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 2xqr_1_G DATA FIRST_RESID 5 DATA SEQUENCE NQPYRTGFHF QPPKNWMNDP NGPMIYKGIY HLFYQWNPKG AVWGNIVWAH DATA SEQUENCE STSTDLINWD PHPPAIFPSA PFDINGCWSG SATILPNGKP VILYTGIDPK DATA SEQUENCE NQQVQNIAEP KNLSDPYLRE WKKSPLNPLM APDAVNGINA SSFRDPTTAW DATA SEQUENCE LGQDKKWRVI IGSKIHRRGL AITYTSKDFL KWEKSPEPLH YDDGSGMWEC DATA SEQUENCE PDFFPVTRFG SNGVETSSFG EPNEILKHVL KISLDDTKHD YYTIGTYDRV DATA SEQUENCE KDKFVPDNGF KMDGTAPRYD YGKYYASKTF FDSAKNRRIL WGWTNESSSV DATA SEQUENCE EDDVEKGWSG IQTIPRKIWL DRSGKQLIQW PVREVERLRT KQVKNLRNKV DATA SEQUENCE LKSGSRLEVY GVTAAQADVE VLFKVRDLEK ADVIEPSWTD PQLIcSKMNV DATA SEQUENCE SVKSGLGPFG LMVLASKNLE EYTSVYFRIF KARQNSNKYV VLMcSDQSRS DATA SEQUENCE SLKEDNDKTT YGAFVDINPH QPLSLRALID HSVVESFGGK GRACITSRVY DATA SEQUENCE PKLAIGKSSH LFAFNYGYQS VDVLNLNAWS MNSAQIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.500 175.510 -0.017 0.000 1.280 5 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 5 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 6 Q N 1.137 120.919 119.800 -0.030 0.000 2.773 6 Q HA 0.397 4.742 4.340 0.008 0.000 0.373 6 Q C -2.024 173.924 176.000 -0.086 0.000 0.940 6 Q CA -1.380 54.431 55.803 0.014 0.000 1.015 6 Q CB 1.549 30.321 28.738 0.057 0.000 1.349 6 Q HN 0.510 nan 8.270 nan 0.000 0.413 7 P HA -0.130 nan 4.420 nan 0.000 0.222 7 P C 0.410 177.569 177.300 -0.235 0.000 1.147 7 P CA 1.223 64.122 63.100 -0.335 0.000 0.790 7 P CB 0.215 31.582 31.700 -0.554 0.000 0.780 8 Y N -0.555 119.863 120.300 0.195 0.000 2.462 8 Y HA 0.239 4.796 4.550 0.011 0.000 0.261 8 Y C 1.446 177.539 175.900 0.321 0.000 1.146 8 Y CA -0.793 57.486 58.100 0.299 0.000 1.283 8 Y CB -0.556 38.174 38.460 0.451 0.000 1.090 8 Y HN -0.200 nan 8.280 nan 0.000 0.526 9 R N 1.353 121.998 120.500 0.242 0.000 2.489 9 R HA 0.136 4.481 4.340 0.008 0.000 0.287 9 R C 0.745 176.906 176.300 -0.232 0.000 1.053 9 R CA 0.233 56.211 56.100 -0.203 0.000 1.036 9 R CB 0.356 30.428 30.300 -0.379 0.000 0.966 9 R HN 0.191 nan 8.270 nan 0.000 0.432 10 T N -0.758 113.659 114.554 -0.227 0.000 2.868 10 T HA 0.176 4.531 4.350 0.008 0.000 0.292 10 T C 1.289 175.936 174.700 -0.088 0.000 1.028 10 T CA -0.383 61.648 62.100 -0.116 0.000 1.059 10 T CB 1.628 70.393 68.868 -0.171 0.000 0.991 10 T HN 0.626 nan 8.240 nan 0.000 0.531 11 G N -0.055 108.786 108.800 0.068 0.000 2.595 11 G HA2 0.210 4.175 3.960 0.008 0.000 0.213 11 G HA3 0.210 4.175 3.960 0.008 0.000 0.213 11 G C 0.649 175.687 174.900 0.231 0.000 1.141 11 G CA 0.151 45.351 45.100 0.166 0.000 0.806 11 G HN 0.890 nan 8.290 nan 0.000 0.530 12 F N -1.541 118.504 119.950 0.158 0.000 2.915 12 F HA 0.525 5.054 4.527 0.004 0.000 0.347 12 F C 0.202 176.060 175.800 0.096 0.000 1.104 12 F CA -1.290 56.772 58.000 0.104 0.000 1.126 12 F CB -0.125 38.904 39.000 0.048 0.000 1.145 12 F HN -0.131 nan 8.300 nan 0.000 0.541 13 H N 1.198 120.133 119.070 -0.224 0.000 2.547 13 H HA 0.304 4.863 4.556 0.006 0.000 0.362 13 H C -0.852 174.489 175.328 0.021 0.000 1.181 13 H CA -0.527 55.483 56.048 -0.063 0.000 1.376 13 H CB 0.672 30.339 29.762 -0.159 0.000 1.488 13 H HN 0.192 nan 8.280 nan 0.000 0.583 14 F N 3.002 122.991 119.950 0.065 0.000 2.472 14 F HA 0.204 4.736 4.527 0.009 0.000 0.364 14 F C -0.139 175.532 175.800 -0.215 0.000 1.090 14 F CA -0.052 57.873 58.000 -0.126 0.000 1.188 14 F CB 0.017 38.863 39.000 -0.257 0.000 1.105 14 F HN 0.553 nan 8.300 nan 0.000 0.536 15 Q N 6.941 126.143 119.800 -0.997 0.000 2.527 15 Q HA 0.519 4.863 4.340 0.008 0.000 0.280 15 Q C -3.211 172.224 176.000 -0.940 0.000 0.977 15 Q CA -2.159 53.137 55.803 -0.844 0.000 0.837 15 Q CB 2.158 30.613 28.738 -0.471 0.000 1.454 15 Q HN 0.295 nan 8.270 nan 0.000 0.387 16 P HA 0.234 nan 4.420 nan 0.000 0.274 16 P C -2.091 175.024 177.300 -0.309 0.000 1.246 16 P CA -1.275 61.538 63.100 -0.479 0.000 0.795 16 P CB 0.322 31.869 31.700 -0.254 0.000 1.006 17 P HA -0.128 nan 4.420 nan 0.000 0.217 17 P C 0.219 177.490 177.300 -0.049 0.000 1.148 17 P CA 2.036 65.047 63.100 -0.148 0.000 0.828 17 P CB 0.051 31.699 31.700 -0.088 0.000 0.783 18 K N -4.469 116.001 120.400 0.116 0.000 2.556 18 K HA 0.429 4.753 4.320 0.008 0.000 0.289 18 K C -0.853 176.020 176.600 0.456 0.000 1.040 18 K CA -1.001 55.446 56.287 0.266 0.000 0.894 18 K CB 0.838 33.482 32.500 0.240 0.000 1.547 18 K HN -0.322 nan 8.250 nan 0.000 0.417 19 N N -1.088 117.861 118.700 0.415 0.000 6.874 19 N HA -0.214 4.531 4.740 0.008 0.000 0.421 19 N C -1.419 174.343 175.510 0.420 0.000 0.945 19 N CA 0.734 53.985 53.050 0.335 0.000 1.414 19 N CB -0.496 38.067 38.487 0.127 0.000 0.811 19 N HN 0.742 nan 8.380 nan 0.000 0.316 20 W N 2.229 123.590 121.300 0.101 0.000 2.238 20 W HA 0.534 5.200 4.660 0.009 0.000 0.321 20 W C -0.344 176.319 176.519 0.239 0.000 1.293 20 W CA -0.260 57.172 57.345 0.145 0.000 1.204 20 W CB 0.255 29.737 29.460 0.038 0.000 1.167 20 W HN 0.566 nan 8.180 nan 0.000 0.553 21 M N 8.213 127.622 119.600 -0.319 0.000 2.393 21 M HA 0.211 4.696 4.480 0.008 0.000 0.299 21 M C -0.402 175.345 176.300 -0.921 0.000 1.103 21 M CA -0.458 54.694 55.300 -0.247 0.000 0.910 21 M CB 1.489 34.113 32.600 0.040 0.000 1.659 21 M HN 0.631 nan 8.290 nan 0.000 0.445 22 N N 1.981 120.200 118.700 -0.802 0.000 2.129 22 N HA 0.272 5.017 4.740 0.008 0.000 0.125 22 N C -1.025 173.842 175.510 -1.071 0.000 1.571 22 N CA -0.302 51.704 53.050 -1.740 0.000 1.136 22 N CB -0.476 36.970 38.487 -1.735 0.000 1.205 22 N HN 0.526 nan 8.380 nan 0.000 0.298 23 D N 2.902 122.890 120.400 -0.686 0.000 2.548 23 D HA 0.150 4.795 4.640 0.008 0.000 0.231 23 D C -2.062 174.107 176.300 -0.218 0.000 1.142 23 D CA -0.178 53.659 54.000 -0.271 0.000 0.866 23 D CB -0.001 40.706 40.800 -0.156 0.000 1.190 23 D HN 0.308 nan 8.370 nan 0.000 0.469 24 P HA 0.153 nan 4.420 nan 0.000 0.279 24 P C -0.946 176.176 177.300 -0.297 0.000 1.239 24 P CA -0.354 62.594 63.100 -0.253 0.000 0.789 24 P CB 0.789 32.366 31.700 -0.204 0.000 0.933 25 N N 0.325 118.756 118.700 -0.448 0.000 2.240 25 N HA 0.460 5.205 4.740 0.008 0.000 0.302 25 N C 0.136 175.453 175.510 -0.321 0.000 1.106 25 N CA -0.846 51.823 53.050 -0.635 0.000 0.778 25 N CB 1.279 38.739 38.487 -1.711 0.000 1.431 25 N HN 0.551 nan 8.380 nan 0.000 0.479 26 G N 1.958 110.702 108.800 -0.093 0.000 2.421 26 G HA2 -0.202 3.763 3.960 0.008 0.000 0.300 26 G HA3 -0.202 3.763 3.960 0.008 0.000 0.300 26 G C -2.428 172.605 174.900 0.222 0.000 0.974 26 G CA -0.507 44.702 45.100 0.181 0.000 1.062 26 G HN 0.430 nan 8.290 nan 0.000 0.514 27 P HA 0.367 nan 4.420 nan 0.000 0.267 27 P C 0.328 177.487 177.300 -0.235 0.000 1.205 27 P CA 0.331 63.327 63.100 -0.174 0.000 0.765 27 P CB 0.909 32.567 31.700 -0.070 0.000 0.828 28 M N 2.202 121.592 119.600 -0.349 0.000 2.773 28 M HA 0.627 5.111 4.480 0.008 0.000 0.270 28 M C -1.789 174.584 176.300 0.123 0.000 1.238 28 M CA -1.299 53.977 55.300 -0.041 0.000 0.832 28 M CB 1.880 34.621 32.600 0.235 0.000 1.672 28 M HN 0.071 nan 8.290 nan 0.000 0.480 29 I N 1.543 122.338 120.570 0.376 0.000 2.509 29 I HA 0.781 4.956 4.170 0.008 0.000 0.293 29 I C -2.201 174.139 176.117 0.372 0.000 1.020 29 I CA -0.482 61.013 61.300 0.324 0.000 1.088 29 I CB 1.999 