan 0.000 0.440 298 W N -0.684 120.517 121.300 -0.165 0.000 2.378 298 W HA -0.222 3.752 4.660 -1.143 0.000 0.313 298 W C 2.335 178.793 176.519 -0.102 0.000 1.197 298 W CA 1.289 58.525 57.345 -0.183 0.000 1.304 298 W CB -0.428 28.825 29.460 -0.344 0.000 1.148 298 W HN 0.091 nan 8.180 nan 0.000 0.494 299 F N 0.563 120.524 119.950 0.018 0.000 2.069 299 F HA -0.242 3.602 4.527 -1.139 0.000 0.298 299 F C 2.376 178.068 175.800 -0.179 0.000 1.113 299 F CA 1.645 59.440 58.000 -0.342 0.000 1.214 299 F CB -1.574 37.072 39.000 -0.590 0.000 0.978 299 F HN -0.164 nan 8.300 nan 0.000 0.474 300 L N -0.692 120.709 121.223 0.296 0.000 2.083 300 L HA -0.199 3.456 4.340 -1.141 0.000 0.209 300 L C 2.476 179.421 176.870 0.125 0.000 1.083 300 L CA 1.206 56.213 54.840 0.279 0.000 0.752 300 L CB -0.584 41.608 42.059 0.222 0.000 0.899 300 L HN 0.067 nan 8.230 nan 0.000 0.433 301 R N -0.022 120.516 120.500 0.063 0.000 2.285 301 R HA -0.051 3.604 4.340 -1.141 0.000 0.213 301 R C 1.261 177.547 176.300 -0.023 0.000 1.068 301 R CA 0.665 56.780 56.100 0.025 0.000 1.004 301 R CB -0.104 30.212 30.300 0.026 0.000 0.873 301 R HN 0.528 nan 8.270 nan 0.000 0.467 302 G N 1.105 109.857 108.800 -0.079 0.000 2.136 302 G HA2 -0.223 3.053 3.960 -1.141 0.000 0.242 302 G HA3 -0.223 3.053 3.960 -1.141 0.000 0.242 302 G C -0.232 174.582 174.900 -0.143 0.000 0.989 302 G CA -0.082 44.967 45.100 -0.086 0.000 0.682 302 G HN 0.251 nan 8.290 nan 0.000 0.522 303 E N -0.147 119.790 120.200 -0.439 0.000 2.409 303 E HA 0.443 4.108 4.350 -1.141 0.000 0.257 303 E C 1.449 177.535 176.600 -0.857 0.000 1.150 303 E CA 0.915 56.911 56.400 -0.674 0.000 0.942 303 E CB 0.651 29.586 29.700 -1.275 0.000 0.979 303 E HN 0.716 nan 8.360 nan 0.000 0.447 304 T N -3.444 110.817 114.554 -0.489 0.000 3.147 304 T HA -0.014 3.651 4.350 -1.141 0.000 0.275 304 T C 0.034 174.784 174.700 0.084 0.000 0.879 304 T CA -0.370 61.536 62.100 -0.324 0.000 0.863 304 T CB -0.299 68.434 68.868 -0.224 0.000 1.236 304 T HN 0.338 nan 8.240 nan 0.000 0.582 305 Y N 3.419 123.755 120.300 0.059 0.000 2.535 305 Y HA 0.730 4.595 4.550 -1.141 0.000 0.349 305 Y C 1.502 177.525 175.900 0.205 0.000 0.992 305 Y CA -1.645 56.440 58.100 -0.025 0.000 1.248 305 Y CB 0.386 38.596 38.460 -0.417 0.000 1.124 305 Y HN 0.249 nan 8.280 nan 0.000 0.520 306 A N 5.614 128.429 122.820 -0.009 0.000 1.958 306 A HA -0.275 3.360 4.320 -1.141 0.000 0.221 306 A C 2.414 179.717 177.584 -0.468 0.000 1.178 306 A CA 2.073 53.910 52.037 -0.334 0.000 0.642 306 A CB -0.548 18.328 19.000 -0.206 0.000 0.816 306 A HN 0.840 nan 8.150 nan 0.000 0.453 307 K N -0.012 119.949 120.400 -0.732 0.000 2.077 307 K HA -0.267 3.368 4.320 -1.141 0.000 0.213 307 K C 1.865 178.217 176.600 -0.414 0.000 1.051 307 K CA 2.131 58.012 56.287 -0.676 0.000 0.929 307 K CB -0.249 31.563 32.500 -1.146 0.000 0.715 307 K HN 0.526 nan 8.250 nan 0.000 0.451 308 K N 0.295 120.489 120.400 -0.344 0.000 2.362 308 K HA -0.146 3.489 4.320 -1.141 0.000 0.202 308 K C 1.981 178.468 176.600 -0.189 0.000 1.045 308 K CA 1.109 57.329 56.287 -0.111 0.000 0.936 308 K CB -0.042 32.526 32.500 0.112 0.000 0.747 308 K HN 0.262 nan 8.250 nan 0.000 0.467 309 L N 0.010 121.019 121.223 -0.355 0.000 2.168 309 L HA -0.082 3.573 4.340 -1.141 0.000 0.203 309 L C 2.431 179.142 176.870 -0.264 0.000 1.078 309 L CA 0.907 55.509 54.840 -0.396 0.000 0.780 309 L CB -0.322 41.371 42.059 -0.609 0.000 0.939 309 L HN 0.168 nan 8.230 nan 0.000 0.451 310 S N -1.656 113.929 115.700 -0.192 0.000 2.515 310 S HA -0.104 3.682 4.470 -1.141 0.000 0.231 310 S C 1.294 175.894 174.600 0.001 0.000 0.987 310 S CA 0.701 58.878 58.200 -0.039 0.000 0.936 310 S CB -0.251 63.033 63.200 0.141 0.000 0.766 310 S HN 0.312 nan 8.310 nan 0.000 0.528 311 D N 1.691 122.054 120.400 -0.062 0.000 2.323 311 D HA 0.114 4.069 4.640 -1.141 0.000 0.209 311 D C 1.162 177.447 176.300 -0.026 0.000 0.973 311 D CA 0.705 54.692 54.000 -0.022 0.000 0.874 311 D CB 0.024 40.808 40.800 -0.027 0.000 0.930 311 D HN 0.515 nan 8.370 nan 0.000 0.521 312 K N -0.329 120.028 120.400 -0.071 0.000 2.437 312 K HA 0.261 3.896 4.320 -1.141 0.000 0.205 312 K C 0.779 177.331 176.600 -0.080 0.000 1.026 312 K CA 0.097 56.345 56.287 -0.065 0.000 1.153 312 K CB 1.148 33.598 32.500 -0.083 0.000 0.863 312 K HN 0.013 nan 8.250 nan 0.000 0.502 313 G N 1.096 109.825 108.800 -0.119 0.000 2.143 313 G HA2 -0.226 3.049 3.960 -1.141 0.000 0.248 313 G HA3 -0.226 3.049 3.960 -1.141 0.000 0.248 313 G C -0.037 174.602 174.900 -0.435 0.000 0.991 313 G CA -0.031 44.959 45.100 -0.183 0.000 0.689 313 G HN 0.149 nan 8.290 nan 0.000 0.522 314 V N 1.734 121.347 119.914 -0.502 0.000 2.357 314 V HA 0.526 3.961 4.120 -1.141 0.000 0.284 314 V C 0.412 176.183 176.094 -0.539 0.000 1.018 314 V CA -0.831 61.258 62.300 -0.352 0.000 0.841 314 V CB 1.432 33.143 31.823 -0.185 0.000 0.991 314 V HN 0.371 nan 8.190 nan 0.000 0.437 315 H N 5.274 124.358 119.070 0.023 0.000 2.512 315 H HA 0.242 4.113 4.556 -1.141 0.000 0.276 315 H C 1.552 176.841 175.328 -0.065 0.000 1.126 315 H CA -0.075 55.953 56.048 -0.033 0.000 1.060 315 H CB 0.480 30.216 29.762 -0.043 0.000 1.646 315 H HN 0.783 nan 8.280 nan 0.000 0.571 316 I N -3.586 116.957 120.570 -0.045 0.000 3.083 316 I HA -0.060 3.426 4.170 -1.141 0.000 0.273 316 I C 0.796 176.696 176.117 -0.361 0.000 1.297 316 I CA 1.071 62.240 61.300 -0.218 0.000 1.452 316 I CB -0.144 37.649 38.000 -0.345 0.000 1.078 316 I HN 0.012 nan 8.210 nan 0.000 0.484 317 W N 0.882 122.087 121.300 -0.157 0.000 2.714 317 W HA 0.232 4.207 4.660 -1.141 0.000 0.353 317 W C 1.388 177.838 176.519 -0.114 0.000 0.999 317 W CA -0.450 56.806 57.345 -0.149 0.000 1.629 317 W CB 0.320 29.648 29.460 -0.220 0.000 1.106 317 W HN 0.006 nan 8.180 nan 0.000 0.545 318 D N 0.581 121.034 120.400 0.088 0.000 2.117 318 D HA -0.196 3.759 4.640 -1.141 0.000 0.197 318 D C 1.448 177.753 176.300 0.008 0.000 0.987 318 D CA 1.700 55.731 54.000 0.053 0.000 0.829 318 D CB -0.251 40.566 40.800 0.029 0.000 0.961 318 D HN 0.040 nan 8.370 nan 0.000 0.460 319 D N -0.108 120.253 120.400 -0.064 0.000 2.117 319 D HA -0.046 3.910 4.640 -1.141 0.000 0.198 319 D C 1.073 177.214 176.300 -0.264 0.000 0.982 319 D CA 0.778 54.700 54.000 -0.131 0.000 0.828 319 D CB -0.306 40.385 40.800 -0.181 0.000 0.967 319 D HN 0.304 nan 8.370 nan 0.000 0.464 320 N N -0.902 117.605 118.700 -0.321 0.000 2.336 320 N HA 0.118 4.173 4.740 -1.141 0.000 0.189 320 N C 1.194 176.786 175.510 0.136 0.000 1.113 320 N CA 0.093 52.808 53.050 -0.557 0.000 0.858 320 N CB 0.831 39.068 38.487 -0.416 0.000 0.970 320 N HN 0.059 nan 8.380 nan 0.000 0.471 321 G N 0.316 109.230 108.800 0.189 0.000 3.228 321 G HA2 -0.012 3.263 3.960 -1.141 0.000 0.245 321 G HA3 -0.012 3.263 3.960 -1.141 0.000 0.245 321 G C 0.638 175.669 174.900 0.217 0.000 1.051 321 G CA -0.218 45.030 45.100 0.247 0.000 0.809 321 G HN 0.250 nan 8.290 nan 0.000 0.531 322 S N 0.121 115.938 115.700 0.196 0.000 2.641 322 S HA 0.183 3.968 4.470 -1.141 0.000 0.251 322 S C 1.557 176.278 174.600 0.202 0.000 1.332 322 S CA 0.336 58.638 58.200 0.170 0.000 0.968 322 S CB 1.158 64.445 63.200 0.145 0.000 0.987 322 S HN 0.164 nan 8.310 nan 0.000 0.587 323 R N 0.284 120.877 120.500 0.154 0.000 2.080 323 R HA 0.253 3.908 4.340 -1.141 0.000 0.222 323 R C 2.383 178.758 176.300 0.126 0.000 1.107 323 R CA 1.594 57.776 56.100 0.136 0.000 0.980 323 R CB -1.390 28.971 30.300 0.101 0.000 0.879 323 R HN 0.757 nan 8.270 nan 0.000 0.439 324 A N -0.144 122.752 122.820 0.127 0.000 1.872 324 A HA -0.079 3.557 4.320 -1.141 0.000 0.214 324 A C 2.131 179.789 177.584 0.123 0.000 1.187 324 A CA 1.265 53.366 52.037 0.106 0.000 0.614 324 A CB -0.911 18.149 19.000 0.099 0.000 0.826 324 A HN 0.457 