40.161 38.000 0.269 0.000 1.267 29 I HN 0.699 nan 8.210 nan 0.000 0.430 30 Y N 6.338 126.733 120.300 0.159 0.000 2.442 30 Y HA 0.352 4.907 4.550 0.008 0.000 0.330 30 Y C -0.118 175.818 175.900 0.059 0.000 1.100 30 Y CA -1.206 56.971 58.100 0.128 0.000 1.034 30 Y CB 1.412 39.969 38.460 0.161 0.000 1.285 30 Y HN 0.697 nan 8.280 nan 0.000 0.440 31 K N 4.503 124.541 120.400 -0.604 0.000 3.078 31 K HA -0.245 4.080 4.320 0.008 0.000 0.261 31 K C 0.906 177.351 176.600 -0.259 0.000 0.947 31 K CA 1.253 57.247 56.287 -0.489 0.000 0.702 31 K CB -1.588 30.538 32.500 -0.622 0.000 1.318 31 K HN 1.479 nan 8.250 nan 0.000 0.473 32 G N -0.313 108.362 108.800 -0.209 0.000 2.168 32 G HA2 -0.313 3.652 3.960 0.008 0.000 0.263 32 G HA3 -0.313 3.652 3.960 0.008 0.000 0.263 32 G C 0.198 174.929 174.900 -0.281 0.000 0.977 32 G CA 0.577 45.542 45.100 -0.225 0.000 0.659 32 G HN 0.448 nan 8.290 nan 0.000 0.533 33 I N 0.312 120.753 120.570 -0.214 0.000 2.404 33 I HA 0.466 4.640 4.170 0.008 0.000 0.293 33 I C 0.008 176.019 176.117 -0.176 0.000 0.992 33 I CA -1.327 59.860 61.300 -0.189 0.000 1.149 33 I CB 1.156 39.098 38.000 -0.096 0.000 1.315 33 I HN -0.001 nan 8.210 nan 0.000 0.446 34 Y N 4.768 125.051 120.300 -0.028 0.000 2.299 34 Y HA 0.341 4.895 4.550 0.008 0.000 0.326 34 Y C 0.374 176.248 175.900 -0.043 0.000 1.164 34 Y CA -0.118 58.014 58.100 0.052 0.000 1.234 34 Y CB 0.563 39.074 38.460 0.084 0.000 1.219 34 Y HN 0.393 nan 8.280 nan 0.000 0.497 35 H N 3.440 122.696 119.070 0.311 0.000 2.538 35 H HA 0.419 4.981 4.556 0.009 0.000 0.353 35 H C -1.473 173.796 175.328 -0.097 0.000 1.109 35 H CA -0.882 55.269 56.048 0.172 0.000 1.192 35 H CB 2.581 32.408 29.762 0.109 0.000 1.555 35 H HN 0.433 nan 8.280 nan 0.000 0.518 36 L N 4.251 125.342 121.223 -0.219 0.000 2.372 36 L HA 0.378 4.723 4.340 0.008 0.000 0.273 36 L C -1.539 175.017 176.870 -0.522 0.000 0.989 36 L CA -0.404 54.020 54.840 -0.693 0.000 0.841 36 L CB 0.268 41.395 42.059 -1.553 0.000 1.225 36 L HN 0.312 nan 8.230 nan 0.000 0.414 37 F N 4.922 124.739 119.950 -0.222 0.000 2.378 37 F HA 0.679 5.212 4.527 0.010 0.000 0.325 37 F C -0.292 175.294 175.800 -0.356 0.000 1.097 37 F CA -0.207 57.653 58.000 -0.233 0.000 1.079 37 F CB 1.118 39.956 39.000 -0.271 0.000 1.240 37 F HN 0.497 nan 8.300 nan 0.000 0.519 38 Y N -1.760 118.369 120.300 -0.286 0.000 2.581 38 Y HA 0.423 4.978 4.550 0.009 0.000 0.337 38 Y C -1.236 174.513 175.900 -0.252 0.000 1.108 38 Y CA -1.830 56.059 58.100 -0.353 0.000 1.033 38 Y CB 0.614 38.929 38.460 -0.242 0.000 1.318 38 Y HN 0.392 nan 8.280 nan 0.000 0.459 39 Q N 1.866 121.570 119.800 -0.160 0.000 2.271 39 Q HA 0.064 4.409 4.340 0.008 0.000 0.273 39 Q C -1.554 174.572 176.000 0.209 0.000 1.051 39 Q CA 0.687 56.462 55.803 -0.047 0.000 0.901 39 Q CB 0.997 29.701 28.738 -0.055 0.000 1.174 39 Q HN 0.882 nan 8.270 nan 0.000 0.385 40 W N 3.867 125.157 121.300 -0.016 0.000 2.998 40 W HA 0.262 4.927 4.660 0.008 0.000 0.335 40 W C -0.912 175.651 176.519 0.074 0.000 1.110 40 W CA -0.912 56.479 57.345 0.077 0.000 1.230 40 W CB 1.238 30.664 29.460 -0.056 0.000 1.405 40 W HN 0.389 nan 8.180 nan 0.000 0.493 41 N N 6.307 124.779 118.700 -0.380 0.000 2.420 41 N HA 0.314 5.059 4.740 0.008 0.000 0.249 41 N C -1.897 172.886 175.510 -1.211 0.000 1.033 41 N CA -2.105 50.592 53.050 -0.589 0.000 0.944 41 N CB 2.090 40.366 38.487 -0.351 0.000 1.113 41 N HN 0.107 nan 8.380 nan 0.000 0.502 42 P HA -0.037 nan 4.420 nan 0.000 0.230 42 P C -0.315 176.618 177.300 -0.612 0.000 1.158 42 P CA 1.198 63.561 63.100 -1.228 0.000 0.769 42 P CB 0.105 31.489 31.700 -0.526 0.000 0.807 43 K N -1.887 118.255 120.400 -0.430 0.000 3.054 43 K HA 0.594 4.919 4.320 0.008 0.000 0.203 43 K C -0.082 176.413 176.600 -0.175 0.000 1.126 43 K CA -0.553 55.595 56.287 -0.230 0.000 1.023 43 K CB 0.418 32.816 32.500 -0.169 0.000 0.722 43 K HN -0.031 nan 8.250 nan 0.000 0.441 44 G N -0.266 108.428 108.800 -0.177 0.000 2.547 44 G HA2 0.477 4.442 3.960 0.008 0.000 0.291 44 G HA3 0.477 4.442 3.960 0.008 0.000 0.291 44 G C -1.052 173.850 174.900 0.003 0.000 1.471 44 G CA -0.417 44.627 45.100 -0.092 0.000 0.798 44 G HN 0.093 nan 8.290 nan 0.000 0.504 45 A N -0.531 122.326 122.820 0.062 0.000 2.507 45 A HA 0.622 4.947 4.320 0.008 0.000 0.270 45 A C 0.737 178.476 177.584 0.259 0.000 1.318 45 A CA 0.668 52.817 52.037 0.186 0.000 0.924 45 A CB -0.621 18.446 19.000 0.112 0.000 1.061 45 A HN 2.100 nan 8.150 nan 0.000 0.516 46 V N -5.858 114.102 119.914 0.077 0.000 3.141 46 V HA 0.748 4.873 4.120 0.008 0.000 0.312 46 V C -0.401 175.237 176.094 -0.761 0.000 1.157 46 V CA -1.702 60.493 62.300 -0.174 0.000 1.041 46 V CB 1.009 32.738 31.823 -0.155 0.000 1.071 46 V HN 0.420 nan 8.190 nan 0.000 0.441 47 W N 1.636 121.941 121.300 -1.659 0.000 2.210 47 W HA 0.612 5.276 4.660 0.008 0.000 0.330 47 W C 0.461 176.552 176.519 -0.713 0.000 1.334 47 W CA 1.886 58.256 57.345 -1.625 0.000 1.227 47 W CB 0.338 29.014 29.460 -1.307 0.000 1.178 47 W HN 1.382 nan 8.180 nan 0.000 0.560 48 G N 4.116 112.095 108.800 -1.367 0.000 2.339 48 G HA2 0.037 4.002 3.960 0.008 0.000 0.302 48 G HA3 0.037 4.002 3.960 0.008 0.000 0.302 48 G C -0.516 173.922 174.900 -0.770 0.000 1.425 48 G CA -0.579 43.889 45.100 -1.054 0.000 0.899 48 G HN 0.772 nan 8.290 nan 0.000 0.619 49 N N -1.501 116.888 118.700 -0.518 0.000 2.708 49 N HA -0.192 4.553 4.740 0.008 0.000 0.251 49 N C 0.143 175.496 175.510 -0.261 0.000 1.017 49 N CA 1.191 54.057 53.050 -0.306 0.000 0.742 49 N CB -0.792 37.535 38.487 -0.266 0.000 0.943 49 N HN 0.727 nan 8.380 nan 0.000 0.539 50 I N 0.630 121.036 120.570 -0.274 0.000 2.556 50 I HA 0.097 4.272 4.170 0.008 0.000 0.284 50 I C 0.764 176.939 176.117 0.096 0.000 1.114 50 I CA -0.266 60.947 61.300 -0.145 0.000 1.418 50 I CB 1.073 38.949 38.000 -0.206 0.000 1.394 50 I HN 0.142 nan 8.210 nan 0.000 0.552 51 V N 3.885 123.891 119.914 0.152 0.000 3.158 51 V HA 0.587 4.712 4.120 0.008 0.000 0.311 51 V C -1.471 174.834 176.094 0.352 0.000 1.181 51 V CA -0.959 61.510 62.300 0.282 0.000 1.054 51 V CB 1.661 33.648 31.823 0.273 0.000 1.085 51 V HN 0.635 nan 8.190 nan 0.000 0.446 52 W N 1.891 123.190 121.300 -0.002 0.000 2.367 52 W HA 0.809 5.474 4.660 0.009 0.000 0.329 52 W C 0.647 177.121 176.519 -0.075 0.000 1.066 52 W CA 0.019 57.311 57.345 -0.089 0.000 1.435 52 W CB 0.366 29.689 29.460 -0.230 0.000 1.296 52 W HN 0.988 nan 8.180 nan 0.000 0.401 53 A N 2.976 125.683 122.820 -0.188 0.000 2.327 53 A HA 0.421 4.746 4.320 0.008 0.000 0.255 53 A C -0.693 176.728 177.584 -0.271 0.000 1.099 53 A CA 0.040 51.789 52.037 -0.480 0.000 0.801 53 A CB 0.408 18.590 19.000 -1.364 0.000 1.062 53 A HN 0.723 nan 8.150 nan 0.000 0.496 54 H N -0.348 118.613 119.070 -0.181 0.000 3.042 54 H HA 0.502 5.063 4.556 0.009 0.000 0.345 54 H C -1.471 173.912 175.328 0.093 0.000 1.052 54 H CA -0.440 55.597 56.048 -0.019 0.000 1.311 54 H CB 1.386 31.250 29.762 0.171 0.000 1.810 54 H HN 0.640 nan 8.280 nan 0.000 0.505 55 S N 2.476 118.166 115.700 -0.016 0.000 2.599 55 S HA 0.455 4.930 4.470 0.008 0.000 0.287 55 S C -0.524 174.151 174.600 0.124 0.000 1.105 55 S CA -0.710 57.483 58.200 -0.011 0.000 0.899 55 S CB 2.117 65.429 63.200 0.186 0.000 1.100 55 S HN 0.737 nan 8.310 nan 0.000 0.482 56 T N -1.380 113.320 114.554 0.242 0.000 2.924 56 T HA 0.865 5.220 4.350 0.008 0.000 0.291 56 T C -0.486 174.287 174.700 0.122 0.000 1.045 56 T CA -0.810 61.435 62.100 0.242 0.000 1.015 56 T CB 1.754 70.748 68.868 0.211 0.000 1.103 56 T HN 0.532 nan 8.240 nan 0.000 0.496 57 S N -0.461 115.151 115.700 -0.147 0.000 2.570 57 S HA 0.600 5.075 4.470 0.008 0.000 0.270 57 S C 0.371 174.900 174.600 -0.119 0.000 1.149 57 S CA -0.080 57.852 58.200 -0.446 0.000 0.837 57 S CB 1.509 63.812 63.200 -1.494 0.000 1.124 57 S HN 1.241 nan 8.310 nan 0.000 0.465 58 T N -0.792 113.705 114.554 -0.095 0.000 3.044 58 T HA 0.294 4.649 4.350 0.008 0.000 0.260 58 T C 0.134 174.896 174.700 0.104 0.000 1.019 58 T CA 0.530 62.653 62.100 0.037 0.000 0.921 58 T CB -0.205 68.651 68.868 -0.020 0.000 1.053 58 T HN 0.631 nan 8.240 nan 0.000 0.533 59 D N 0.426 120.793 120.400 -0.055 0.000 2.497 59 D HA 0.160 4.804 4.640 0.008 0.000 0.256 59 D C 0.991 177.117 176.300 -0.291 0.000 1.273 59 D CA -0.473 53.454 54.000 -0.121 0.000 0.812 59 D CB -0.709 40.010 40.800 -0.136 0.000 1.190 59 D HN 0.327 nan 8.370 nan 0.000 0.524 60 L N -0.023 120.913 121.223 -0.479 0.000 4.429 60 L HA -0.245 4.099 4.340 0.008 0.000 0.422 60 L C 0.268 177.064 176.870 -0.123 0.000 1.149 60 L CA 0.459 55.079 54.840 -0.367 0.000 0.972 60 L CB -1.045 40.815 42.059 -0.331 0.000 2.059 60 L HN 0.238 nan 8.230 nan 0.000 0.870 61 I N -2.338 118.031 120.570 -0.334 0.000 3.990 61 I HA 0.171 4.346 4.170 0.008 0.000 0.275 61 I C 1.041 177.108 176.117 -0.084 0.000 1.157 61 I CA 0.649 61.921 61.300 -0.047 0.000 1.338 61 I CB -0.159 37.798 38.000 -0.070 0.000 1.588 61 I HN 0.128 nan 8.210 nan 0.000 0.441 62 N N 1.118 119.638 118.700 -0.300 0.000 2.434 62 N HA 0.223 4.968 4.740 0.008 0.000 0.272 62 N C -1.477 173.799 175.510 -0.390 0.000 1.040 62 N CA -0.046 52.890 53.050 -0.189 0.000 0.956 62 N CB 1.150 39.560 38.487 -0.128 0.000 1.108 62 N HN 0.062 nan 8.380 nan 0.000 0.481 63 W N 0.853 122.180 121.300 0.045 0.000 2.600 63 W HA 0.303 4.967 4.660 0.006 0.000 0.325 63 W C -0.454 176.025 176.519 -0.066 0.000 1.034 63 W CA -0.731 56.636 57.345 0.037 0.000 1.226 63 W CB 1.355 30.931 29.460 0.194 0.000 1.379 63 W HN 0.220 nan 8.180 nan 0.000 0.466 64 D N 4.741 125.178 120.400 0.063 0.000 2.198 64 D HA 0.260 4.905 4.640 0.008 0.000 0.245 64 D C -2.202 173.876 176.300 -0.370 0.000 1.079 64 D CA -1.314 52.580 54.000 -0.177 0.000 0.854 64 D CB 1.441 42.067 40.800 -0.291 0.000 1.148 64 D HN -0.066 nan 8.370 nan 0.000 0.456 65 P HA 0.227 nan 4.420 nan 0.000 0.279 65 P C -0.578 176.345 177.300 -0.629 0.000 1.252 65 P CA -0.152 62.726 63.100 -0.370 0.000 0.811 65 P CB 1.522 33.091 31.700 -0.218 0.000 1.035 66 H N -0.774 118.231 119.070 -0.109 0.000 2.941 66 H HA 0.480 5.041 4.556 0.009 0.000 0.344 66 H C -2.091 173.241 175.328 0.007 0.000 1.235 66 H CA -1.657 54.355 56.048 -0.061 0.000 1.149 66 H CB 0.291 30.002 29.762 -0.085 0.000 1.885 66 H HN 0.269 nan 8.280 nan 0.000 0.558 67 P HA 0.135 nan 4.420 nan 0.000 0.271 67 P C -2.495 174.940 177.300 0.224 0.000 1.244 67 P CA -1.139 62.058 63.100 0.162 0.000 0.793 67 P CB -0.513 31.286 31.700 0.166 0.000 0.984 68 P HA 0.000 nan 4.420 nan 0.000 0.264 68 P C 0.061 177.608 177.300 0.411 0.000 1.193 68 P CA 0.504 63.763 63.100 0.264 0.000 0.763 68 P CB 0.324 32.151 31.700 0.211 0.000 0.810 69 A N 4.463 127.505 122.820 0.370 0.000 1.887 69 A HA 0.136 4.461 4.320 0.008 0.000 0.212 69 A C 0.776 178.328 177.584 -0.053 0.000 1.198 69 A CA 1.048 53.222 52.037 0.229 0.000 0.628 69 A CB -0.231 18.817 19.000 0.080 0.000 0.847 69 A HN 0.527 nan 8.150 nan 0.000 0.449 70 I N 0.868 121.333 120.570 -0.176 0.000 2.468 70 I HA 0.478 4.653 4.170 0.008 0.000 0.284 70 I C -1.301 174.672 176.117 -0.241 0.000 1.038 70 I CA -0.607 60.339 61.300 -0.589 0.000 1.083 70 I CB 1.595 38.744 38.000 -1.417 0.000 1.223 70 I HN 0.376 nan 8.210 nan 0.000 0.443 71 F N 4.877 124.715 119.950 -0.187 0.000 2.645 71 F HA 0.721 5.253 4.527 0.008 0.000 0.310 71 F C -3.041 172.714 175.800 -0.075 0.000 1.102 71 F CA -3.325 54.631 58.000 -0.073 0.000 0.952 71 F CB 0.529 39.524 39.000 -0.008 0.000 1.326 71 F HN 0.066 nan 8.300 nan 0.000 0.456 72 P HA 0.115 nan 4.420 nan 0.000 0.258 72 P C 0.023 177.332 177.300 0.015 0.000 1.187 72 P CA 0.542 63.654 63.100 0.020 0.000 0.767 72 P CB 0.605 32.331 31.700 0.044 0.000 0.770 73 S N 1.970 117.569 115.700 -0.168 0.000 3.051 73 S HA 0.624 5.099 4.470 0.008 0.000 0.250 73 S C -0.047 174.395 174.600 -0.264 0.000 0.906 73 S CA -0.109 57.995 58.200 -0.159 0.000 1.234 73 S CB -0.010 63.057 63.200 -0.222 0.000 1.175 73 S HN 0.550 nan 8.310 nan 0.000 0.635 74 A N 1.263 123.828 122.820 -0.426 0.000 2.597 74 A HA 0.790 5.115 4.320 0.008 0.000 0.292 74 A C -2.772 174.427 177.584 -0.642 0.000 1.057 74 A CA -1.209 50.459 52.037 -0.616 0.000 0.674 74 A CB 0.068 18.407 19.000 -1.101 0.000 1.278 74 A HN -0.029 nan 8.150 nan 0.000 0.416 75 P HA -0.179 nan 4.420 nan 0.000 0.216 75 P C 1.224 178.375 177.300 -0.248 0.000 1.157 75 P CA 2.383 65.334 63.100 -0.249 0.000 0.880 75 P CB -0.285 31.355 31.700 -0.101 0.000 0.791 76 F N -0.226 119.679 119.950 -0.073 0.000 2.546 76 F HA 0.000 4.532 4.527 0.008 0.000 0.298 76 F C 0.498 176.227 175.800 -0.120 0.000 1.120 76 F CA 0.867 58.804 58.000 -0.105 0.000 1.456 76 F CB -1.297 37.628 39.000 -0.125 0.000 1.088 76 F HN 0.015 nan 8.300 nan 0.000 0.572 77 D N -1.128 119.143 120.400 -0.215 0.000 2.712 77 D HA 0.053 4.698 4.640 0.008 0.000 0.300 77 D C 1.088 177.313 176.300 -0.125 0.000 1.521 77 D CA -0.343 53.611 54.000 -0.077 0.000 0.790 77 D CB -1.244 39.619 40.800 0.106 0.000 1.155 77 D HN 0.225 nan 8.370 nan 0.000 0.456 78 I N 0.805 121.277 120.570 -0.164 0.000 2.454 78 I HA -0.050 4.124 4.170 0.008 0.000 0.254 78 I C 0.621 176.695 176.117 -0.071 0.000 1.156 78 I CA 1.145 62.370 61.300 -0.124 0.000 1.433 78 I CB -0.124 37.801 38.000 -0.124 0.000 1.082 78 I HN 0.017 nan 8.210 nan 0.000 0.432 79 N N 1.029 119.683 118.700 -0.076 0.000 2.238 79 N HA 0.361 5.106 4.740 0.008 0.000 0.222 79 N C 0.002 175.490 175.510 -0.037 0.000 1.133 79 N CA 0.736 53.752 53.050 -0.056 0.000 0.854 79 N CB 0.691 39.137 38.487 -0.068 0.000 1.041 79 N HN 0.357 nan 8.380 nan 0.000 0.510 80 G N -0.144 108.648 108.800 -0.013 0.000 2.397 80 G HA2 -0.048 3.917 3.960 0.008 0.000 0.453 80 G HA3 -0.048 3.917 3.960 0.008 0.000 0.453 80 G C -1.256 173.723 174.900 0.132 0.000 1.579 80 G CA -0.935 44.227 45.100 0.103 0.000 0.906 80 G HN 0.139 nan 8.290 nan 0.000 0.675 81 C N 2.896 122.390 119.300 0.323 0.000 2.184 81 C HA 0.619 5.084 4.460 0.008 0.000 0.328 81 C C 0.416 175.838 174.990 0.721 0.000 1.081 81 C CA -0.959 58.284 59.018 0.375 0.000 1.533 81 C CB -1.592 26.209 27.740 0.102 0.000 1.905 81 C HN 0.545 nan 8.230 nan 0.000 0.439 82 W N 1.358 122.887 121.300 0.382 0.000 2.030 82 W HA 0.452 5.117 4.660 0.009 0.000 0.412 82 W C 0.888 177.706 176.519 0.498 0.000 1.715 82 W CA -0.872 56.695 57.345 0.371 0.000 1.895 82 W CB -0.281 29.338 29.460 0.266 0.000 1.381 82 W HN 0.388 nan 8.180 nan 0.000 0.717 83 S N -0.064 115.947 115.700 