nan 8.150 nan 0.000 0.442 325 F N 0.106 120.090 119.950 0.056 0.000 2.126 325 F HA -0.160 3.680 4.527 -1.144 0.000 0.299 325 F C 1.832 177.672 175.800 0.067 0.000 1.096 325 F CA 1.567 59.603 58.000 0.061 0.000 1.255 325 F CB -0.247 38.799 39.000 0.077 0.000 0.997 325 F HN 0.165 nan 8.300 nan 0.000 0.479 326 L N 0.699 122.027 121.223 0.175 0.000 2.012 326 L HA -0.250 3.406 4.340 -1.141 0.000 0.210 326 L C 2.165 179.002 176.870 -0.055 0.000 1.073 326 L CA 1.995 56.892 54.840 0.096 0.000 0.748 326 L CB -1.140 41.047 42.059 0.214 0.000 0.891 326 L HN 0.124 nan 8.230 nan 0.000 0.431 327 D N -1.138 119.248 120.400 -0.024 0.000 2.097 327 D HA -0.151 3.804 4.640 -1.141 0.000 0.195 327 D C 2.256 178.488 176.300 -0.113 0.000 0.989 327 D CA 1.602 55.570 54.000 -0.054 0.000 0.827 327 D CB -0.240 40.552 40.800 -0.014 0.000 0.966 327 D HN 0.455 nan 8.370 nan 0.000 0.456 328 S N 0.071 115.686 115.700 -0.141 0.000 2.520 328 S HA -0.128 3.658 4.470 -1.141 0.000 0.249 328 S C 1.591 176.045 174.600 -0.243 0.000 0.983 328 S CA 0.737 58.832 58.200 -0.176 0.000 0.958 328 S CB -0.017 63.075 63.200 -0.180 0.000 0.750 328 S HN 0.046 nan 8.310 nan 0.000 0.527 329 R N 0.194 120.522 120.500 -0.286 0.000 2.437 329 R HA 0.295 3.950 4.340 -1.141 0.000 0.257 329 R C 1.472 177.656 176.300 -0.192 0.000 0.927 329 R CA 0.496 56.438 56.100 -0.265 0.000 1.078 329 R CB -0.180 29.923 30.300 -0.329 0.000 1.161 329 R HN 0.610 nan 8.270 nan 0.000 0.529 330 G N 1.304 110.004 108.800 -0.167 0.000 2.136 330 G HA2 -0.239 3.036 3.960 -1.141 0.000 0.242 330 G HA3 -0.239 3.036 3.960 -1.141 0.000 0.242 330 G C 0.289 175.069 174.900 -0.201 0.000 0.989 330 G CA 0.044 45.054 45.100 -0.150 0.000 0.682 330 G HN 0.307 nan 8.290 nan 0.000 0.522 331 L N 1.896 122.980 121.223 -0.232 0.000 3.001 331 L HA 0.211 3.867 4.340 -1.141 0.000 0.234 331 L C 2.422 179.168 176.870 -0.206 0.000 1.321 331 L CA 0.453 55.067 54.840 -0.377 0.000 1.138 331 L CB -0.236 41.584 42.059 -0.398 0.000 1.503 331 L HN 0.427 nan 8.230 nan 0.000 0.487 332 T N -4.116 110.363 114.554 -0.126 0.000 2.803 332 T HA -0.209 3.456 4.350 -1.141 0.000 0.269 332 T C 1.566 176.281 174.700 0.026 0.000 1.052 332 T CA 1.164 63.246 62.100 -0.031 0.000 1.136 332 T CB 0.051 68.901 68.868 -0.029 0.000 0.864 332 T HN 0.195 nan 8.240 nan 0.000 0.467 333 E N 0.095 120.293 120.200 -0.004 0.000 2.268 333 E HA 0.091 3.757 4.350 -1.141 0.000 0.195 333 E C -0.143 176.644 176.600 0.312 0.000 0.995 333 E CA 0.251 56.717 56.400 0.110 0.000 0.836 333 E CB -0.323 29.408 29.700 0.052 0.000 0.763 333 E HN 0.596 nan 8.360 nan 0.000 0.491 334 Y N 1.620 121.973 120.300 0.089 0.000 2.425 334 Y HA 0.077 3.942 4.550 -1.142 0.000 0.331 334 Y C 1.099 177.119 175.900 0.200 0.000 1.157 334 Y CA -0.954 57.234 58.100 0.148 0.000 1.372 334 Y CB -0.178 38.355 38.460 0.123 0.000 1.253 334 Y HN -0.004 nan 8.280 nan 0.000 0.536 335 E N 2.163 122.602 120.200 0.398 0.000 2.408 335 E HA -0.016 3.649 4.350 -1.141 0.000 0.259 335 E C -0.398 176.381 176.600 0.298 0.000 1.110 335 E CA -0.449 56.129 56.400 0.296 0.000 0.929 335 E CB 0.571 30.437 29.700 0.277 0.000 0.971 335 E HN 0.693 nan 8.360 nan 0.000 0.438 336 E N 2.702 123.050 120.200 0.246 0.000 2.376 336 E HA -0.078 3.587 4.350 -1.141 0.000 0.266 336 E C 0.005 176.753 176.600 0.246 0.000 1.009 336 E CA 0.095 56.628 56.400 0.221 0.000 0.902 336 E CB 0.274 30.072 29.700 0.164 0.000 0.972 336 E HN 0.543 nan 8.360 nan 0.000 0.439 337 M N 1.698 121.422 119.600 0.207 0.000 2.990 337 M HA -0.203 3.593 4.480 -1.141 0.000 0.206 337 M C -0.464 175.963 176.300 0.211 0.000 0.594 337 M CA 0.584 55.964 55.300 0.132 0.000 0.787 337 M CB -1.866 30.708 32.600 -0.043 0.000 2.812 337 M HN 0.536 nan 8.290 nan 0.000 0.300 338 D N 1.826 122.395 120.400 0.282 0.000 2.500 338 D HA 0.487 4.442 4.640 -1.141 0.000 0.219 338 D C 1.014 177.346 176.300 0.055 0.000 1.137 338 D CA -0.199 53.931 54.000 0.217 0.000 0.946 338 D CB 0.157 41.106 40.800 0.249 0.000 1.022 338 D HN 0.436 nan 8.370 nan 0.000 0.518 339 L N 2.483 123.728 121.223 0.036 0.000 2.353 339 L HA 0.109 3.764 4.340 -1.141 0.000 0.220 339 L C 1.608 178.399 176.870 -0.132 0.000 1.133 339 L CA 0.621 55.472 54.840 0.019 0.000 0.798 339 L CB -0.899 41.108 42.059 -0.087 0.000 0.922 339 L HN 0.607 nan 8.230 nan 0.000 0.445 340 G N 0.033 108.524 108.800 -0.514 0.000 2.698 340 G HA2 -0.193 3.083 3.960 -1.141 0.000 0.225 340 G HA3 -0.193 3.083 3.960 -1.141 0.000 0.225 340 G C -2.335 171.786 174.900 -1.297 0.000 1.345 340 G CA -0.313 44.152 45.100 -1.058 0.000 0.871 340 G HN 0.044 nan 8.290 nan 0.000 0.540 341 P HA 0.192 nan 4.420 nan 0.000 0.301 341 P C 1.021 178.076 177.300 -0.407 0.000 1.560 341 P CA 0.906 63.365 63.100 -1.069 0.000 0.784 341 P CB -0.924 30.306 31.700 -0.783 0.000 1.715 342 V N -3.970 115.713 119.914 -0.386 0.000 3.264 342 V HA 0.086 3.521 4.120 -1.141 0.000 0.304 342 V C 1.342 177.332 176.094 -0.173 0.000 1.086 342 V CA -0.602 61.544 62.300 -0.258 0.000 1.090 342 V CB -0.687 31.017 31.823 -0.199 0.000 1.112 342 V HN 0.163 nan 8.190 nan 0.000 0.472 343 Y N 2.201 122.406 120.300 -0.159 0.000 1.480 343 Y HA -0.438 3.426 4.550 -1.143 0.000 0.145 343 Y C 2.470 177.980 175.900 -0.651 0.000 0.662 343 Y CA 2.620 60.459 58.100 -0.436 0.000 0.853 343 Y CB -1.871 36.195 38.460 -0.657 0.000 0.561 343 Y HN 0.838 nan 8.280 nan 0.000 0.787 344 G N -1.175 107.253 108.800 -0.620 0.000 2.507 344 G HA2 -0.334 2.942 3.960 -1.141 0.000 0.221 344 G HA3 -0.334 2.942 3.960 -1.141 0.000 0.221 344 G C 1.309 176.153 174.900 -0.093 0.000 1.119 344 G CA 1.175 45.979 45.100 -0.493 0.000 0.751 344 G HN 0.514 nan 8.290 nan 0.000 0.574 345 F N 0.917 120.742 119.950 -0.208 0.000 2.134 345 F HA -0.096 3.745 4.527 -1.143 0.000 0.299 345 F C 2.859 178.657 175.800 -0.004 0.000 1.097 345 F CA 1.782 59.721 58.000 -0.102 0.000 1.264 345 F CB 0.149 39.011 39.000 -0.230 0.000 1.001 345 F HN 0.090 nan 8.300 nan 0.000 0.479 346 Q N -0.790 119.103 119.800 0.156 0.000 2.230 346 Q HA -0.169 3.487 4.340 -1.141 0.000 0.202 346 Q C 1.984 178.235 176.000 0.417 0.000 0.963 346 Q CA 1.108 57.055 55.803 0.239 0.000 0.866 346 Q CB -0.774 28.148 28.738 0.307 0.000 0.931 346 Q HN 0.530 nan 8.270 nan 0.000 0.452 347 W N 1.333 122.703 121.300 0.118 0.000 2.358 347 W HA -0.093 3.880 4.660 -1.145 0.000 0.303 347 W C 1.816 178.289 176.519 -0.076 0.000 1.208 347 W CA 0.803 58.210 57.345 0.102 0.000 1.274 347 W CB -0.112 29.387 29.460 0.065 0.000 1.138 347 W HN 0.126 nan 8.180 nan 0.000 0.515 348 R N -1.400 119.074 120.500 -0.042 0.000 2.365 348 R HA 0.102 3.757 4.340 -1.141 0.000 0.223 348 R C -0.006 175.823 176.300 -0.785 0.000 0.899 348 R CA 0.545 56.392 56.100 -0.422 0.000 1.059 348 R CB -0.470 29.467 30.300 -0.605 0.000 1.086 348 R HN 0.257 nan 8.270 nan 0.000 0.522 349 H N -0.781 118.132 119.070 -0.262 0.000 3.074 349 H HA 0.141 4.013 4.556 -1.141 0.000 0.227 349 H C -0.763 174.406 175.328 -0.266 0.000 1.365 349 H CA -1.116 54.677 56.048 -0.424 0.000 1.078 349 H CB -0.559 28.537 29.762 -1.111 0.000 2.347 349 H HN -0.055 nan 8.280 nan 0.000 0.567 350 F N 2.089 122.001 119.950 -0.064 0.000 2.612 350 F HA 0.226 4.067 4.527 -1.144 0.000 0.389 350 F C 1.535 177.360 175.800 0.041 0.000 1.055 350 F CA 2.230 60.244 58.000 0.025 0.000 1.232 350 F CB 0.423 39.464 39.000 0.068 0.000 1.044 350 F HN 0.613 nan 8.300 nan 0.000 0.560 351 G N 3.405 111.907 108.800 -0.497 0.000 2.253 351 G HA2 -0.228 3.048 3.960 -1.141 0.000 0.251 351 G HA3 -0.228 3.048 3.960 -1.141 0.000 0.251 351 G C 0.503 175.389 174.900 -0.024 0.000 0.998 351 G CA 0.081 45.039 45.100 -0.237 0.000 0.621 351 G HN 1.385 nan 8.290 nan 0.000 0.524 352 A N 0.322 123.158 122.820 0.028 0.000 2.521 352 A HA 0.643 4.278 