0.518 0.000 2.580 83 S HA 0.561 5.036 4.470 0.008 0.000 0.266 83 S C 0.299 175.163 174.600 0.439 0.000 1.354 83 S CA 0.557 58.945 58.200 0.314 0.000 1.008 83 S CB 0.468 63.742 63.200 0.123 0.000 0.898 83 S HN 0.668 nan 8.310 nan 0.000 0.555 84 G N 0.045 109.080 108.800 0.391 0.000 2.427 84 G HA2 0.551 4.516 3.960 0.008 0.000 0.306 84 G HA3 0.551 4.516 3.960 0.008 0.000 0.306 84 G C -1.688 173.393 174.900 0.302 0.000 1.280 84 G CA -0.612 44.722 45.100 0.391 0.000 0.837 84 G HN 0.693 nan 8.290 nan 0.000 0.482 85 S N -1.323 114.539 115.700 0.270 0.000 2.588 85 S HA 0.829 5.304 4.470 0.008 0.000 0.275 85 S C -0.222 174.496 174.600 0.198 0.000 1.130 85 S CA 0.004 58.338 58.200 0.222 0.000 0.855 85 S CB 1.759 65.090 63.200 0.219 0.000 1.116 85 S HN 1.634 nan 8.310 nan 0.000 0.472 86 A N 1.406 124.349 122.820 0.205 0.000 2.301 86 A HA 0.756 5.081 4.320 0.008 0.000 0.312 86 A C -0.312 177.409 177.584 0.228 0.000 1.182 86 A CA -0.480 51.668 52.037 0.186 0.000 0.826 86 A CB 0.388 19.513 19.000 0.208 0.000 1.134 86 A HN 0.606 nan 8.150 nan 0.000 0.501 87 T N 3.551 118.214 114.554 0.181 0.000 2.812 87 T HA 0.418 4.773 4.350 0.008 0.000 0.282 87 T C -0.243 174.509 174.700 0.088 0.000 0.990 87 T CA -0.297 61.909 62.100 0.177 0.000 0.960 87 T CB 0.668 69.625 68.868 0.148 0.000 0.948 87 T HN 0.422 nan 8.240 nan 0.000 0.438 88 I N 4.306 124.981 120.570 0.174 0.000 2.352 88 I HA 0.256 4.430 4.170 0.008 0.000 0.290 88 I C 0.537 176.735 176.117 0.136 0.000 1.036 88 I CA -0.551 60.841 61.300 0.153 0.000 1.336 88 I CB 0.148 38.298 38.000 0.249 0.000 1.407 88 I HN 0.511 nan 8.210 nan 0.000 0.497 89 L N 8.348 129.587 121.223 0.028 0.000 2.466 89 L HA 0.210 4.555 4.340 0.008 0.000 0.257 89 L C -1.009 175.973 176.870 0.186 0.000 1.189 89 L CA -1.338 53.545 54.840 0.073 0.000 0.813 89 L CB 0.059 42.054 42.059 -0.107 0.000 1.118 89 L HN 0.329 nan 8.230 nan 0.000 0.471 90 P HA -0.164 nan 4.420 nan 0.000 0.217 90 P C 0.749 178.131 177.300 0.135 0.000 1.148 90 P CA 1.202 64.416 63.100 0.189 0.000 0.828 90 P CB -0.086 31.722 31.700 0.180 0.000 0.783 91 N N -1.177 117.592 118.700 0.114 0.000 2.550 91 N HA -0.009 4.736 4.740 0.008 0.000 0.186 91 N C 1.325 176.893 175.510 0.098 0.000 1.110 91 N CA 1.326 54.429 53.050 0.087 0.000 0.912 91 N CB -1.101 37.424 38.487 0.063 0.000 0.968 91 N HN 0.238 nan 8.380 nan 0.000 0.448 92 G N -0.643 108.230 108.800 0.122 0.000 2.194 92 G HA2 -0.301 3.664 3.960 0.008 0.000 0.236 92 G HA3 -0.301 3.664 3.960 0.008 0.000 0.236 92 G C -0.137 174.870 174.900 0.179 0.000 0.987 92 G CA 0.103 45.304 45.100 0.169 0.000 0.635 92 G HN 0.569 nan 8.290 nan 0.000 0.520 93 K N 2.114 122.554 120.400 0.068 0.000 2.339 93 K HA 0.438 4.763 4.320 0.008 0.000 0.286 93 K C -2.296 174.236 176.600 -0.113 0.000 1.050 93 K CA -1.615 54.646 56.287 -0.044 0.000 0.956 93 K CB 1.218 33.676 32.500 -0.070 0.000 0.990 93 K HN 0.133 nan 8.250 nan 0.000 0.475 94 P HA 0.102 nan 4.420 nan 0.000 0.290 94 P C -0.963 176.294 177.300 -0.072 0.000 1.276 94 P CA -0.540 62.480 63.100 -0.133 0.000 0.808 94 P CB 1.324 32.904 31.700 -0.201 0.000 0.966 95 V N 1.493 121.400 119.914 -0.012 0.000 2.914 95 V HA 0.646 4.771 4.120 0.008 0.000 0.314 95 V C -0.449 175.713 176.094 0.113 0.000 1.084 95 V CA -1.118 61.222 62.300 0.067 0.000 0.963 95 V CB 2.151 33.943 31.823 -0.050 0.000 1.025 95 V HN 0.322 nan 8.190 nan 0.000 0.432 96 I N 3.363 123.980 120.570 0.078 0.000 2.404 96 I HA 0.490 4.665 4.170 0.008 0.000 0.293 96 I C -0.755 175.346 176.117 -0.026 0.000 0.992 96 I CA -0.614 60.630 61.300 -0.092 0.000 1.149 96 I CB 1.934 39.599 38.000 -0.559 0.000 1.315 96 I HN 0.476 nan 8.210 nan 0.000 0.446 97 L N 7.447 128.670 121.223 0.000 0.000 2.313 97 L HA 0.511 4.856 4.340 0.008 0.000 0.283 97 L C -1.052 175.819 176.870 0.003 0.000 1.013 97 L CA -0.764 54.027 54.840 -0.082 0.000 0.816 97 L CB 1.163 43.112 42.059 -0.184 0.000 1.236 97 L HN 0.529 nan 8.230 nan 0.000 0.419 98 Y N 0.084 120.247 120.300 -0.228 0.000 2.588 98 Y HA 0.596 5.151 4.550 0.009 0.000 0.343 98 Y C -0.529 175.299 175.900 -0.119 0.000 1.065 98 Y CA -1.143 56.889 58.100 -0.114 0.000 1.038 98 Y CB 1.323 39.610 38.460 -0.290 0.000 1.297 98 Y HN 0.298 nan 8.280 nan 0.000 0.467 99 T N 2.433 117.011 114.554 0.040 0.000 2.794 99 T HA 0.541 4.896 4.350 0.008 0.000 0.296 99 T C 0.258 174.944 174.700 -0.023 0.000 0.949 99 T CA 0.068 62.117 62.100 -0.083 0.000 1.101 99 T CB 0.573 69.480 68.868 0.065 0.000 0.905 99 T HN 0.983 nan 8.240 nan 0.000 0.516 100 G N 2.409 111.074 108.800 -0.225 0.000 2.400 100 G HA2 0.594 4.559 3.960 0.008 0.000 0.333 100 G HA3 0.594 4.559 3.960 0.008 0.000 0.333 100 G C -0.572 174.173 174.900 -0.258 0.000 1.143 100 G CA -0.713 44.308 45.100 -0.131 0.000 0.914 100 G HN 0.617 nan 8.290 nan 0.000 0.480 101 I N 2.851 123.223 120.570 -0.330 0.000 2.297 101 I HA 0.179 4.354 4.170 0.008 0.000 0.291 101 I C 0.176 176.183 176.117 -0.183 0.000 1.033 101 I CA -0.944 60.141 61.300 -0.359 0.000 1.253 101 I CB 0.648 38.353 38.000 -0.492 0.000 1.396 101 I HN 0.645 nan 8.210 nan 0.000 0.476 102 D N 8.674 128.995 120.400 -0.131 0.000 2.447 102 D HA 0.228 4.873 4.640 0.008 0.000 0.265 102 D C -2.198 174.059 176.300 -0.073 0.000 1.250 102 D CA -1.785 52.169 54.000 -0.077 0.000 1.046 102 D CB 0.269 41.046 40.800 -0.038 0.000 1.095 102 D HN 0.136 nan 8.370 nan 0.000 0.555 103 P HA -0.017 nan 4.420 nan 0.000 0.226 103 P C 0.389 177.666 177.300 -0.038 0.000 1.153 103 P CA 1.336 64.407 63.100 -0.048 0.000 0.777 103 P CB 0.124 31.799 31.700 -0.041 0.000 0.794 104 K N -0.472 119.906 120.400 -0.036 0.000 2.437 104 K HA 0.153 4.478 4.320 0.008 0.000 0.205 104 K C -0.046 176.534 176.600 -0.033 0.000 1.026 104 K CA -0.174 56.095 56.287 -0.029 0.000 1.153 104 K CB -0.288 32.197 32.500 -0.024 0.000 0.863 104 K HN -0.026 nan 8.250 nan 0.000 0.502 105 N N 2.096 120.767 118.700 -0.049 0.000 2.725 105 N HA -0.197 4.548 4.740 0.008 0.000 0.249 105 N C -0.903 174.565 175.510 -0.069 0.000 1.103 105 N CA 1.070 54.083 53.050 -0.062 0.000 0.707 105 N CB -1.102 37.371 38.487 -0.024 0.000 1.043 105 N HN 0.497 nan 8.380 nan 0.000 0.553 106 Q N 0.358 120.117 119.800 -0.069 0.000 2.241 106 Q HA 0.297 4.642 4.340 0.008 0.000 0.254 106 Q C 0.072 176.024 176.000 -0.081 0.000 0.917 106 Q CA -0.370 55.402 55.803 -0.051 0.000 0.919 106 Q CB 1.265 29.986 28.738 -0.028 0.000 1.237 106 Q HN 0.166 nan 8.270 nan 0.000 0.434 107 Q N 1.642 121.414 119.800 -0.047 0.000 2.295 107 Q HA 0.324 4.668 4.340 0.008 0.000 0.259 107 Q C -0.421 175.600 176.000 0.035 0.000 0.976 107 Q CA -0.359 55.401 55.803 -0.073 0.000 0.923 107 Q CB 0.860 29.587 28.738 -0.017 0.000 1.185 107 Q HN 0.459 nan 8.270 nan 0.000 0.410 108 V N -0.268 119.595 119.914 -0.086 0.000 3.040 108 V HA 0.492 4.617 4.120 0.008 0.000 0.312 108 V C -1.153 174.778 176.094 -0.271 0.000 1.115 108 V CA -1.169 61.079 62.300 -0.087 0.000 0.998 108 V CB 2.368 34.146 31.823 -0.075 0.000 1.042 108 V HN 0.545 nan 8.190 nan 0.000 0.433 109 Q N 2.991 122.584 119.800 -0.344 0.000 2.325 109 Q HA 0.576 4.921 4.340 0.008 0.000 0.262 109 Q C -1.047 174.620 176.000 -0.555 0.000 0.968 109 Q CA -0.281 55.218 55.803 -0.508 0.000 0.877 109 Q CB 1.344 29.721 28.738 -0.602 0.000 1.253 109 Q HN 0.855 nan 8.270 nan 0.000 0.448 110 N N 1.951 120.204 118.700 -0.744 0.000 2.432 110 N HA 0.546 5.291 4.740 0.008 0.000 0.292 110 N C -0.633 174.516 175.510 -0.602 0.000 1.193 110 N CA -0.631 51.956 53.050 -0.771 0.000 0.878 110 N CB 2.163 40.062 38.487 -0.981 0.000 1.252 110 N HN 0.519 nan 8.380 nan 0.000 0.520 111 I N 0.375 120.725 120.570 -0.368 0.000 2.441 111 I HA 0.627 4.802 4.170 0.008 0.000 0.295 111 I C -0.897 175.213 176.117 -0.011 0.000 0.994 111 I CA -0.606 60.612 61.300 -0.136 0.000 1.144 111 I CB 1.239 39.207 38.000 -0.053 0.000 1.314 111 I HN 0.584 nan 8.210 nan 0.000 0.445 112 A N 6.841 129.694 122.820 0.055 0.000 2.401 112 A HA 0.778 5.103 4.320 0.008 0.000 0.310 112 A C -1.223 176.501 177.584 0.234 0.000 1.075 112 A CA -0.511 51.581 52.037 0.092 0.000 0.746 112 A CB 1.448 20.389 19.000 -0.098 0.000 1.277 112 A HN 0.756 nan 8.150 nan 0.000 0.425 113 E N 1.062 121.416 120.200 0.256 0.000 2.408 113 E HA 0.623 4.978 4.350 0.008 0.000 0.275 113 E C -3.114 173.324 176.600 -0.270 0.000 0.935 113 E CA -2.289 54.161 56.400 0.083 0.000 0.775 113 E CB 1.952 31.628 29.700 -0.039 0.000 1.277 113 E HN 0.248 nan 8.360 nan 0.000 0.455 114 P HA 0.036 nan 4.420 nan 0.000 0.268 114 P C -0.044 176.971 177.300 -0.476 0.000 1.204 114 P CA -0.114 62.363 63.100 -1.038 0.000 0.768 114 P CB 0.813 31.904 31.700 -1.016 0.000 0.842 115 K N 2.374 122.553 120.400 -0.368 0.000 2.217 115 K HA -0.063 4.262 4.320 0.008 0.000 0.202 115 K C 0.300 176.812 176.600 -0.148 0.000 1.051 115 K CA 0.918 57.097 56.287 -0.180 0.000 0.952 115 K CB 0.087 32.526 32.500 -0.101 0.000 0.736 115 K HN 0.328 nan 8.250 nan 0.000 0.453 116 N N 0.308 118.900 118.700 -0.181 0.000 2.594 116 N HA 0.080 4.824 4.740 0.008 0.000 0.280 116 N C -0.089 175.350 175.510 -0.118 0.000 1.156 116 N CA -0.190 52.793 53.050 -0.112 0.000 0.831 116 N CB 0.924 39.374 38.487 -0.061 0.000 1.379 116 N HN -0.013 nan 8.380 nan 0.000 0.536 117 L N 1.001 122.166 121.223 -0.096 0.000 2.362 117 L HA 0.006 4.350 4.340 0.008 0.000 0.219 117 L C 1.520 178.433 176.870 0.071 0.000 1.134 117 L CA 0.705 55.529 54.840 -0.028 0.000 0.807 117 L CB -0.024 42.030 42.059 -0.008 0.000 0.927 117 L HN 0.403 nan 8.230 nan 0.000 0.447 118 S N -1.487 114.221 115.700 0.013 0.000 2.527 118 S HA -0.056 4.418 4.470 0.008 0.000 0.222 118 S C 0.598 175.190 174.600 -0.013 0.000 0.985 118 S CA 0.109 58.310 58.200 0.001 0.000 0.921 118 S CB -0.254 62.938 63.200 -0.012 0.000 0.772 118 S HN 0.326 nan 8.310 nan 0.000 0.529 119 D N 1.959 122.356 120.400 -0.006 0.000 2.336 119 D HA 0.192 4.837 4.640 0.008 0.000 0.249 119 D C -1.893 174.395 176.300 -0.020 0.000 1.213 119 D CA -2.308 51.681 54.000 -0.018 0.000 0.870 119 D CB 1.364 42.171 40.800 0.011 0.000 1.076 119 D HN 0.006 nan 8.370 nan 0.000 0.483 120 P HA -0.059 nan 4.420 nan 0.000 0.223 120 P C 0.479 177.709 177.300 -0.117 0.000 1.151 120 P CA 0.938 63.904 63.100 -0.223 0.000 0.787 120 P CB -0.021 31.378 31.700 -0.502 0.000 0.788 121 Y N -0.917 119.469 120.300 0.143 0.000 2.482 121 Y HA 0.244 4.799 4.550 0.009 0.000 0.270 121 Y C 1.053 177.113 175.900 0.267 0.000 1.152 121 Y CA -0.599 57.559 58.100 0.097 0.000 1.292 121 Y CB -0.498 37.820 38.460 -0.237 0.000 1.070 121 Y HN -0.343 nan 8.280 nan 0.000 0.528 122 L N 0.954 122.357 121.223 0.301 0.000 3.879 122 L HA -0.386 3.959 4.340 0.008 0.000 0.481 122 L C 1.204 178.294 176.870 0.367 0.000 1.232 122 L CA 0.206 55.143 54.840 0.161 0.000 0.736 122 L CB -1.083 41.014 42.059 0.063 0.000 1.511 122 L HN 0.424 nan 8.230 nan 0.000 0.830 123 R N 0.335 120.984 120.500 0.249 0.000 2.090 123 R HA 0.024 4.369 4.340 0.008 0.000 0.228 123 R C 0.415 176.945 176.300 0.383 0.000 1.110 123 R CA 1.102 57.392 56.100 0.317 0.000 0.973 123 R CB 0.115 30.518 30.300 0.172 0.000 0.869 123 R HN 0.549 nan 8.270 nan 0.000 0.440 124 E N -0.583 119.737 120.200 0.200 0.000 2.176 124 E HA 0.159 4.514 4.350 0.008 0.000 0.267 124 E C -1.408 175.205 176.600 0.020 0.000 0.893 124 E CA -0.524 55.991 56.400 0.190 0.000 0.761 124 E CB 1.387 31.152 29.700 0.108 0.000 1.133 124 E HN 0.006 nan 8.360 nan 0.000 0.409 125 W N 2.789 124.065 121.300 -0.039 0.000 2.706 125 W HA 0.359 5.024 4.660 0.007 0.000 0.346 125 W C -0.071 176.372 176.519 -0.126 0.000 1.071 125 W CA -0.682 56.592 57.345 -0.117 0.000 1.206 125 W CB 1.259 30.588 29.460 -0.219 0.000 1.413 125 W HN 0.318 nan 8.180 nan 0.000 0.542 126 K N 1.234 121.682 120.400 0.080 0.000 2.340 126 K HA 0.805 5.129 4.320 0.008 0.000 0.244 126 K C -1.023 175.607 176.600 0.050 0.000 0.973 126 K CA -1.148 55.158 56.287 0.031 0.000 0.828 126 K CB 2.337 34.834 32.500 -0.004 0.000 1.226 126 K HN 0.406 nan 8.250 nan 0.000 0.437 127 K N 0.856 121.288 120.400 0.054 0.000 2.371 127 K HA 0.210 4.535 4.320 0.008 0.000 0.251 127 K C -0.919 175.708 176.600 0.045 0.000 0.934 127 K CA -0.927 55.406 56.287 0.077 0.000 0.798 127 K CB 2.196 34.819 32.500 0.205 0.000 1.204 127 K HN 0.658 nan 8.250 nan 0.000 0.427 128 S N 2.004 117.667 115.700 -0.062 0.000 2.549 128 S HA 0.131 4.606 4.470 0.008 0.000 0.279 128 S C -1.699 172.832 174.600 -0.115 0.000 1.321 128 S CA -1.283 56.865 58.200 -0.086 0.000 1.054 128 S CB 0.463 63.594 63.200 -0.114 0.000 0.899 128 S HN 0.321 nan 8.310 nan 0.000 0.497 129 P HA -0.009 nan 4.420 nan 0.000 0.225 129 P C 1.002 178.265 177.300 -0.061 0.000 1.148 129 P CA 0.835 63.943 63.100 0.014 0.000 0.779 129 P CB 0.030 31.746 31.700 0.027 0.000 0.780 130 L N -1.926 119.229 121.223 -0.113 0.000 2.376 130 L HA -0.033 4.312 4.340 0.008 0.000 0.219 130 L C 0.689 177.420 176.870 -0.231 0.000 1.133 130 L CA 0.314 55.079 54.840 -0.124 0.000 0.816 130 L CB -0.894 41.113 42.059 -0.087 0.000 0.933 130 L HN 0.006 nan 8.230 nan 0.000 0.449 131 N N 1.612 120.029 118.700 -0.472 0.000 2.407 131 N HA 0.053 4.798 4.740 0.008 0.000 0.250 131 N C -2.208 173.013 175.510 -0.481 0.000 1.236 131 N CA -0.705 51.888 53.050 -0.762 0.000 0.879 131 N CB 0.120 37.514 38.487 -1.821 0.000 1.088 131 N HN 0.013 nan 8.380 nan 0.000 0.450 132 P HA 0.129 nan 4.420 nan 0.000 0.285 132 P C 0.536 177.695 177.300 -0.236 0.000 1.259 132 P CA -0.500 62.410 63.100 -0.317 0.000 0.794 132 P CB 0.970 32.558 31.700 -0.186 0.000 0.940 133 L N 2.101 123.162 121.223 -0.270 0.000 2.093 133 L HA 0.083 4.428 4.340 0.008 0.000 0.208 133 L C 1.376 178.159 176.870 -0.146 0.000 1.085 133 L CA 1.820 56.566 54.840 -0.157 0.000 0.755 133 L CB -0.969 40.993 42.059 -0.161 0.000 0.904 133 L HN 0.470 nan 8.230 nan 0.000 0.435 134 M N -1.399 118.039 119.600 -0.270 0.000 2.263 134 M HA 0.620 5.105 4.480 0.008 0.000 0.295 134 M C -0.805 175.460 176.300 -0.057 0.000 1.028 134 M CA -0.122 55.020 55.300 -0.262 0.000 0.921 134 M CB 2.582 34.760 32.600 -0.703 0.000 1.601 134 M HN -0.054 nan 8.290 nan 0.000 0.440 135 A N 3.460 126.310 122.820 0.050 0.000 2.572 135 A HA 0.970 5.295 4.320 0.008 0.000 0.295 135 A C -3.031 174.527 177.584 -0.043 0.000 1.072 135 A CA -1.505 50.577 52.037 0.074 0.000 0.691 135 A CB 1.407 20.411 19.000 0.006 0.000 1.291 135 A HN 0.457 nan 8.150 nan 0.000 0.404 136 P HA 0.459 nan 4.420 nan 0.000 