4.320 -1.141 0.000 0.237 352 A C 0.944 178.666 177.584 0.230 0.000 1.087 352 A CA 1.369 53.476 52.037 0.116 0.000 0.777 352 A CB 0.182 19.189 19.000 0.012 0.000 1.035 352 A HN 2.177 nan 8.150 nan 0.000 0.510 353 A N 0.193 123.158 122.820 0.241 0.000 2.292 353 A HA 0.582 4.218 4.320 -1.141 0.000 0.319 353 A C -0.625 177.145 177.584 0.310 0.000 1.206 353 A CA -0.306 51.860 52.037 0.214 0.000 0.835 353 A CB 0.229 19.310 19.000 0.134 0.000 1.164 353 A HN 0.869 nan 8.150 nan 0.000 0.505 354 Y N 1.489 121.794 120.300 0.008 0.000 2.376 354 Y HA 0.469 4.336 4.550 -1.139 0.000 0.325 354 Y C 1.450 177.346 175.900 -0.007 0.000 1.199 354 Y CA 0.832 58.866 58.100 -0.109 0.000 1.206 354 Y CB 1.944 40.138 38.460 -0.444 0.000 1.229 354 Y HN 0.850 nan 8.280 nan 0.000 0.480 355 T N -1.078 113.200 114.554 -0.461 0.000 3.467 355 T HA 0.328 3.994 4.350 -1.141 0.000 0.258 355 T C -0.347 173.852 174.700 -0.835 0.000 0.999 355 T CA 0.001 61.875 62.100 -0.377 0.000 1.148 355 T CB 0.164 68.920 68.868 -0.186 0.000 1.186 355 T HN 0.588 nan 8.240 nan 0.000 0.401 356 H N 0.131 118.714 119.070 -0.813 0.000 3.017 356 H HA 0.362 4.234 4.556 -1.140 0.000 0.346 356 H C 0.608 175.490 175.328 -0.743 0.000 1.286 356 H CA 0.142 55.760 56.048 -0.717 0.000 1.120 356 H CB 1.739 31.229 29.762 -0.454 0.000 1.860 356 H HN 0.564 nan 8.280 nan 0.000 0.542 357 H N -0.020 118.931 119.070 -0.198 0.000 2.423 357 H HA -0.099 3.772 4.556 -1.141 0.000 0.297 357 H C 0.581 175.876 175.328 -0.053 0.000 1.075 357 H CA 1.825 57.867 56.048 -0.010 0.000 1.342 357 H CB -0.008 29.749 29.762 -0.009 0.000 1.395 357 H HN 0.497 nan 8.280 nan 0.000 0.530 358 D N 0.659 120.629 120.400 -0.717 0.000 2.328 358 D HA 0.179 4.135 4.640 -1.141 0.000 0.226 358 D C 0.807 176.912 176.300 -0.325 0.000 1.066 358 D CA 0.290 54.034 54.000 -0.427 0.000 0.861 358 D CB -0.260 40.218 40.800 -0.535 0.000 0.912 358 D HN 0.638 nan 8.370 nan 0.000 0.521 359 A N 0.463 123.050 122.820 -0.388 0.000 2.366 359 A HA 0.309 3.944 4.320 -1.141 0.000 0.249 359 A C 0.270 177.438 177.584 -0.694 0.000 1.084 359 A CA -0.552 51.132 52.037 -0.588 0.000 0.794 359 A CB 0.143 18.640 19.000 -0.839 0.000 1.034 359 A HN 0.206 nan 8.150 nan 0.000 0.491 360 N N -0.162 118.153 118.700 -0.642 0.000 2.419 360 N HA 0.323 4.379 4.740 -1.141 0.000 0.264 360 N C -0.887 174.245 175.510 -0.630 0.000 1.031 360 N CA 0.037 52.799 53.050 -0.479 0.000 0.951 360 N CB 0.219 38.530 38.487 -0.293 0.000 1.101 360 N HN 0.488 nan 8.380 nan 0.000 0.488 361 Y N 0.217 120.372 120.300 -0.241 0.000 2.481 361 Y HA 0.283 4.150 4.550 -1.139 0.000 0.247 361 Y C -0.108 175.480 175.900 -0.519 0.000 1.151 361 Y CA -0.651 57.201 58.100 -0.413 0.000 1.238 361 Y CB 0.089 38.197 38.460 -0.588 0.000 1.179 361 Y HN 0.414 nan 8.280 nan 0.000 0.524 362 D N 0.407 120.580 120.400 -0.378 0.000 2.548 362 D HA 0.150 4.106 4.640 -1.141 0.000 0.231 362 D C 1.596 177.634 176.300 -0.437 0.000 1.142 362 D CA 1.873 55.409 54.000 -0.774 0.000 0.866 362 D CB 0.634 40.538 40.800 -1.494 0.000 1.190 362 D HN 0.497 nan 8.370 nan 0.000 0.469 363 G N 1.447 110.127 108.800 -0.200 0.000 2.228 363 G HA2 -0.293 2.982 3.960 -1.141 0.000 0.270 363 G HA3 -0.293 2.982 3.960 -1.141 0.000 0.270 363 G C 0.158 175.130 174.900 0.120 0.000 0.976 363 G CA 0.240 45.455 45.100 0.190 0.000 0.636 363 G HN 0.484 nan 8.290 nan 0.000 0.542 364 Q N 0.448 120.282 119.800 0.057 0.000 2.243 364 Q HA 0.558 4.213 4.340 -1.141 0.000 0.252 364 Q C 0.882 176.956 176.000 0.122 0.000 0.909 364 Q CA 0.449 56.289 55.803 0.062 0.000 0.922 364 Q CB 1.129 29.875 28.738 0.015 0.000 1.215 364 Q HN 1.678 nan 8.270 nan 0.000 0.427 365 G N 0.629 109.492 108.800 0.105 0.000 2.804 365 G HA2 -0.214 3.061 3.960 -1.141 0.000 0.230 365 G HA3 -0.214 3.061 3.960 -1.141 0.000 0.230 365 G C -0.611 174.372 174.900 0.137 0.000 1.386 365 G CA -0.504 44.666 45.100 0.115 0.000 0.875 365 G HN 0.470 nan 8.290 nan 0.000 0.557 366 V N 0.841 120.856 119.914 0.169 0.000 2.461 366 V HA 0.384 3.819 4.120 -1.141 0.000 0.275 366 V C 0.410 176.556 176.094 0.086 0.000 1.047 366 V CA 0.223 62.605 62.300 0.136 0.000 0.955 366 V CB 1.628 33.538 31.823 0.146 0.000 0.988 366 V HN 0.769 nan 8.190 nan 0.000 0.471 367 D N 4.144 124.570 120.400 0.044 0.000 2.494 367 D HA 0.173 4.128 4.640 -1.141 0.000 0.217 367 D C 1.166 177.469 176.300 0.004 0.000 1.153 367 D CA 0.007 53.998 54.000 -0.013 0.000 0.954 367 D CB 0.949 41.747 40.800 -0.002 0.000 1.034 367 D HN 0.617 nan 8.370 nan 0.000 0.518 368 Q N 2.410 122.223 119.800 0.022 0.000 2.050 368 Q HA -0.146 3.510 4.340 -1.141 0.000 0.202 368 Q C 1.742 177.715 176.000 -0.044 0.000 0.980 368 Q CA 0.894 56.710 55.803 0.022 0.000 0.840 368 Q CB 0.262 29.056 28.738 0.093 0.000 0.898 368 Q HN 0.553 nan 8.270 nan 0.000 0.424 369 I N 1.447 121.939 120.570 -0.131 0.000 2.208 369 I HA -0.269 3.217 4.170 -1.141 0.000 0.245 369 I C 2.336 178.374 176.117 -0.132 0.000 1.097 369 I CA 1.519 62.684 61.300 -0.225 0.000 1.363 369 I CB -1.097 36.749 38.000 -0.256 0.000 1.051 369 I HN 0.259 nan 8.210 nan 0.000 0.413 370 K N 1.207 121.567 120.400 -0.068 0.000 2.147 370 K HA -0.141 3.495 4.320 -1.141 0.000 0.205 370 K C 2.169 178.750 176.600 -0.032 0.000 1.049 370 K CA 1.477 57.745 56.287 -0.032 0.000 0.936 370 K CB 0.067 32.574 32.500 0.011 0.000 0.722 370 K HN 0.257 nan 8.250 nan 0.000 0.446 371 A N 1.320 124.125 122.820 -0.026 0.000 1.872 371 A HA -0.057 3.578 4.320 -1.141 0.000 0.214 371 A C 2.062 179.628 177.584 -0.030 0.000 1.187 371 A CA 1.150 53.178 52.037 -0.015 0.000 0.614 371 A CB -0.504 18.498 19.000 0.003 0.000 0.826 371 A HN 0.310 nan 8.150 nan 0.000 0.442 372 I N -0.146 120.399 120.570 -0.042 0.000 2.194 372 I HA -0.259 3.227 4.170 -1.141 0.000 0.246 372 I C 2.355 178.396 176.117 -0.127 0.000 1.093 372 I CA 1.246 62.511 61.300 -0.058 0.000 1.355 372 I CB -0.341 37.622 38.000 -0.062 0.000 1.046 372 I HN 0.156 nan 8.210 nan 0.000 0.413 373 V N 0.607 120.432 119.914 -0.149 0.000 2.287 373 V HA -0.257 3.179 4.120 -1.141 0.000 0.248 373 V C 2.480 178.517 176.094 -0.094 0.000 1.053 373 V CA 1.824 64.036 62.300 -0.147 0.000 1.027 373 V CB -0.614 31.135 31.823 -0.123 0.000 0.646 373 V HN 0.413 nan 8.190 nan 0.000 0.447 374 E N -0.031 120.132 120.200 -0.061 0.000 2.150 374 E HA -0.134 3.531 4.350 -1.141 0.000 0.193 374 E C 2.285 178.862 176.600 -0.038 0.000 0.985 374 E CA 1.652 58.027 56.400 -0.042 0.000 0.814 374 E CB -0.611 29.075 29.700 -0.024 0.000 0.752 374 E HN 0.624 nan 8.360 nan 0.000 0.466 375 T N 1.847 116.379 114.554 -0.037 0.000 2.770 375 T HA -0.009 3.656 4.350 -1.141 0.000 0.263 375 T C 2.168 176.847 174.700 -0.036 0.000 1.039 375 T CA 0.449 62.534 62.100 -0.026 0.000 1.142 375 T CB -0.253 68.609 68.868 -0.009 0.000 0.868 375 T HN 0.060 nan 8.240 nan 0.000 0.435 376 L N 0.669 121.858 121.223 -0.056 0.000 2.081 376 L HA -0.172 3.483 4.340 -1.141 0.000 0.212 376 L C 2.513 179.347 176.870 -0.060 0.000 1.080 376 L CA 1.474 56.274 54.840 -0.066 0.000 0.754 376 L CB -0.426 41.563 42.059 -0.116 0.000 0.893 376 L HN 0.258 nan 8.230 nan 0.000 0.433 377 K N -1.258 119.106 120.400 -0.059 0.000 2.366 377 K HA -0.057 3.578 4.320 -1.141 0.000 0.198 377 K C 1.758 178.335 176.600 -0.039 0.000 1.044 377 K CA 1.551 57.807 56.287 -0.051 0.000 0.973 377 K CB 0.071 32.541 32.500 -0.051 0.000 0.767 377 K HN 0.502 nan 8.250 nan 0.000 0.475 378 T N -3.385 111.149 114.554 -0.033 0.000 2.964 378 T HA 0.055 3.720 4.350 -1.141 0.000 0.250 378 T C 0.662 175.348 174.700 -0.023 0.000 0.982 378 T CA -0.168 61.917 62.100 -0.026 0.000 0.959 378 T CB 0.128 68.984 68.868 -0.021 0.000 1.141 378 T HN -0.052 nan 8.240 nan 0.000 0.494 379 N N 2.072 120.759 118.700 -0.023 0.000 2.646 379 N HA 0.339 4.394 