0.271 136 P C -1.128 176.105 177.300 -0.111 0.000 1.218 136 P CA 0.351 63.315 63.100 -0.226 0.000 0.780 136 P CB 0.694 32.267 31.700 -0.211 0.000 0.901 137 D N -0.055 120.281 120.400 -0.107 0.000 2.692 137 D HA 0.404 5.049 4.640 0.008 0.000 0.303 137 D C 0.552 176.812 176.300 -0.067 0.000 1.278 137 D CA -0.862 53.098 54.000 -0.067 0.000 0.852 137 D CB -0.080 40.695 40.800 -0.042 0.000 1.375 137 D HN 0.135 nan 8.370 nan 0.000 0.453 138 A N -0.298 122.493 122.820 -0.049 0.000 1.972 138 A HA -0.022 4.303 4.320 0.008 0.000 0.219 138 A C 1.947 179.502 177.584 -0.047 0.000 1.169 138 A CA 2.034 54.044 52.037 -0.045 0.000 0.635 138 A CB -0.869 18.111 19.000 -0.033 0.000 0.810 138 A HN 0.369 nan 8.150 nan 0.000 0.446 139 V N 1.725 121.613 119.914 -0.044 0.000 2.283 139 V HA -0.225 3.900 4.120 0.008 0.000 0.243 139 V C 2.402 178.461 176.094 -0.058 0.000 1.039 139 V CA 2.107 64.382 62.300 -0.043 0.000 1.016 139 V CB -1.168 30.636 31.823 -0.033 0.000 0.650 139 V HN 0.883 nan 8.190 nan 0.000 0.449 140 N N 1.269 119.927 118.700 -0.070 0.000 2.270 140 N HA 0.037 4.782 4.740 0.008 0.000 0.181 140 N C 1.528 176.970 175.510 -0.113 0.000 1.016 140 N CA 1.349 54.343 53.050 -0.094 0.000 0.870 140 N CB -0.611 37.816 38.487 -0.100 0.000 0.979 140 N HN 0.535 nan 8.380 nan 0.000 0.431 141 G N -0.145 108.588 108.800 -0.113 0.000 2.153 141 G HA2 -0.278 3.687 3.960 0.008 0.000 0.252 141 G HA3 -0.278 3.687 3.960 0.008 0.000 0.252 141 G C -0.138 174.673 174.900 -0.149 0.000 0.994 141 G CA 0.273 45.306 45.100 -0.113 0.000 0.698 141 G HN 0.438 nan 8.290 nan 0.000 0.521 142 I N 0.423 120.867 120.570 -0.210 0.000 2.634 142 I HA 0.088 4.263 4.170 0.008 0.000 0.284 142 I C 0.726 176.707 176.117 -0.227 0.000 1.124 142 I CA -0.293 60.834 61.300 -0.287 0.000 1.417 142 I CB 0.461 38.108 38.000 -0.588 0.000 1.396 142 I HN 0.131 nan 8.210 nan 0.000 0.571 143 N N 4.435 123.036 118.700 -0.165 0.000 2.420 143 N HA 0.186 4.931 4.740 0.008 0.000 0.262 143 N C 0.830 176.316 175.510 -0.040 0.000 1.144 143 N CA -0.107 52.886 53.050 -0.095 0.000 0.952 143 N CB 1.314 39.755 38.487 -0.077 0.000 1.081 143 N HN 0.723 nan 8.380 nan 0.000 0.480 144 A N 1.777 124.576 122.820 -0.035 0.000 2.070 144 A HA -0.101 4.224 4.320 0.008 0.000 0.220 144 A C 1.726 179.346 177.584 0.060 0.000 1.159 144 A CA 1.152 53.194 52.037 0.008 0.000 0.656 144 A CB -0.018 18.972 19.000 -0.016 0.000 0.800 144 A HN 0.575 nan 8.150 nan 0.000 0.453 145 S N -0.557 115.177 115.700 0.057 0.000 2.535 145 S HA 0.141 4.616 4.470 0.008 0.000 0.214 145 S C 0.506 175.186 174.600 0.135 0.000 0.980 145 S CA 0.171 58.423 58.200 0.087 0.000 0.907 145 S CB 0.281 63.523 63.200 0.070 0.000 0.790 145 S HN 0.366 nan 8.310 nan 0.000 0.510 146 S N 1.744 117.527 115.700 0.138 0.000 2.060 146 S HA 0.497 4.972 4.470 0.008 0.000 0.156 146 S C -1.025 173.736 174.600 0.267 0.000 1.690 146 S CA -0.427 57.873 58.200 0.167 0.000 1.238 146 S CB 0.013 63.272 63.200 0.097 0.000 1.150 146 S HN 0.371 nan 8.310 nan 0.000 0.437 147 F N 3.524 123.514 119.950 0.066 0.000 3.256 147 F HA 0.359 4.891 4.527 0.009 0.000 0.406 147 F C -0.532 175.299 175.800 0.052 0.000 1.157 147 F CA -0.454 57.572 58.000 0.043 0.000 1.278 147 F CB 0.349 39.350 39.000 0.002 0.000 2.424 147 F HN 0.411 nan 8.300 nan 0.000 0.675 148 R N 1.267 121.694 120.500 -0.122 0.000 2.766 148 R HA 0.653 4.998 4.340 0.008 0.000 0.270 148 R C -1.581 174.695 176.300 -0.040 0.000 1.035 148 R CA -0.868 55.174 56.100 -0.096 0.000 0.911 148 R CB 1.156 31.561 30.300 0.176 0.000 1.243 148 R HN 0.126 nan 8.270 nan 0.000 0.460 149 D N -0.390 120.023 120.400 0.022 0.000 3.061 149 D HA -0.062 4.583 4.640 0.008 0.000 0.252 149 D C -2.495 173.821 176.300 0.027 0.000 1.080 149 D CA 0.243 54.290 54.000 0.078 0.000 0.871 149 D CB -0.920 39.957 40.800 0.128 0.000 1.018 149 D HN 0.413 nan 8.370 nan 0.000 0.425 150 P HA 0.114 nan 4.420 nan 0.000 0.271 150 P C 0.691 178.028 177.300 0.061 0.000 1.216 150 P CA -0.072 62.987 63.100 -0.068 0.000 0.771 150 P CB 0.638 32.224 31.700 -0.190 0.000 0.864 151 T N -0.230 114.396 114.554 0.120 0.000 2.754 151 T HA 0.196 4.551 4.350 0.008 0.000 0.286 151 T C 0.243 175.100 174.700 0.262 0.000 0.997 151 T CA -0.508 61.739 62.100 0.244 0.000 0.982 151 T CB -0.386 68.713 68.868 0.384 0.000 1.027 151 T HN 0.211 nan 8.240 nan 0.000 0.529 152 T N 2.061 116.824 114.554 0.348 0.000 2.902 152 T HA 0.445 4.799 4.350 0.008 0.000 0.301 152 T C 0.605 175.625 174.700 0.533 0.000 1.012 152 T CA -0.089 62.250 62.100 0.398 0.000 1.151 152 T CB -0.074 69.043 68.868 0.414 0.000 0.946 152 T HN 0.936 nan 8.240 nan 0.000 0.542 153 A N 3.562 126.679 122.820 0.496 0.000 2.322 153 A HA 0.659 4.984 4.320 0.008 0.000 0.269 153 A C -0.388 177.705 177.584 0.848 0.000 1.094 153 A CA -0.867 51.500 52.037 0.550 0.000 0.807 153 A CB 0.324 19.674 19.000 0.583 0.000 1.047 153 A HN 0.968 nan 8.150 nan 0.000 0.487 154 W N 0.769 122.475 121.300 0.676 0.000 2.844 154 W HA 0.619 5.284 4.660 0.008 0.000 0.340 154 W C -1.538 175.199 176.519 0.364 0.000 1.093 154 W CA -1.283 56.370 57.345 0.513 0.000 1.212 154 W CB 0.936 30.606 29.460 0.350 0.000 1.422 154 W HN 0.508 nan 8.180 nan 0.000 0.515 155 L N 4.022 125.270 121.223 0.042 0.000 2.264 155 L HA 0.769 5.114 4.340 0.008 0.000 0.289 155 L C 0.372 177.220 176.870 -0.036 0.000 1.044 155 L CA -0.269 54.282 54.840 -0.482 0.000 0.807 155 L CB 0.639 42.054 42.059 -1.073 0.000 1.192 155 L HN 0.774 nan 8.230 nan 0.000 0.425 156 G N 3.498 112.326 108.800 0.045 0.000 2.537 156 G HA2 0.267 4.232 3.960 0.008 0.000 0.273 156 G HA3 0.267 4.232 3.960 0.008 0.000 0.273 156 G C 0.474 175.540 174.900 0.276 0.000 1.189 156 G CA -0.031 45.230 45.100 0.268 0.000 0.881 156 G HN 0.765 nan 8.290 nan 0.000 0.535 157 Q N 0.657 120.682 119.800 0.376 0.000 2.217 157 Q HA -0.196 4.149 4.340 0.008 0.000 0.209 157 Q C 1.042 177.050 176.000 0.013 0.000 0.988 157 Q CA 2.092 57.941 55.803 0.076 0.000 0.878 157 Q CB -0.590 28.041 28.738 -0.177 0.000 0.909 157 Q HN 0.663 nan 8.270 nan 0.000 0.424 158 D N 0.089 120.508 120.400 0.032 0.000 2.319 158 D HA 0.069 4.714 4.640 0.008 0.000 0.230 158 D C -0.160 176.134 176.300 -0.009 0.000 1.094 158 D CA 0.084 54.087 54.000 0.005 0.000 0.856 158 D CB -0.061 40.746 40.800 0.013 0.000 0.915 158 D HN 0.361 nan 8.370 nan 0.000 0.517 159 K N -1.231 119.155 120.400 -0.024 0.000 3.274 159 K HA -0.232 4.093 4.320 0.008 0.000 0.300 159 K C -0.500 176.029 176.600 -0.118 0.000 1.230 159 K CA 0.769 57.007 56.287 -0.082 0.000 0.884 159 K CB -1.472 31.002 32.500 -0.044 0.000 1.242 159 K HN 0.279 nan 8.250 nan 0.000 0.467 160 K N 0.380 120.729 120.400 -0.085 0.000 2.235 160 K HA 0.241 4.566 4.320 0.008 0.000 0.266 160 K C -0.435 176.124 176.600 -0.068 0.000 0.980 160 K CA -0.685 55.569 56.287 -0.055 0.000 0.849 160 K CB 0.652 33.148 32.500 -0.007 0.000 1.098 160 K HN 0.038 nan 8.250 nan 0.000 0.445 161 W N 2.137 123.414 121.300 -0.039 0.000 2.193 161 W HA 0.114 4.779 4.660 0.008 0.000 0.338 161 W C 0.592 177.066 176.519 -0.075 0.000 1.310 161 W CA -0.069 57.270 57.345 -0.010 0.000 1.243 161 W CB 0.437 29.929 29.460 0.054 0.000 1.165 161 W HN 0.282 nan 8.180 nan 0.000 0.566 162 R N 1.285 121.772 120.500 -0.022 0.000 2.664 162 R HA 0.777 5.122 4.340 0.008 0.000 0.286 162 R C -1.173 174.837 176.300 -0.483 0.000 0.967 162 R CA -1.019 54.880 56.100 -0.334 0.000 0.933 162 R CB 1.920 31.739 30.300 -0.802 0.000 1.146 162 R HN 0.325 nan 8.270 nan 0.000 0.468 163 V N 3.773 123.525 119.914 -0.269 0.000 3.087 163 V HA 0.662 4.786 4.120 0.008 0.000 0.306 163 V C -1.317 174.729 176.094 -0.081 0.000 1.187 163 V CA -0.794 61.344 62.300 -0.269 0.000 0.999 163 V CB 2.043 33.656 31.823 -0.350 0.000 1.049 163 V HN 0.744 nan 8.190 nan 0.000 0.431 164 I N 2.975 123.592 120.570 0.079 0.000 2.740 164 I HA 0.772 4.946 4.170 0.008 0.000 0.303 164 I C -1.245 174.936 176.117 0.107 0.000 1.044 164 I CA -0.902 60.495 61.300 0.160 0.000 1.064 164 I CB 2.174 40.317 38.000 0.239 0.000 1.249 164 I HN 0.506 nan 8.210 nan 0.000 0.433 165 I N 3.053 123.694 120.570 0.118 0.000 2.533 165 I HA 0.523 4.698 4.170 0.008 0.000 0.290 165 I C 0.613 176.813 176.117 0.138 0.000 1.056 165 I CA -0.490 60.822 61.300 0.020 0.000 1.057 165 I CB 2.053 39.929 38.000 -0.208 0.000 1.240 165 I HN 0.806 nan 8.210 nan 0.000 0.423 166 G N 2.751 111.637 108.800 0.142 0.000 2.441 166 G HA2 0.469 4.434 3.960 0.008 0.000 0.243 166 G HA3 0.469 4.434 3.960 0.008 0.000 0.243 166 G C -0.330 174.701 174.900 0.220 0.000 1.281 166 G CA 0.132 45.375 45.100 0.238 0.000 0.854 166 G HN 0.607 nan 8.290 nan 0.000 0.560 167 S N 0.242 116.063 115.700 0.202 0.000 2.727 167 S HA 0.796 5.271 4.470 0.008 0.000 0.278 167 S C -1.214 173.397 174.600 0.020 0.000 1.186 167 S CA -0.612 57.685 58.200 0.163 0.000 0.836 167 S CB 1.543 64.878 63.200 0.226 0.000 1.186 167 S HN 1.186 nan 8.310 nan 0.000 0.499 168 K N 0.618 121.013 120.400 -0.008 0.000 2.568 168 K HA 0.649 4.974 4.320 0.008 0.000 0.273 168 K C -1.870 174.666 176.600 -0.106 0.000 0.951 168 K CA -0.892 55.342 56.287 -0.088 0.000 0.854 168 K CB 1.083 33.551 32.500 -0.053 0.000 1.424 168 K HN 0.402 nan 8.250 nan 0.000 0.427 169 I N 4.386 124.875 120.570 -0.136 0.000 2.466 169 I HA 0.293 4.468 4.170 0.008 0.000 0.279 169 I C 0.239 176.281 176.117 -0.126 0.000 1.033 169 I CA 0.029 61.209 61.300 -0.201 0.000 1.123 169 I CB -0.018 37.890 38.000 -0.154 0.000 1.237 169 I HN 0.856 nan 8.210 nan 0.000 0.460 170 H N 4.650 123.700 119.070 -0.034 0.000 1.452 170 H HA -0.215 4.346 4.556 0.008 0.000 0.090 170 H C 0.895 176.214 175.328 -0.014 0.000 0.624 170 H CA 0.917 56.953 56.048 -0.021 0.000 1.901 170 H CB -0.606 29.142 29.762 -0.024 0.000 2.257 170 H HN 0.520 nan 8.280 nan 0.000 0.961 171 R N 2.489 123.076 120.500 0.144 0.000 2.334 171 R HA 0.139 4.484 4.340 0.008 0.000 0.220 171 R C 1.000 177.323 176.300 0.039 0.000 0.917 171 R CA 0.014 56.159 56.100 0.075 0.000 1.073 171 R CB 0.107 30.447 30.300 0.067 0.000 1.056 171 R HN 0.284 nan 8.270 nan 0.000 0.506 172 R N 0.956 121.460 120.500 0.008 0.000 2.207 172 R HA 0.270 4.615 4.340 0.008 0.000 0.334 172 R C -0.215 175.953 176.300 -0.221 0.000 1.013 172 R CA -0.158 55.906 56.100 -0.060 0.000 0.858 172 R CB 0.946 31.220 30.300 -0.044 0.000 1.094 172 R HN 0.019 nan 8.270 nan 0.000 0.457 173 G N 4.264 112.819 108.800 -0.407 0.000 2.483 173 G HA2 0.400 4.365 3.960 0.008 0.000 0.248 173 G HA3 0.400 4.365 3.960 0.008 0.000 0.248 173 G C -0.700 173.313 174.900 -1.478 0.000 1.248 173 G CA -0.490 43.935 45.100 -1.126 0.000 0.838 173 G HN 0.504 nan 8.290 nan 0.000 0.566 174 L N 0.459 120.952 121.223 -1.216 0.000 2.409 174 L HA 0.652 4.997 4.340 0.008 0.000 0.262 174 L C 0.008 176.786 176.870 -0.152 0.000 0.992 174 L CA -1.137 53.327 54.840 -0.626 0.000 0.817 174 L CB 2.624 44.542 42.059 -0.234 0.000 1.350 174 L HN 0.609 nan 8.230 nan 0.000 0.411 175 A N 3.716 126.610 122.820 0.125 0.000 2.664 175 A HA 0.585 4.910 4.320 0.008 0.000 0.338 175 A C -0.423 177.296 177.584 0.225 0.000 1.280 175 A CA -0.350 51.887 52.037 0.333 0.000 0.809 175 A CB -0.167 19.119 19.000 0.476 0.000 1.114 175 A HN 0.597 nan 8.150 nan 0.000 0.479 176 I N 2.528 123.230 120.570 0.220 0.000 2.517 176 I HA 0.095 4.270 4.170 0.008 0.000 0.285 176 I C 0.275 176.547 176.117 0.257 0.000 1.106 176 I CA 0.425 61.859 61.300 0.222 0.000 1.402 176 I CB 1.029 39.228 38.000 0.331 0.000 1.399 176 I HN 0.464 nan 8.210 nan 0.000 0.535 177 T N 5.842 120.494 114.554 0.164 0.000 2.837 177 T HA 0.444 4.799 4.350 0.008 0.000 0.285 177 T C -0.681 174.080 174.700 0.103 0.000 0.984 177 T CA -0.299 61.896 62.100 0.158 0.000 1.049 177 T CB 0.665 69.605 68.868 0.121 0.000 0.947 177 T HN 0.181 nan 8.240 nan 0.000 0.472 178 Y N 1.313 121.668 120.300 0.091 0.000 2.485 178 Y HA 0.571 5.126 4.550 0.008 0.000 0.345 178 Y C 0.818 176.893 175.900 0.291 0.000 0.998 178 Y CA -0.880 57.330 58.100 0.184 0.000 1.059 178 Y CB 2.161 40.728 38.460 0.178 0.000 1.234 178 Y HN 0.761 nan 8.280 nan 0.000 0.461 179 T N -1.206 113.575 114.554 0.380 0.000 2.907 179 T HA 0.802 5.157 4.350 0.008 0.000 0.292 179 T C -0.720 173.965 174.700 -0.026 0.000 1.043 179 T CA -0.880 61.340 62.100 0.201 0.000 1.003 179 T CB 1.854 70.775 68.868 0.087 0.000 1.084 179 T HN 0.568 nan 8.240 nan 0.000 0.483 180 S N -0.014 115.500 115.700 -0.311 0.000 2.537 180 S HA 0.433 4.908 4.470 0.008 0.000 0.271 180 S C 0.136 174.600 174.600 -0.227 0.000 1.148 180 S CA -0.841 57.003 58.200 -0.594 0.000 0.868 180 S CB 1.759 63.866 63.200 -1.821 0.000 1.115 180 S HN 0.830 nan 8.310 nan 0.000 0.461 181 K N 1.081 121.391 120.400 -0.149 0.000 2.099 181 K HA 0.071 4.396 4.320 0.008 0.000 0.203 181 K C 0.570 177.227 176.600 0.095 0.000 1.047 181 K CA 1.175 57.464 56.287 0.003 0.000 0.963 181 K CB -0.057 32.431 32.500 -0.019 0.000 0.759 181 K HN 0.739 nan 8.250 nan 0.000 0.451 182 D N -0.737 119.656 120.400 -0.013 0.000 2.369 182 D HA -0.024 4.620 4.640 0.008 0.000 0.211 182 D C 0.305 176.638 176.300 0.055 0.000 1.077 182 D CA -0.475 53.550 54.000 0.042 0.000 0.842 182 D CB -0.176 40.625 40.800 0.001 0.000 0.947 182 D HN 0.133 nan 8.370 nan 0.000 0.509 183 F N -0.289 119.443 119.950 -0.365 0.000 2.884 183 F HA -0.297 4.235 4.527 0.008 0.000 0.294 183 F C 0.171 175.895 175.800 -0.128 0.000 0.723 183 F CA 0.590 58.333 58.000 -0.429 0.000 1.294 183 F CB -1.291 37.498 39.000 -0.351 0.000 1.551 183 F HN 0.107 nan 8.300 nan 0.000 0.363 184 L N -1.432 119.695 121.223 -0.160 0.000 2.713 184 L HA 0.177 4.522 4.340 0.008 0.000 0.223 184 L C 0.790 177.635 176.870 -0.040 0.000 1.040 184 L CA -0.016 54.826 54.840 0.004 0.000 0.894 184 L CB 0.006 42.075 42.059 0.016 0.000 1.361 184 L HN -0.207 nan 8.230 nan 0.000 0.490 185 K N 1.006 121.298 120.400 -0.179 0.000 2.273 185 K HA 0.172 4.497 4.320 0.008 0.000 0.287 185 K C -1.544 174.891 176.600 -0.275 0.000 1.089 185 K CA -0.127 56.086 56.287 -0.124 0.000 0.909 185 K CB 0.468 32.914 32.500 -0.091 0.000 1.123 185 K HN -0.042 nan 8.250 nan 0.000 0.473 186 W N 1.869 123.157 121.300 -0.021 0.000 2.551 186 W HA 0.301 4.966 4.660 0.008 0.000 0.330 186 W C 0.071 176.695 176.519 0.174 0.000 1.063 186 W CA -0.551 56.825 57.345 0.051 0.000 1.222 186 W CB 1.257 30.702 29.460 -0.024 0.000 1.349 186 W HN 0.446 nan 8.180 nan 0.000 0.536 187 E N 3.105 123.551 120.200 0.410 0.000 2.263 187 E