4.740 -1.141 0.000 0.296 379 N C -2.154 173.342 175.510 -0.024 0.000 1.886 379 N CA -1.930 51.108 53.050 -0.019 0.000 0.855 379 N CB 1.180 39.661 38.487 -0.010 0.000 1.336 379 N HN 0.034 nan 8.380 nan 0.000 0.496 380 P HA -0.123 nan 4.420 nan 0.000 0.223 380 P C -0.174 177.085 177.300 -0.068 0.000 1.140 380 P CA 1.122 64.191 63.100 -0.052 0.000 0.783 380 P CB 0.407 32.068 31.700 -0.066 0.000 0.759 381 D N -0.922 119.447 120.400 -0.051 0.000 2.349 381 D HA -0.011 3.945 4.640 -1.141 0.000 0.214 381 D C 0.664 176.964 176.300 0.001 0.000 1.063 381 D CA 0.121 54.092 54.000 -0.049 0.000 0.847 381 D CB -0.394 40.384 40.800 -0.037 0.000 0.933 381 D HN 0.252 nan 8.370 nan 0.000 0.513 382 D N 1.216 121.622 120.400 0.009 0.000 2.525 382 D HA -0.080 3.875 4.640 -1.141 0.000 0.235 382 D C 0.359 176.694 176.300 0.058 0.000 1.137 382 D CA 0.256 54.274 54.000 0.029 0.000 0.868 382 D CB 0.726 41.541 40.800 0.025 0.000 1.180 382 D HN -0.004 nan 8.370 nan 0.000 0.465 383 R N 3.145 123.680 120.500 0.058 0.000 2.978 383 R HA 0.160 3.815 4.340 -1.141 0.000 0.298 383 R C 0.411 176.744 176.300 0.055 0.000 1.296 383 R CA 0.002 56.146 56.100 0.073 0.000 1.181 383 R CB 0.451 30.789 30.300 0.063 0.000 1.348 383 R HN 0.297 nan 8.270 nan 0.000 0.585 384 R N -0.026 120.509 120.500 0.057 0.000 2.544 384 R HA 0.222 3.878 4.340 -1.141 0.000 0.426 384 R C -0.280 176.059 176.300 0.066 0.000 0.943 384 R CA -0.158 55.968 56.100 0.044 0.000 1.162 384 R CB 0.708 31.024 30.300 0.026 0.000 1.588 384 R HN 0.059 nan 8.270 nan 0.000 0.563 385 M N 3.024 122.688 119.600 0.108 0.000 3.213 385 M HA 0.282 4.077 4.480 -1.141 0.000 0.275 385 M C -0.643 175.802 176.300 0.241 0.000 1.424 385 M CA 0.159 55.560 55.300 0.168 0.000 1.561 385 M CB -0.208 32.512 32.600 0.199 0.000 1.109 385 M HN 0.074 nan 8.290 nan 0.000 0.552 386 L N -0.034 121.290 121.223 0.168 0.000 2.455 386 L HA 0.837 4.493 4.340 -1.141 0.000 0.264 386 L C -0.941 176.013 176.870 0.141 0.000 0.968 386 L CA -1.152 53.764 54.840 0.127 0.000 0.827 386 L CB 1.327 43.367 42.059 -0.031 0.000 1.317 386 L HN 0.325 nan 8.230 nan 0.000 0.407 387 F N -0.257 119.678 119.950 -0.025 0.000 2.432 387 F HA 0.934 4.780 4.527 -1.135 0.000 0.329 387 F C 0.114 175.892 175.800 -0.037 0.000 1.076 387 F CA -0.829 57.129 58.000 -0.070 0.000 1.018 387 F CB 1.570 40.470 39.000 -0.167 0.000 1.201 387 F HN 0.677 nan 8.300 nan 0.000 0.489 388 T N 0.120 114.731 114.554 0.094 0.000 2.903 388 T HA 0.688 4.354 4.350 -1.141 0.000 0.299 388 T C -0.267 174.685 174.700 0.420 0.000 1.093 388 T CA -0.070 62.108 62.100 0.129 0.000 1.002 388 T CB 1.537 70.451 68.868 0.078 0.000 1.127 388 T HN 1.099 nan 8.240 nan 0.000 0.488 389 A N 2.597 125.696 122.820 0.465 0.000 2.551 389 A HA 0.296 3.932 4.320 -1.141 0.000 0.252 389 A C 0.214 177.995 177.584 0.329 0.000 1.199 389 A CA -0.516 51.806 52.037 0.475 0.000 0.972 389 A CB 0.202 19.496 19.000 0.489 0.000 1.153 389 A HN 0.777 nan 8.150 nan 0.000 0.559 390 W N 2.378 123.808 121.300 0.217 0.000 2.365 390 W HA 0.377 4.371 4.660 -1.111 0.000 0.371 390 W C -0.942 175.705 176.519 0.213 0.000 1.006 390 W CA -0.506 56.929 57.345 0.150 0.000 1.528 390 W CB 0.286 29.807 29.460 0.102 0.000 1.497 390 W HN 0.270 nan 8.180 nan 0.000 0.367 391 N N 7.013 125.640 118.700 -0.123 0.000 2.706 391 N HA 0.236 4.291 4.740 -1.141 0.000 0.240 391 N C -1.823 173.517 175.510 -0.282 0.000 1.039 391 N CA -2.194 50.816 53.050 -0.066 0.000 0.888 391 N CB 1.495 39.821 38.487 -0.267 0.000 1.128 391 N HN 0.039 nan 8.380 nan 0.000 0.512 392 P HA -0.163 nan 4.420 nan 0.000 0.218 392 P C 0.976 178.193 177.300 -0.137 0.000 1.152 392 P CA 1.312 64.313 63.100 -0.166 0.000 0.857 392 P CB 0.463 32.188 31.700 0.042 0.000 0.787 393 S N -0.363 115.273 115.700 -0.105 0.000 2.344 393 S HA -0.148 3.637 4.470 -1.141 0.000 0.217 393 S C 2.064 176.585 174.600 -0.132 0.000 1.033 393 S CA 1.536 59.679 58.200 -0.096 0.000 1.017 393 S CB -1.227 61.923 63.200 -0.083 0.000 0.941 393 S HN 0.176 nan 8.310 nan 0.000 0.430 394 A N 0.844 123.556 122.820 -0.180 0.000 2.168 394 A HA 0.108 3.743 4.320 -1.141 0.000 0.215 394 A C 1.918 179.382 177.584 -0.200 0.000 1.152 394 A CA 0.496 52.427 52.037 -0.177 0.000 0.716 394 A CB -0.564 18.319 19.000 -0.194 0.000 0.794 394 A HN 0.323 nan 8.150 nan 0.000 0.465 395 L N 0.371 121.442 121.223 -0.253 0.000 2.010 395 L HA -0.171 3.484 4.340 -1.141 0.000 0.219 395 L C -0.578 176.177 176.870 -0.192 0.000 1.077 395 L CA 2.707 57.373 54.840 -0.290 0.000 0.773 395 L CB -1.370 40.452 42.059 -0.394 0.000 0.892 395 L HN 0.209 nan 8.230 nan 0.000 0.436 396 P HA -0.127 nan 4.420 nan 0.000 0.221 396 P C 1.178 178.403 177.300 -0.125 0.000 1.145 396 P CA 1.084 64.112 63.100 -0.120 0.000 0.795 396 P CB -0.008 31.631 31.700 -0.101 0.000 0.775 397 R N -1.638 118.788 120.500 -0.122 0.000 2.210 397 R HA 0.207 3.862 4.340 -1.141 0.000 0.203 397 R C 1.154 177.430 176.300 -0.041 0.000 1.010 397 R CA 0.383 56.423 56.100 -0.100 0.000 1.008 397 R CB -0.742 29.518 30.300 -0.067 0.000 0.923 397 R HN 0.357 nan 8.270 nan 0.000 0.469 398 M N -0.425 119.124 119.600 -0.084 0.000 2.228 398 M HA 0.172 3.967 4.480 -1.141 0.000 0.326 398 M C 1.534 177.872 176.300 0.063 0.000 1.122 398 M CA -0.025 55.245 55.300 -0.050 0.000 1.161 398 M CB 0.862 33.391 32.600 -0.119 0.000 1.437 398 M HN -0.014 nan 8.290 nan 0.000 0.465 399 A N 2.369 125.291 122.820 0.169 0.000 2.019 399 A HA 0.161 3.797 4.320 -1.141 0.000 0.219 399 A C 0.589 178.399 177.584 0.376 0.000 1.164 399 A CA 1.208 53.443 52.037 0.331 0.000 0.644 399 A CB -0.492 18.791 19.000 0.471 0.000 0.805 399 A HN 0.797 nan 8.150 nan 0.000 0.449 400 L N -6.262 115.114 121.223 0.255 0.000 2.948 400 L HA 0.475 4.131 4.340 -1.141 0.000 0.248 400 L C -3.460 173.461 176.870 0.086 0.000 0.977 400 L CA -1.889 53.078 54.840 0.212 0.000 1.002 400 L CB 0.688 42.964 42.059 0.361 0.000 1.519 400 L HN -0.218 nan 8.230 nan 0.000 0.422 401 P HA 0.273 nan 4.420 nan 0.000 0.270 401 P C -2.595 174.695 177.300 -0.017 0.000 1.223 401 P CA -0.593 62.470 63.100 -0.062 0.000 0.785 401 P CB -0.167 31.534 31.700 0.002 0.000 0.923 402 P HA 0.082 nan 4.420 nan 0.000 0.275 402 P C -0.084 177.365 177.300 0.247 0.000 1.227 402 P CA -0.061 62.931 63.100 -0.180 0.000 0.781 402 P CB 0.785 32.342 31.700 -0.239 0.000 0.906 403 C N 0.916 120.436 119.300 0.366 0.000 2.524 403 C HA 0.026 3.802 4.460 -1.141 0.000 0.284 403 C C 1.230 176.469 174.990 0.416 0.000 1.346 403 C CA 0.487 59.740 59.018 0.391 0.000 1.739 403 C CB -1.539 26.446 27.740 0.409 0.000 2.119 403 C HN 0.705 nan 8.230 nan 0.000 0.501 404 H N 0.500 119.875 119.070 0.508 0.000 2.700 404 H HA 0.503 4.374 4.556 -1.143 0.000 0.269 404 H C 0.388 176.012 175.328 0.494 0.000 1.222 404 H CA -0.594 55.680 56.048 0.377 0.000 1.254 404 H CB -0.055 29.937 29.762 0.383 0.000 1.413 404 H HN 0.276 nan 8.280 nan 0.000 0.507 405 L N 0.704 122.146 121.223 0.365 0.000 2.607 405 L HA 0.401 4.057 4.340 -1.141 0.000 0.228 405 L C -0.446 176.550 176.870 0.210 0.000 1.123 405 L CA -0.021 55.034 54.840 0.358 0.000 0.890 405 L CB 0.324 42.656 42.059 0.454 0.000 1.103 405 L HN 0.457 nan 8.230 nan 0.000 0.468 406 L N 0.609 121.867 121.223 0.059 0.000 2.549 406 L HA 0.894 4.549 4.340 -1.141 0.000 0.259 406 L C -1.388 175.238 176.870 -0.406 0.000 0.934 406 L CA -0.433 54.298 54.840 -0.182 0.000 0.865 406 L CB 1.949 43.949 42.059 -0.098 0.000 1.352 406 L HN 0.079 nan 8.230 nan 0.000 0.410 407 A N 3.973 126.340 122.820 -0.754 0.000 2.449 407 A HA 0.815 4.451 4.320 -1.141 0.000 0.302 407 A C -1.533 175.725 177.584 -0.543 0.000 1.048 407 A CA -0.489 51.108 52.037 -0.734 0.000 0.708 407 A CB 1.861 20.327 19.000 -0.890 0.000 1.274 407 A HN 0.692 nan 8.150 nan 0.000 0.410 408 Q N 1.464 120.994 119.800 -0.449 0.000 2.323 408 Q HA 0.645 4.301 4.340 -1.141 0.000 0.271 408 Q C -1.962 173.833 176.000 -0.343 0.000 1.048 408 Q CA -0.439 55.205 55.803 -0.265 0.000 0.792 408 Q CB 1.338 29.995 28.738 -0.135 0.000 1.280 408 Q HN 0.623 nan 8.270 nan 0.000 0.441 409 F N 2.463 122.479 119.950 0.110 0.000 2.397 409 F HA 0.469 4.314 4.527 -1.137 0.000 0.331 409 F C -0.504 175.404 175.800 0.180 0.000 1.090 409 F CA -0.478 57.602 58.000 0.133 0.000 1.065 409 F CB 1.095 40.159 39.000 0.107 0.000 1.184 409 F HN 0.499 nan 8.300 nan 0.000 0.499 410 Y N 1.603 122.025 120.300 0.202 0.000 2.492 410 Y HA 0.721 4.587 4.550 -1.139 0.000 0.346 410 Y C -1.638 174.329 175.900 0.113 0.000 0.997 410 Y CA -1.010 57.160 58.100 0.116 0.000 1.025 410 Y CB 1.661 40.158 38.460 0.060 0.000 1.263 410 Y HN 0.332 nan 8.280 nan 0.000 0.454 411 V N 3.982 123.586 119.914 -0.516 0.000 2.680 411 V HA 0.726 4.161 4.120 -1.141 0.000 0.309 411 V C -0.842 174.900 176.094 -0.586 0.000 1.052 411 V CA -0.659 61.419 62.300 -0.371 0.000 0.908 411 V CB 1.612 33.315 31.823 -0.201 0.000 1.001 411 V HN 0.706 nan 8.190 nan 0.000 0.431 412 S N 3.577 119.122 115.700 -0.259 0.000 2.584 412 S HA 0.407 4.193 4.470 -1.141 0.000 0.280 412 S C -0.238 174.335 174.600 -0.045 0.000 1.162 412 S CA -0.553 57.559 58.200 -0.146 0.000 0.951 412 S CB 0.859 64.048 63.200 -0.018 0.000 1.108 412 S HN 0.886 nan 8.310 nan 0.000 0.464 413 N N 2.844 121.523 118.700 -0.035 0.000 2.721 413 N HA -0.191 3.864 4.740 -1.141 0.000 0.249 413 N C 0.945 176.448 175.510 -0.012 0.000 1.072 413 N CA 1.775 54.818 53.050 -0.012 0.000 0.710 413 N CB -1.706 36.785 38.487 0.008 0.000 0.993 413 N HN 1.919 nan 8.380 nan 0.000 0.547 414 G N -0.912 107.871 108.800 -0.028 0.000 2.166 414 G HA2 -0.342 2.934 3.960 -1.141 0.000 0.260 414 G HA3 -0.342 2.934 3.960 -1.141 0.000 0.260 414 G C -0.246 174.650 174.900 -0.006 0.000 0.986 414 G CA 0.779 45.866 45.100 -0.021 0.000 0.683 414 G HN 0.613 nan 8.290 nan 0.000 0.527 415 E N -0.435 119.767 120.200 0.003 0.000 2.133 415 E HA 0.509 4.175 4.350 -1.141 0.000 0.274 415 E C -0.301 176.331 176.600 0.052 0.000 0.930 415 E CA -0.957 55.464 56.400 0.034 0.000 0.770 415 E CB 1.805 31.535 29.700 0.050 0.000 1.104 415 E HN 0.186 nan 8.360 nan 0.000 0.403 416 L N 3.057 124.324 121.223 0.073 0.000 2.283 416 L HA 0.218 3.873 4.340 -1.141 0.000 0.287 416 L C -0.614 176.377 176.870 0.202 0.000 1.073 416 L CA 0.347 55.264 54.840 0.130 0.000 0.822 416 L CB 0.717 42.842 42.059 0.111 0.000 1.186 416 L HN 0.318 nan 8.230 nan 0.000 0.436 417 S N 3.676 119.526 115.700 0.249 0.000 2.690 417 S HA 0.653 4.439 4.470 -1.141 0.000 0.291 417 S C -0.982 173.755 174.600 0.227 0.000 1.138 417 S CA -0.627 57.713 58.200 0.233 0.000 1.013 417 S CB 1.512 64.861 63.200 0.248 0.000 1.053 417 S HN 0.824 nan 8.310 nan 0.000 0.539 418 C N 3.355 122.712 119.300 0.096 0.000 2.642 418 C HA 0.732 4.508 4.460 -1.141 0.000 0.344 418 C C -0.619 174.291 174.990 -0.134 0.000 1.110 418 C CA -0.692 58.252 59.018 -0.125 0.000 1.298 418 C CB 0.204 27.850 27.740 -0.156 0.000 1.827 418 C HN 0.989 nan 8.230 nan 0.000 0.467 419 M N 6.065 125.538 119.600 -0.212 0.000 2.423 419 M HA 0.814 4.610 4.480 -1.141 0.000 0.335 419 M C -1.129 175.012 176.300 -0.265 0.000 1.177 419 M CA -0.313 54.887 55.300 -0.167 0.000 1.038 419 M CB 1.470 33.994 32.600 -0.126 0.000 1.641 419 M HN 0.778 nan 8.290 nan 0.000 0.455 420 L N 4.586 125.655 121.223 -0.256 0.000 2.354 420 L HA 0.602 4.257 4.340 -1.141 0.000 0.269 420 L C -2.321 174.446 176.870 -0.171 0.000 1.005 420 L CA -0.412 54.184 54.840 -0.407 0.000 0.819 420 L CB 1.936 43.526 42.059 -0.782 0.000 1.311 420 L HN 0.765 nan 8.230 nan 0.000 0.423 421 Y N 3.189 123.351 120.300 -0.231 0.000 2.338 421 Y HA 0.542 4.391 4.550 -1.168 0.000 0.328 421 Y C -0.836 175.051 175.900 -0.021 0.000 0.965 421 Y CA -0.246 57.793 58.100 -0.102 0.000 1.208 421 Y CB 1.218 39.607 38.460 -0.118 0.000 1.132 421 Y HN 0.783 nan 8.280 nan 0.000 0.469 422 Q N 6.714 126.280 119.800 -0.391 0.000 2.341 422 Q HA 0.311 3.966 4.340 -1.141 0.000 0.268 422 Q C 0.573 176.449 176.000 -0.207 0.000 1.013 422 Q CA -0.706 55.042 55.803 -0.091 0.000 0.798 422 Q CB 1.138 29.954 28.738 0.131 0.000 1.253 422 Q HN 0.976 nan 8.270 nan 0.000 0.457 423 R N 1.445 121.964 120.500 0.032 0.000 2.062 423 R HA 0.099 3.754 4.340 -1.141 0.000 0.229 423 R C 0.448 176.833 176.300 0.142 0.000 1.128 423 R CA 0.694 56.856 56.100 0.103 0.000 0.960 423 R CB -0.034 30.372 30.300 0.177 0.000 0.855 423 R HN 0.313 nan 8.270 nan 0.000 0.432 424 S N 0.229 116.047 115.700 0.196 0.000 2.474 424 S HA 0.406 4.191 4.470 -1.141 0.000 0.321 424 S C -1.106 173.634 174.600 0.234 0.000 1.080 424 S CA -0.913 57.447 58.200 0.266 0.000 1.106 424 S CB 0.952 64.325 63.200 0.287 0.000 0.984 424 S HN 0.399 nan 8.310 nan 0.000 0.464 425 C N 4.196 123.571 119.300 0.125 0.000 2.293 425 C HA 0.459 4.235 4.460 -1.141 0.000 0.323 425 C C -0.089 174.657 174.990 -0.406 0.000 1.240 425 C CA -1.295 57.700 59.018 -0.037 0.000 1.497 425 C CB 0.072 27.780 27.740 -0.053 0.000 2.171 425 C HN 0.824 nan 8.230 nan 0.000 0.465 426 D N 3.818 124.086 120.400 -0.220 0.000 2.393 426 D HA 0.192 4.147 4.640 -1.141 0.000 0.232 426 D C 1.194 177.482 176.300 -0.019 0.000 1.192 426 D CA -0.381 53.480 54.000 -0.231 0.000 0.882 426 D CB 0.645 41.553 40.800 0.179 0.000 1.038 426 D HN 0.351 nan 8.370 nan 0.000 0.499 427 M N 2.667 122.222 119.600 -0.075 0.000 2.202 427 M HA -0.025 3.771 4.480 -1.141 0.000 0.262 427 M C 1.884 178.313 176.300 0.215 0.000 1.063 427 M CA 1.079 56.411 55.300 0.054 0.000 1.097 427 M CB -1.213 31.320 32.600 -0.112 0.000 1.382 427 M HN 0.500 nan 8.290 nan 0.000 0.413 428 G N -0.379 108.544 108.800 0.206 0.000 2.424 428 G HA2 -0.061 3.215 3.960 -1.141 0.000 0.214 428 G HA3 -0.061 3.215 3.960 -1.141 0.000 0.214 428 G C 1.460 176.459 174.900 0.165 0.000 1.202 428 G CA 0.402 45.615 45.100 0.188 0.000 0.793 428 G HN 0.386 nan 8.290 nan 0.000 0.534 429 L N 0.376 121.707 121.223 0.180 0.000 2.500 429 L HA 0.445 4.101 4.340 -1.141 0.000 0.219 429 L C 2.560 179.526 176.870 0.159 0.000 1.057 429 L CA 1.482 56.408 54.840 0.144 0.000 0.854 429 L CB -0.263 41.858 42.059 0.104 0.000 1.078 429 L HN 0.190 nan 8.230 nan 0.000 0.480 430 G N -0.738 108.162 108.800 0.165 0.000 2.496 430 G HA2 -0.117 3.159 3.960 -1.141 0.000 0.214 430 G HA3 -0.117 3.159 3.960 -1.141 0.000 0.214 430 G C 1.453 176.489 174.900 0.225 0.000 1.234 430 G CA 0.952 46.147 45.100 0.159 0.000 0.807 430 G HN 0.144 nan 8.290 nan 0.000 0.543 431 V N 2.414 122.465 119.914 0.227 0.000 2.277 431 V HA -0.185 3.250 4.120 -1.141 0.000 0.253 431 V C 0.331 176.549 176.094 0.207 0.000 1.067 431 V CA 2.592 65.057 62.300 0.275 0.000 1.047 431 V CB -1.268 30.737 31.823 0.303 0.000 0.649 431 V HN 0.315 nan 8.190 nan 0.000 0.447 432 P HA -0.142 nan 4.420 nan 0.000 0.218 432 P C 1.674 178.993 177.300 0.032 0.000 1.149 432 P CA 1.341 64.427 63.100 -0.025 0.000 0.817 432 P CB -0.098 31.577 31.700 -0.042 0.000 0.785 433 F N 0.489 120.439 119.950 -0.000 0.000 2.113 433 F HA -0.156 3.686 4.527 -1.142 0.000 0.297 433 F C 1.972 177.750 175.800 -0.036 0.000 1.103 433 F CA 1.470 59.465 58.000 -0.009 0.000 1.248 433 F CB -0.443 38.568 39.000 0.019 0.000 0.999 433 F HN -0.142 nan 8.300 nan 0.000 0.475 434 N N 0.689 119.544 118.700 0.259 0.000 2.188 434 N HA -0.150 3.905 4.740 -1.141 0.000 0.184 434 N C 2.002 177.510 175.510 -0.003 0.000 1.018 434 N CA 1.624 54.760 53.050 0.142 0.000 0.858 434 N CB -0.353 38.228 38.487 0.157 0.000 0.989 434 N HN 0.367 nan 8.380 nan 0.000 0.426 435 I N 0.980 121.499 120.570 -0.085 0.000 2.614 435 I HA -0.157 3.328 4.170 -1.141 0.000 0.258 435 I C 2.186 178.143 176.117 -0.267 0.000 1.189 435 I CA 0.432 61.573 61.300 -0.264 0.000 1.462 435 I CB -0.112 37.601 38.000 -0.478 0.000 1.092 435 I HN 0.062 nan 8.210 nan 0.000 0.442 436 A N -0.009 122.686 122.820 -0.210 0.000 1.943 436 A HA -0.065 3.570 4.320 -1.141 0.000 0.213 436 A C 2.454 179.960 177.584 -0.130 0.000 1.181 436 A CA 1.172 53.109 52.037 -0.166 0.000 0.653 436 A CB -0.386 18.516 19.000 -0.164 0.000 0.833 436 A HN 0.317 nan 8.150 nan 0.000 0.451 437 S N -0.641 114.946 115.700 -0.187 0.000 2.351 437 S HA -0.180 3.606 4.470 -1.141 0.000 0.220 437 S C 1.664 176.125 174.600 -0.231 0.000 1.035 437 S CA 1.641 59.709 58.200 -0.220 0.000 1.031 437 S CB -0.667 62.416 63.200 -0.195 0.000 0.928 437 S HN 0.641 nan 8.310 nan 0.000 0.433 438 Y N 1.375 121.638 120.300 -0.062 0.000 2.583 438 Y HA 0.217 4.085 4.550 -1.136 0.000 0.293 438 Y C 2.248 178.146 175.900 -0.004 0.000 1.157 438 Y CA 0.237 58.328 58.100 -0.016 0.000 1.315 438 Y CB -0.388 38.015 38.460 -0.095 0.000 1.021 438 Y HN 0.295 nan 8.280 nan 0.000 0.536 439 A N -0.582 122.260 122.820 0.036 0.000 1.943 439 A HA -0.021 3.615 4.320 -1.141 0.000 0.213 439 A C 2.102 179.723 177.584 0.063 0.000 1.181 439 A CA 0.531 52.582 52.037 0.023 0.000 0.653 439 A CB -0.604 18.347 19.000 -0.082 0.000 0.833 439 A HN 0.461 nan 8.150 nan 0.000 0.451 440 L N -0.684 120.576 121.223 0.062 0.000 2.027 440 L HA -0.115 3.541 4.340 -1.141 0.000 0.206 440 L C 2.480 179.398 176.870 0.079 0.000 1.074 440 L CA 1.691 56.593 54.840 0.103 0.000 0.745 440 L CB -0.251 41.825 42.059 0.029 0.000 0.898 440 L HN 0.457 nan 8.230 nan 0.000 0.433 441 L N -0.359 120.888 121.223 0.039 0.000 2.012 441 L HA -0.228 3.427 4.340 -1.141 0.000 0.210 441 L C 2.375 179.329 176.870 0.139 0.000 1.073 441 L CA 2.383 57.264 54.840 0.067 0.000 0.748 441 L CB -0.820 41.261 42.059 0.037 0.000 0.891 441 L HN 0.187 nan 8.230 nan 0.000 0.431 442 T N 0.091 114.775 114.554 0.215 0.000 2.665 442 T HA -0.213 3.452 4.350 -1.141 0.000 0.268 442 T C 1.933 176.722 174.700 0.149 0.000 1.035 442 T CA 2.218 64.486 62.100 0.280 0.000 1.151 442 T CB -0.410 68.613 68.868 0.259 0.000 0.862 442 T HN 0.350 nan 8.240 nan 0.000 0.438 443 I N 0.463 121.106 120.570 0.122 0.000 2.179 443 I HA -0.142 3.344 4.170 -1.141 0.000 0.242 443 I C 2.310 178.452 176.117 0.041 0.000 1.088 443 I CA 1.205 62.571 61.300 0.110 0.000 1.357 443 I CB -0.365 37.737 38.000 0.171 0.000 1.051 443 I HN 0.196 nan 8.210 nan 0.000 0.409 444 L N 0.144 121.375 121.223 0.013 0.000 2.046 444 L HA -0.222 3.433 4.340 -1.141 0.000 0.208 444 L C 2.493 179.269 176.870 -0.156 0.000 1.077 444 L CA 1.073 55.835 54.840 -0.131 0.000 0.747 444 L CB -0.419 41.566 42.059 -0.122 0.000 0.896 444 L HN 0.247 nan 8.230 nan 0.000 0.432 445 I N 0.008 120.507 120.570 -0.118 0.000 2.394 445 I HA -0.209 3.277 4.170 -1.141 0.000 0.251 445 I C 2.797 178.805 176.117 -0.180 0.000 1.136 445 I CA 1.404 62.580 61.300 -0.206 0.000 1.425 445 I CB -1.471 36.305 38.000 -0.372 0.000 1.079 445 I HN 0.172 nan 8.210 nan 0.000 0.425 446 A N 1.089 123.848 122.820 -0.101 0.000 1.902 446 A HA -0.203 3.433 4.320 -1.141 0.000 0.217 446 A C 2.371 179.903 177.584 -0.088 0.000 1.181 446 A CA 1.423 53.419 52.037 -0.068 0.000 0.623 446 A CB -0.449 18.549 19.000 -0.003 0.000 0.818 446 A HN 0.331 nan 8.150 nan 0.000 0.443 447 K N -0.297 120.033 120.400 -0.116 0.000 2.057 447 K HA -0.070 3.565 4.320 -1.141 0.000 0.207 447 K C 2.014 178.532 176.600 -0.136 0.000 1.049 447 K CA 1.179 57.376 56.287 -0.150 0.000 0.931 447 K CB -0.310 32.025 32.500 -0.276 0.000 0.714 447 K HN 0.426 nan 8.250 nan 0.000 0.440 448 A N 1.054 123.786 122.820 -0.146 0.000 2.239 448 A HA -0.058 3.577 4.320 -1.141 0.000 0.209 448 A C 1.367 178.887 177.584 -0.106 0.000 1.171 448 A CA 1.401 53.368 52.037 -0.117 0.000 0.768 448 A CB -0.356 18.573 19.000 -0.119 0.000 0.790 448 A HN 0.419 nan 8.150 nan 0.000 0.478 449 T N -5.220 109.269 114.554 -0.107 0.000 3.460 449 T HA 0.442 4.107 4.350 -1.141 0.000 0.304 449 T C 0.838 175.494 174.700 -0.073 0.000 0.991 449 T CA 0.549 62.592 62.100 -0.095 0.000 0.975 449 T CB -0.262 68.535 68.868 -0.117 0.000 1.196 449 T HN 1.554 nan 8.240 nan 0.000 0.490 450 G N 1.716 110.477 108.800 -0.065 0.000 2.371 450 G HA2 -0.186 3.090 3.960 -1.141 0.000 0.299 450 G HA3 -0.186 3.090 3.960 -1.141 0.000 0.299 450 G C -0.287 174.589 174.900 -0.040 0.000 1.014 450 G CA 0.467 45.538 45.100 -0.049 0.000 1.097 450 G HN 0.717 nan 8.290 nan 0.000 0.512 451 L N -1.596 119.604 121.223 -0.039 0.000 2.376 451 L HA 0.669 4.325 4.340 -1.141 0.000 0.258 451 L C 0.416 177.283 176.870 -0.006 0.000 1.013 451 L CA -1.356 53.469 54.840 -0.024 0.000 0.822 451 L CB 2.042 44.083 42.059 -0.030 0.000 1.388 451 L HN 0.166 nan 8.230 nan 0.000 0.413 452 R N 1.498 122.005 120.500 0.011 0.000 2.346 452 R HA 0.410 4.066 4.340 -1.141 0.000 0.311 452 R C -2.491 173.837 176.300 0.047 0.000 0.983 452 R CA -1.636 54.481 56.100 0.029 0.000 0.880 452 R CB 0.996 31.314 30.300 0.031 0.000 1.100 452 R HN 0.207 nan 8.270 nan 0.000 0.453 453 P HA -0.065 nan 4.420 nan 0.000 0.265 453 P C -0.181 177.171 177.300 0.086 0.000 1.187 453 P CA 0.389 63.539 63.100 0.084 0.000 0.766 453 P CB 0.965 32.718 31.700 0.089 0.000 0.820 454 G N 2.353 111.216 108.800 0.105 0.000 3.110 454 G HA2 0.229 3.504 3.960 -1.141 0.000 0.207 454 G HA3 0.229 3.504 3.960 -1.141 0.000 0.207 454 G C -0.516 174.448 174.900 0.106 0.000 1.841 454 G CA -0.109 45.052 45.100 0.102 0.000 0.751 454 G HN 0.456 nan 8.290 nan 0.000 0.771 455 E N -0.884 119.387 120.200 0.118 0.000 2.249 455 E HA 0.572 4.237 4.350 -1.141 0.000 0.263 455 E C -1.637 175.038 176.600 0.126 0.000 0.950 455 E CA -0.737 55.730 56.400 0.112 0.000 0.827 455 E CB 2.765 32.514 29.700 0.082 0.000 1.220 455 E HN 0.188 nan 8.360 nan 0.000 0.411 456 L N 1.783 123.097 121.223 0.152 0.000 2.349 456 L HA 0.384 4.040 4.340 -1.141 0.000 0.278 456 L C -1.578 175.403 176.870 0.186 0.000 0.996 456 L CA -0.654 54.284 54.840 0.162 0.000 0.825 456 L CB 1.611 43.785 42.059 0.192 0.000 1.243 456 L HN 0.260 nan 8.230 nan 0.000 0.412 457 V N 5.023 124.995 119.914 0.097 0.000 2.398 457 V HA 0.371 3.806 4.120 -1.141 0.000 0.286 457 V C -0.535 175.629 176.094 0.116 0.000 1.026 457 V CA -0.503 61.847 62.300 0.083 0.000 0.868 457 V CB 1.325 33.147 31.823 -0.002 0.000 0.982 457 V HN 0.814 nan 8.190 nan 0.000 0.443 458 H N 2.814 121.922 119.070 0.062 0.000 2.551 458 H HA 0.470 4.342 4.556 -1.141 0.000 0.321 458 H C -0.591 174.708 175.328 -0.048 0.000 1.028 458 H CA -0.515 55.546 56.048 0.021 0.000 1.215 458 H CB 1.117 30.972 29.762 0.156 0.000 1.414 458 H HN 0.657 nan 8.280 nan 0.000 0.480 459 T N 7.004 121.631 114.554 0.122 0.000 2.758 459 T HA 0.216 3.882 4.350 -1.141 0.000 0.285 459 T C -0.290 174.256 174.700 -0.256 0.000 0.981 459 T CA -0.807 61.229 62.100 -0.107 0.000 0.965 459 T CB 0.416 69.217 68.868 -0.112 0.000 0.927 459 T HN 0.322 nan 8.240 nan 0.000 0.448 460 L N 2.909 123.936 121.223 -0.326 0.000 2.325 460 L HA 0.539 4.194 4.340 -1.141 0.000 0.279 460 L C 1.273 177.913 176.870 -0.384 0.000 1.054 460 L CA -0.057 54.578 54.840 -0.342 0.000 0.804 460 L CB 0.903 42.782 42.059 -0.300 0.000 1.200 460 L HN 0.812 nan 8.230 nan 0.000 0.436 461 G N 1.549 110.155 108.800 -0.324 0.000 2.680 461 G HA2 -0.055 3.221 3.960 -1.141 0.000 0.224 461 G HA3 -0.055 3.221 3.960 -1.141 0.000 0.224 461 G C -0.203 174.748 174.900 0.086 0.000 1.454 461 G CA 0.169 45.136 45.100 -0.222 0.000 0.900 461 G HN 0.570 nan 8.290 nan 0.000 0.570 462 D N 1.436 121.978 120.400 0.237 0.000 2.467 462 D HA 0.545 4.500 4.640 -1.141 0.000 0.220 462 D C -0.214 176.223 176.300 0.228 0.000 1.103 462 D CA -0.454 53.729 54.000 0.305 0.000 0.886 462 D CB 0.689 41.638 40.800 0.249 0.000 1.025 462 D HN 0.277 nan 8.370 nan 0.000 0.514 463 A N 5.217 128.109 122.820 0.119 0.000 2.252 463 A HA 0.533 4.168 4.320 -1.141 0.000 0.309 463 A C -0.106 177.482 177.584 0.007 0.000 1.285 463 A CA -0.604 51.422 52.037 -0.018 0.000 0.900 463 A CB 0.297 19.249 19.000 -0.081 0.000 1.157 463 A HN 0.720 nan 8.150 nan 0.000 0.536 464 H N -0.168 118.865 119.070 -0.062 0.000 2.824 464 H HA 0.830 4.697 4.556 -1.148 0.000 0.345 464 H C -1.508 173.750 175.328 -0.117 0.000 1.252 464 H CA -1.537 54.438 56.048 -0.122 0.000 1.246 464 H CB 1.344 30.973 29.762 -0.222 0.000 1.908 464 H HN 0.330 nan 8.280 nan 0.000 0.601 465 V N 1.289 121.181 119.914 -0.036 0.000 2.655 465 V HA 0.132 3.567 4.120 -1.141 0.000 0.301 465 V C -1.055 175.004 176.094 -0.059 0.000 1.082 465 V CA -0.806 61.492 62.300 -0.003 0.000 0.899 465 V CB 1.297 33.131 31.823 0.018 0.000 1.014 465 V HN 0.623 nan 8.190 nan 0.000 0.429 466 Y N 1.959 122.276 120.300 0.027 0.000 2.457 466 Y HA 0.056 3.927 4.550 -1.132 0.000 0.341 466 Y C 1.951 177.801 175.900 -0.084 0.000 1.240 466 Y CA 0.752 58.778 58.100 -0.123 0.000 1.437 466 Y CB 0.932 39.136 38.460 -0.427 0.000 1.328 466 Y HN 0.690 nan 8.280 nan 0.000 0.588 467 S N 0.812 116.542 115.700 0.051 0.000 2.402 467 S HA -0.176 3.610 4.470 -1.141 0.000 0.229 467 S C 1.509 176.152 174.600 0.071 0.000 1.021 467 S CA 1.138 59.366 58.200 0.046 0.000 0.974 467 S CB -0.184 63.034 63.200 0.030 0.000 0.800 467 S HN 0.696 nan 8.310 nan 0.000 0.484 468 N N 1.244 119.974 118.700 0.050 0.000 2.309 468 N HA -0.084 3.972 4.740 -1.141 0.000 0.182 468 N C 1.066 176.685 175.510 0.182 0.000 1.018 468 N CA 0.998 54.084 53.050 0.060 0.000 0.876 468 N CB -0.304 38.168 38.487 -0.026 0.000 0.972 468 N HN 0.643 nan 8.380 nan 0.000 0.434 469 H N -0.214 118.924 119.070 0.113 0.000 2.553 469 H HA 0.157 4.028 4.556 -1.141 0.000 0.265 469 H C 1.879 177.248 175.328 0.068 0.000 0.964 469 H CA -0.351 55.755 56.048 0.096 0.000 1.156 469 H CB 0.653 30.500 29.762 0.142 0.000 1.411 469 H HN -0.064 nan 8.280 nan 0.000 0.558 470 V N 1.241 121.259 119.914 0.173 0.000 2.252 470 V HA -0.286 3.150 4.120 -1.141 0.000 0.249 470 V C 2.130 178.267 176.094 0.073 0.000 1.056 470 V CA 1.946 64.306 62.300 0.099 0.000 1.022 470 V CB -0.333 31.531 31.823 0.068 0.000 0.641 470 V HN 0.505 nan 8.190 nan 0.000 0.445 471 E N -0.073 120.169 120.200 0.070 0.000 2.051 471 E HA -0.155 3.510 4.350 -1.141 0.000 0.192 471 E C -0.055 176.571 176.600 0.043 0.000 0.991 471 E CA 1.696 58.125 56.400 0.049 0.000 0.799 471 E CB -1.046 28.681 29.700 0.045 0.000 0.748 471 E HN 0.571 nan 8.360 nan 0.000 0.449 472 P HA -0.121 nan 4.420 nan 0.000 0.216 472 P C 1.196 178.512 177.300 0.027 0.000 1.153 472 P CA 1.086 64.207 63.100 0.034 0.000 0.844 472 P CB -0.120 31.598 31.700 0.031 0.000 0.787 473 C N -0.193 119.132 119.300 0.042 0.000 2.485 473 C HA 0.078 3.854 4.460 -1.141 0.000 0.283 473 C C 2.384 177.383 174.990 0.014 0.000 1.478 473 C CA 0.527 59.564 59.018 0.032 0.000 1.741 473 C CB -2.369 25.400 27.740 0.049 0.000 1.675 473 C HN 0.278 nan 8.230 nan 0.000 0.573 474 N N -0.022 118.687 118.700 0.016 0.000 2.414 474 N HA -0.007 4.048 4.740 -1.141 0.000 0.177 474 N C 1.788 177.296 175.510 -0.003 0.000 1.062 474 N CA 0.586 53.639 53.050 0.004 0.000 0.890 474 N CB 0.060 38.554 38.487 0.011 0.000 1.070 474 N HN 0.470 nan 8.380 nan 0.000 0.454 475 E N 0.976 121.176 120.200 0.000 0.000 2.072 475 E HA -0.152 3.514 4.350 -1.141 0.000 0.190 475 E C 1.659 178.242 176.600 -0.028 0.000 0.982 475 E CA 0.591 56.986 56.400 -0.009 0.000 0.803 475 E CB -0.253 29.447 29.700 -0.001 0.000 0.755 475 E HN 0.474 nan 8.360 nan 0.000 0.453 476 Q N 0.722 120.511 119.800 -0.019 0.000 2.096 476 Q HA -0.142 3.513 4.340 -1.141 0.000 0.204 476 Q C 2.395 178.367 176.000 -0.046 0.000 0.982 476 Q CA 0.953 56.738 55.803 -0.030 0.000 0.850 476 Q CB -0.104 28.647 28.738 0.023 0.000 0.901 476 Q HN 0.243 nan 8.270 nan 0.000 0.422 477 L N 0.456 121.664 121.223 -0.025 0.000 2.081 477 L HA -0.278 3.377 4.340 -1.141 0.000 0.212 477 L C 2.416 179.257 176.870 -0.049 0.000 1.080 477 L CA 1.674 56.497 54.840 -0.027 0.000 0.754 477 L CB -0.530 41.514 42.059 -0.025 0.000 0.893 477 L HN 0.255 nan 8.230 nan 0.000 0.433 478 K N 0.076 120.442 120.400 -0.057 0.000 2.020 478 K HA -0.155 3.480 4.320 -1.141 0.000 0.212 478 K C 0.842 177.376 176.600 -0.110 0.000 1.050 478 K CA 0.936 57.184 56.287 -0.064 0.000 0.929 478 K CB -0.287 32.179 32.500 -0.056 0.000 0.714 478 K HN 0.275 nan 8.250 nan 0.000 0.443 479 R N 1.535 121.915 120.500 -0.200 0.000 2.537 479 R HA -0.010 3.645 4.340 -1.141 0.000 0.281 479 R C -0.535 175.605 176.300 -0.266 0.000 0.988 479 R CA -0.161 55.694 56.100 -0.408 0.000 1.077 479 R CB 0.342 30.204 30.300 -0.729 0.000 0.932 479 R HN -0.058 nan 8.270 nan 0.000 0.409 480 V N 7.103 126.905 119.914 -0.188 0.000 2.406 480 V HA 0.166 3.601 4.120 -1.141 0.000 0.272 480 V C -1.833 174.306 176.094 0.075 0.000 1.043 480 V CA -2.040 60.248 62.300 -0.020 0.000 0.915 480 V CB 1.357 33.208 31.823 0.046 0.000 0.988 480 V HN 0.656 nan 8.190 nan 0.000 0.466 481 P HA 0.150 nan 4.420 nan 0.000 0.266 481 P C -0.260 177.082 177.300 0.070 0.000 1.193 481 P CA 0.250 63.395 63.100 0.075 0.000 0.770 481 P CB 0.579 32.263 31.700 -0.028 0.000 0.836 482 R N 1.155 121.691 120.500 0.060 0.000 2.875 482 R HA 0.742 4.398 4.340 -1.141 0.000 0.251 482 R C -0.225 175.985 176.300 -0.149 0.000 1.123 482 R CA -1.124 54.967 56.100 -0.015 0.000 1.064 482 R CB 0.948 31.247 30.300 -0.002 0.000 1.205 482 R HN 0.448 nan 8.270 nan 0.000 0.503 483 A N 1.030 123.776 122.820 -0.123 0.000 2.445 483 A HA 0.252 3.888 4.320 -1.141 0.000 0.242 483 A C -0.582 176.936 177.584 -0.110 0.000 1.075 483 A CA 0.052 51.986 52.037 -0.171 0.000 0.777 483 A CB -0.052 18.907 19.000 -0.067 0.000 1.013 483 A HN 0.386 nan 8.150 nan 0.000 0.493 484 F N 2.495 122.377 119.950 -0.113 0.000 2.403 484 F HA 0.362 4.204 4.527 -1.142 0.000 0.320 484 F C -1.048 174.531 175.800 -0.368 0.000 1.176 484 F CA -1.711 56.174 58.000 -0.192 0.000 1.206 484 F CB 0.185 39.042 39.000 -0.238 0.000 1.235 484 F HN 0.430 nan 8.300 nan 0.000 0.565 485 P HA 0.245 nan 4.420 nan 0.000 0.323 485 P C -1.540 175.340 177.300 -0.699 0.000 1.309 485 P CA 0.054 62.989 63.100 -0.275 0.000 0.739 485 P CB 1.056 32.658 31.700 -0.163 0.000 1.454 486 Y N -2.570 117.641 120.300 -0.148 0.000 2.638 486 Y HA 0.572 4.438 4.550 -1.140 0.000 0.339 486 Y C -0.297 175.443 175.900 -0.268 0.000 1.084 486 Y CA -1.035 56.969 58.100 -0.160 0.000 1.068 486 Y CB 1.127 39.542 38.460 -0.074 0.000 1.294 486 Y HN 0.051 nan 8.280 nan 0.000 0.480 487 L N 2.778 123.944 121.223 -0.095 0.000 2.356 487 L HA 0.863 4.518 4.340 -1.141 0.000 0.277 487 L C -1.196 175.559 176.870 -0.190 0.000 0.996 487 L CA -0.805 53.880 54.840 -0.258 0.000 0.822 487 L CB 1.463 43.317 42.059 -0.342 0.000 1.256 487 L HN 0.471 nan 8.230 nan 0.000 0.413 488 V N 1.051 120.821 119.914 -0.239 0.000 2.823 488 V HA 0.624 4.059 4.120 -1.141 0.000 0.312 488 V C -0.727 175.216 176.094 -0.251 0.000 1.072 488 V CA -0.777 61.441 62.300 -0.138 0.000 0.937 488 V CB 1.687 33.493 31.823 -0.028 0.000 1.013 488 V HN 0.555 nan 8.190 nan 0.000 0.430 489 F N 3.097 123.085 119.950 0.064 0.000 2.405 489 F HA 0.598 4.440 4.527 -1.142 0.000 0.355 489 F C 1.541 177.387 175.800 0.078 0.000 1.121 489 F CA -0.629 57.428 58.000 0.094 0.000 1.112 489 F CB 1.952 41.025 39.000 0.121 0.000 1.126 489 F HN 0.751 nan 8.300 nan 0.000 0.481 490 R N 2.564 123.193 120.500 0.215 0.000 2.240 490 R HA 0.195 3.851 4.340 -1.141 0.000 0.203 490 R C -0.028 176.356 176.300 0.140 0.000 1.011 490 R CA 0.366 56.548 56.100 0.137 0.000 1.007 490 R CB 0.218 30.571 30.300 0.088 0.000 0.911 490 R HN 0.716 nan 8.270 nan 0.000 0.468 491 R N -0.855 119.764 120.500 0.198 0.000 2.733 491 R HA 0.407 4.062 4.340 -1.141 0.000 0.272 491 R C -1.360 175.018 176.300 0.130 0.000 1.029 491 R CA -1.071 55.102 56.100 0.121 0.000 0.888 491 R CB 1.069 31.402 30.300 0.055 0.000 1.251 491 R HN -0.157 nan 8.270 nan 0.000 0.464 492 E N 0.613 120.816 120.200 0.005 0.000 2.370 492 E HA 0.571 4.237 4.350 -1.141 0.000 0.259 492 E C -0.631 175.776 176.600 -0.323 0.000 0.947 492 E CA -1.116 55.239 56.400 -0.075 0.000 0.809 492 E CB 1.497 31.198 29.700 0.001 0.000 1.300 492 E HN 0.413 nan 8.360 nan 0.000 0.419 493 R N 0.354 120.574 120.500 -0.465 0.000 2.888 493 R HA 0.302 3.958 4.340 -1.141 0.000 0.264 493 R C 0.820 177.010 176.300 -0.184 0.000 1.045 493 R CA -0.665 55.187 56.100 -0.414 0.000 0.962 493 R CB 0.816 30.672 30.300 -0.741 0.000 1.210 493 R HN 0.621 nan 8.270 nan 0.000 0.479 494 E N 0.181 120.300 120.200 -0.135 0.000 2.076 494 E HA 0.047 3.713 4.350 -1.141 0.000 0.190 494 E C -0.429 175.854 176.600 -0.527 0.000 0.979 494 E CA 1.114 57.334 56.400 -0.300 0.000 0.807 494 E CB 0.282 29.856 29.700 -0.211 0.000 0.761 494 E HN 0.254 nan 8.360 nan 0.000 0.454 495 F N -0.460 119.490 119.950 0.000 0.000 2.563 495 F HA 0.235 4.077 4.527 -1.141 0.000 0.316 495 F C 0.796 176.674 175.800 0.130 0.000 1.076 495 F CA -0.758 57.272 58.000 0.051 0.000 0.921 495 F CB 1.038 40.064 39.000 0.044 0.000 1.209 495 F HN -0.172 nan 8.300 nan 0.000 0.462 496 L N 0.858 122.278 121.223 0.328 0.000 2.043 496 L HA -0.230 3.425 4.340 -1.141 0.000 0.212 496 L C 1.634 178.705 176.870 0.336 0.000 1.075 496 L CA 1.849 56.875 54.840 0.311 0.000 0.752 496 L CB -0.029 42.111 42.059 0.136 0.000 0.891 496 L HN 0.714 nan 8.230 nan 0.000 0.432 497 E N -0.237 120.116 120.200 0.255 0.000 2.409 497 E HA -0.184 3.481 4.350 -1.141 0.000 0.198 497 E C 1.521 178.227 176.600 0.176 0.000 1.024 497 E CA 0.867 57.378 56.400 0.185 0.000 0.861 497 E CB -0.151 29.620 29.700 0.118 0.000 0.788 497 E HN 0.495 nan 8.360 nan 0.000 0.521 498 D N -0.481 120.032 120.400 0.188 0.000 2.277 498 D HA -0.079 3.876 4.640 -1.141 0.000 0.208 498 D C -0.195 176.117 176.300 0.019 0.000 0.962 498 D CA 0.426 54.472 54.000 0.077 0.000 0.865 498 D CB -0.117 40.706 40.800 0.037 0.000 0.939 498 D HN 0.216 nan 8.370 nan 0.000 0.510 499 Y N 1.931 122.280 120.300 0.080 0.000 2.717 499 Y HA 0.027 3.893 4.550 -1.140 0.000 0.330 499 Y C 1.241 177.189 175.900 0.079 0.000 1.217 499 Y CA 0.447 58.598 58.100 0.085 0.000 1.506 499 Y CB 0.307 38.825 38.460 0.095 0.000 1.268 499 Y HN -0.157 nan 8.280 nan 0.000 0.561 500 E N 1.617 121.926 120.200 0.181 0.000 2.249 500 E HA 0.091 3.757 4.350 -1.141 0.000 0.263 500 E C 0.634 177.315 176.600 0.135 0.000 0.950 500 E CA -0.854 55.619 56.400 0.121 0.000 0.827 500 E CB 1.342 31.084 29.700 0.071 0.000 1.220 500 E HN 0.604 nan 8.360 nan 0.000 0.411 501 E N 1.551 121.790 120.200 0.065 0.000 2.209 501 E HA -0.149 3.517 4.350 -1.141 0.000 0.196 501 E C 1.471 178.124 176.600 0.088 0.000 0.993 501 E CA 1.320 57.742 56.400 0.037 0.000 0.819 501 E CB -0.180 29.491 29.700 -0.049 0.000 0.745 501 E HN 0.780 nan 8.360 nan 0.000 0.477 502 G N 0.435 109.287 108.800 0.087 0.000 2.650 502 G HA2 -0.155 3.121 3.960 -1.141 0.000 0.214 502 G HA3 -0.155 3.121 3.960 -1.141 0.000 0.214 502 G C 0.953 175.924 174.900 0.118 0.000 1.136 502 G CA 0.341 45.495 45.100 0.090 0.000 0.789 502 G HN 0.184 nan 8.290 nan 0.000 0.536 503 D N 0.436 120.939 120.400 0.172 0.000 2.378 503 D HA 0.057 4.012 4.640 -1.141 0.000 0.227 503 D C 1.335 177.812 176.300 0.294 0.000 1.012 503 D CA 0.534 54.680 54.000 0.242 0.000 0.905 503 D CB -0.000 40.999 40.800 0.332 0.000 0.895 503 D HN 0.549 nan 8.370 nan 0.000 0.532 504 M N -1.806 117.896 119.600 0.170 0.000 2.618 504 M HA 0.602 4.397 4.480 -1.141 0.000 0.281 504 M C -1.229 175.067 176.300 -0.006 0.000 1.267 504 M CA -0.889 54.395 55.300 -0.027 0.000 0.845 504 M CB 3.376 35.811 32.600 -0.275 0.000 1.732 504 M HN -0.328 nan 8.290 nan 0.000 0.461 505 E N 0.971 121.112 120.200 -0.098 0.000 2.335 505 E HA 0.526 4.191 4.350 -1.141 0.000 0.280 505 E C -1.968 174.523 176.600 -0.181 0.000 0.918 505 E CA -0.794 55.566 56.400 -0.067 0.000 0.765 505 E CB 3.085 32.775 29.700 -0.017 0.000 1.218 505 E HN 0.669 nan 8.360 nan 0.000 0.425 506 V N 5.548 125.305 119.914 -0.263 0.000 2.461 506 V HA 0.318 3.754 4.120 -1.141 0.000 0.275 506 V C 0.447 176.453 176.094 -0.146 0.000 1.047 506 V CA -0.155 61.921 62.300 -0.373 0.000 0.955 506 V CB 0.316 31.730 31.823 -0.682 0.000 0.988 506 V HN 0.485 nan 8.190 nan 0.000 0.471 507 I N 0.613 121.142 120.570 -0.068 0.000 2.693 507 I HA 0.662 4.148 4.170 -1.141 0.000 0.303 507 I C -0.233 175.951 176.117 0.113 0.000 1.025 507 I CA -0.839 60.479 61.300 0.029 0.000 1.086 507 I CB 2.001 40.022 38.000 0.035 0.000 1.268 507 I HN 0.543 nan 8.210 nan 0.000 0.440 508 D N 2.165 122.634 120.400 0.115 0.000 2.699 508 D HA -0.288 3.667 4.640 -1.141 0.000 0.239 508 D C -0.978 175.433 176.300 0.186 0.000 1.136 508 D CA 1.124 55.213 54.000 0.149 0.000 0.668 508 D CB -1.266 39.671 40.800 0.228 0.000 1.060 508 D HN 0.768 nan 8.370 nan 0.000 0.429 509 Y N -0.263 120.030 120.300 -0.012 0.000 2.353 509 Y HA 0.436 4.302 4.550 -1.141 0.000 0.340 509 Y C -0.046 175.847 175.900 -0.012 0.000 0.972 509 Y CA -0.826 57.255 58.100 -0.032 0.000 1.157 509 Y CB 0.936 39.349 38.460 -0.078 0.000 1.157 509 Y HN 0.108 nan 8.280 nan 0.000 0.495 510 A N 9.123 131.931 122.820 -0.019 0.000 3.165 510 A HA 0.373 4.008 4.320 -1.141 0.000 0.331 510 A C -2.803 174.619 177.584 -0.269 0.000 1.034 510 A CA -1.595 50.344 52.037 -0.163 0.000 0.906 510 A CB -0.413 18.547 19.000 -0.068 0.000 1.054 510 A HN 0.573 nan 8.150 nan 0.000 0.484 511 P HA 0.084 nan 4.420 nan 0.000 0.271 511 P C -0.705 176.510 177.300 -0.142 0.000 1.216 511 P CA 0.236 63.150 63.100 -0.310 0.000 0.776 511 P CB 0.552 31.930 31.700 -0.538 0.000 0.881 512 Y N 3.214 123.480 120.300 -0.058 0.000 2.480 512 Y HA 0.084 3.950 4.550 -1.140 0.000 0.338 512 Y C -0.829 175.055 175.900 -0.026 0.000 1.220 512 Y CA -1.228 56.859 58.100 -0.021 0.000 1.430 512 Y CB -0.726 37.739 38.460 0.008 0.000 1.311 512 Y HN 0.385 nan 8.280 nan 0.000 0.575 513 P HA -0.017 nan 4.420 nan 0.000 0.267 513 P C -2.524 174.821 177.300 0.076 0.000 1.201 513 P CA -0.866 62.279 63.100 0.075 0.000 0.775 513 P CB -0.011 31.731 31.700 0.069 0.000 0.854 514 P HA 0.058 nan 4.420 nan 0.000 0.267 514 P C 0.234 177.557 177.300 0.037 0.000 1.201 514 P CA 0.409 63.531 63.100 0.036 0.000 0.775 514 P CB 0.170 31.883 31.700 0.021 0.000 0.854 515 I N 0.794 121.381 120.570 0.029 0.000 2.692 515 I HA -0.045 3.440 4.170 -1.141 0.000 0.284 515 I C 1.259 177.388 176.117 0.021 0.000 1.159 515 I CA 0.425 61.740 61.300 0.024 0.000 1.423 515 I CB 0.417 38.426 38.000 0.015 0.000 1.380 515 I HN 0.280 nan 8.210 nan 0.000 0.580 516 S N 7.912 123.625 115.700 0.022 0.000 3.811 516 S HA 0.411 4.196 4.470 -1.141 0.000 0.205 516 S C -0.243 174.369 174.600 0.019 0.000 1.445 516 S CA -0.307 57.906 58.200 0.020 0.000 1.097 516 S CB -0.729 62.484 63.200 0.022 0.000 1.350 516 S HN 0.460 nan 8.310 nan 0.000 0.471 517 M N 2.047 121.658 119.600 0.018 0.000 2.307 517 M HA 0.293 4.089 4.480 -1.141 0.000 0.279 517 M C -0.746 175.565 176.300 0.019 0.000 1.080 517 M CA -0.702 54.610 55.300 0.020 0.000 0.964 517 M CB 2.210 34.825 32.600 0.025 0.000 1.825 517 M HN 0.088 nan 8.290 nan 0.000 0.489 518 K N 0.000 120.411 120.400 0.018 0.000 2.780 518 K HA 0.000 3.635 4.320 -1.141 0.000 0.191 518 K CA 0.000 56.297 56.287 0.016 0.000 0.838 518 K CB 0.000 32.507 32.500 0.012 0.000 1.064 518 K HN 0.000 nan 8.250 nan 0.000 0.543