HA 0.200 4.555 4.350 0.008 0.000 0.268 187 E C -0.898 175.668 176.600 -0.056 0.000 0.884 187 E CA -0.853 55.655 56.400 0.181 0.000 0.766 187 E CB 1.298 31.035 29.700 0.062 0.000 1.196 187 E HN 0.397 nan 8.360 nan 0.000 0.416 188 K N 2.426 122.582 120.400 -0.406 0.000 2.401 188 K HA 0.138 4.463 4.320 0.008 0.000 0.278 188 K C -0.654 175.719 176.600 -0.379 0.000 1.018 188 K CA -0.005 55.732 56.287 -0.916 0.000 0.981 188 K CB 0.730 32.772 32.500 -0.763 0.000 0.933 188 K HN 0.413 nan 8.250 nan 0.000 0.477 189 S N 5.375 120.893 115.700 -0.303 0.000 2.565 189 S HA 0.119 4.594 4.470 0.008 0.000 0.274 189 S C -1.701 172.835 174.600 -0.106 0.000 1.309 189 S CA -1.416 56.712 58.200 -0.121 0.000 1.043 189 S CB 1.346 64.525 63.200 -0.034 0.000 0.939 189 S HN 0.583 nan 8.310 nan 0.000 0.504 190 P HA -0.085 nan 4.420 nan 0.000 0.215 190 P C 0.216 177.492 177.300 -0.041 0.000 1.157 190 P CA 1.265 64.333 63.100 -0.052 0.000 0.874 190 P CB 0.213 31.896 31.700 -0.028 0.000 0.790 191 E N -0.757 119.440 120.200 -0.005 0.000 2.212 191 E HA 0.311 4.665 4.350 0.008 0.000 0.270 191 E C -2.276 174.357 176.600 0.056 0.000 0.956 191 E CA -2.311 54.103 56.400 0.023 0.000 0.825 191 E CB 0.791 30.530 29.700 0.065 0.000 1.167 191 E HN 0.099 nan 8.360 nan 0.000 0.400 192 P HA 0.112 nan 4.420 nan 0.000 0.279 192 P C 0.874 178.309 177.300 0.225 0.000 1.252 192 P CA -0.492 62.692 63.100 0.140 0.000 0.811 192 P CB 1.110 32.886 31.700 0.126 0.000 1.035 193 L N 0.967 122.322 121.223 0.220 0.000 2.081 193 L HA -0.093 4.252 4.340 0.008 0.000 0.212 193 L C 1.020 178.123 176.870 0.387 0.000 1.080 193 L CA 1.990 56.964 54.840 0.223 0.000 0.754 193 L CB -0.707 41.377 42.059 0.042 0.000 0.893 193 L HN 0.573 nan 8.230 nan 0.000 0.433 194 H N -3.504 115.754 119.070 0.313 0.000 2.950 194 H HA 0.364 4.925 4.556 0.008 0.000 0.307 194 H C -1.686 173.907 175.328 0.441 0.000 1.403 194 H CA -0.352 55.933 56.048 0.394 0.000 1.145 194 H CB 1.373 31.416 29.762 0.468 0.000 1.844 194 H HN -0.029 nan 8.280 nan 0.000 0.515 195 Y N 0.163 120.308 120.300 -0.258 0.000 2.705 195 Y HA 0.559 5.114 4.550 0.008 0.000 0.332 195 Y C -2.042 173.665 175.900 -0.322 0.000 1.221 195 Y CA -1.001 56.836 58.100 -0.440 0.000 1.059 195 Y CB 1.807 40.076 38.460 -0.319 0.000 1.298 195 Y HN 0.597 nan 8.280 nan 0.000 0.459 196 D N 0.233 120.565 120.400 -0.113 0.000 2.861 196 D HA 0.220 4.864 4.640 0.008 0.000 0.216 196 D C -2.083 174.270 176.300 0.089 0.000 1.323 196 D CA -0.386 53.636 54.000 0.037 0.000 0.917 196 D CB 1.352 42.339 40.800 0.313 0.000 1.582 196 D HN 0.599 nan 8.370 nan 0.000 0.576 197 D N 2.765 123.235 120.400 0.117 0.000 2.343 197 D HA 0.423 5.068 4.640 0.008 0.000 0.255 197 D C 1.304 177.652 176.300 0.078 0.000 1.187 197 D CA 1.050 55.109 54.000 0.097 0.000 0.875 197 D CB 1.566 42.428 40.800 0.103 0.000 1.136 197 D HN 0.762 nan 8.370 nan 0.000 0.469 198 G N 2.071 110.912 108.800 0.070 0.000 2.259 198 G HA2 -0.366 3.599 3.960 0.008 0.000 0.217 198 G HA3 -0.366 3.599 3.960 0.008 0.000 0.217 198 G C 1.305 176.257 174.900 0.088 0.000 1.001 198 G CA 0.547 45.689 45.100 0.069 0.000 0.627 198 G HN 0.532 nan 8.290 nan 0.000 0.501 199 S N 0.618 116.395 115.700 0.128 0.000 2.402 199 S HA 0.400 4.875 4.470 0.008 0.000 0.229 199 S C 2.153 176.866 174.600 0.190 0.000 1.021 199 S CA 1.624 59.938 58.200 0.191 0.000 0.974 199 S CB -0.214 63.237 63.200 0.419 0.000 0.800 199 S HN 2.641 nan 8.310 nan 0.000 0.484 200 G N 1.122 110.003 108.800 0.136 0.000 2.660 200 G HA2 -0.160 3.804 3.960 0.008 0.000 0.215 200 G HA3 -0.160 3.804 3.960 0.008 0.000 0.215 200 G C -0.381 174.613 174.900 0.156 0.000 1.345 200 G CA -0.261 44.913 45.100 0.123 0.000 0.877 200 G HN 0.822 nan 8.290 nan 0.000 0.549 201 M N -0.197 119.503 119.600 0.166 0.000 2.252 201 M HA 0.481 4.966 4.480 0.008 0.000 0.348 201 M C -0.460 176.085 176.300 0.408 0.000 1.334 201 M CA -0.396 55.024 55.300 0.201 0.000 1.071 201 M CB -0.024 32.682 32.600 0.177 0.000 1.763 201 M HN 0.473 nan 8.290 nan 0.000 0.452 202 W N 6.132 127.504 121.300 0.121 0.000 2.228 202 W HA 0.348 5.014 4.660 0.008 0.000 0.364 202 W C -0.075 176.520 176.519 0.126 0.000 0.917 202 W CA -0.766 56.654 57.345 0.123 0.000 1.513 202 W CB -0.635 28.895 29.460 0.116 0.000 1.494 202 W HN 0.652 nan 8.180 nan 0.000 0.346 203 E N 0.587 120.978 120.200 0.318 0.000 2.392 203 E HA 0.129 4.483 4.350 0.008 0.000 0.259 203 E C 0.500 177.191 176.600 0.153 0.000 1.108 203 E CA -0.199 56.339 56.400 0.230 0.000 0.916 203 E CB 0.838 30.686 29.700 0.247 0.000 0.989 203 E HN 0.270 nan 8.360 nan 0.000 0.432 204 C N 2.112 121.493 119.300 0.136 0.000 2.977 204 C HA -0.096 4.369 4.460 0.008 0.000 0.252 204 C C -1.883 173.177 174.990 0.117 0.000 1.310 204 C CA -0.723 58.359 59.018 0.106 0.000 2.393 204 C CB -2.566 25.202 27.740 0.046 0.000 1.512 204 C HN 0.515 nan 8.230 nan 0.000 0.453 205 P HA 0.441 nan 4.420 nan 0.000 0.274 205 P C -0.288 177.129 177.300 0.194 0.000 1.231 205 P CA 0.615 63.809 63.100 0.156 0.000 0.790 205 P CB 0.967 32.792 31.700 0.208 0.000 0.951 206 D N 0.585 121.103 120.400 0.197 0.000 2.857 206 D HA 0.544 5.189 4.640 0.008 0.000 0.227 206 D C -1.977 174.458 176.300 0.226 0.000 1.192 206 D CA -0.407 53.767 54.000 0.291 0.000 0.857 206 D CB 1.276 42.314 40.800 0.397 0.000 1.645 206 D HN 0.138 nan 8.370 nan 0.000 0.482 207 F N 4.793 124.764 119.950 0.035 0.000 2.831 207 F HA 0.499 5.031 4.527 0.008 0.000 0.346 207 F C -1.850 173.810 175.800 -0.233 0.000 1.224 207 F CA -0.730 57.087 58.000 -0.305 0.000 1.048 207 F CB 0.494 39.243 39.000 -0.418 0.000 1.339 207 F HN 0.228 nan 8.300 nan 0.000 0.514 208 F N 4.986 124.565 119.950 -0.620 0.000 2.643 208 F HA 0.940 5.472 4.527 0.009 0.000 0.314 208 F C -3.182 172.184 175.800 -0.723 0.000 1.096 208 F CA -2.910 54.782 58.000 -0.514 0.000 0.953 208 F CB 1.230 40.095 39.000 -0.225 0.000 1.345 208 F HN 0.074 nan 8.300 nan 0.000 0.468 209 P HA 0.526 nan 4.420 nan 0.000 0.285 209 P C -1.295 175.883 177.300 -0.202 0.000 1.269 209 P CA -0.582 62.076 63.100 -0.736 0.000 0.844 209 P CB 2.251 33.522 31.700 -0.716 0.000 1.094 210 V N -2.525 117.266 119.914 -0.205 0.000 2.760 210 V HA 0.550 4.675 4.120 0.008 0.000 0.309 210 V C -0.073 175.969 176.094 -0.087 0.000 1.077 210 V CA -0.729 61.542 62.300 -0.047 0.000 0.910 210 V CB 1.230 33.081 31.823 0.046 0.000 1.008 210 V HN 0.581 nan 8.190 nan 0.000 0.424 211 T N 2.184 116.692 114.554 -0.076 0.000 2.901 211 T HA 0.238 4.593 4.350 0.008 0.000 0.301 211 T C 1.062 175.660 174.700 -0.171 0.000 1.012 211 T CA 0.289 62.291 62.100 -0.162 0.000 1.135 211 T CB 0.832 69.590 68.868 -0.183 0.000 0.936 211 T HN 0.968 nan 8.240 nan 0.000 0.539 212 R N 3.241 123.559 120.500 -0.305 0.000 2.120 212 R HA 0.072 4.417 4.340 0.008 0.000 0.234 212 R C -0.093 176.200 176.300 -0.012 0.000 1.123 212 R CA 1.427 57.432 56.100 -0.157 0.000 0.975 212 R CB -0.417 29.813 30.300 -0.117 0.000 0.866 212 R HN 0.661 nan 8.270 nan 0.000 0.446 213 F N -2.925 117.064 119.950 0.065 0.000 2.596 213 F HA 0.728 5.260 4.527 0.008 0.000 0.311 213 F C -0.097 175.724 175.800 0.035 0.000 1.116 213 F CA -0.845 57.191 58.000 0.061 0.000 0.957 213 F CB 1.365 40.393 39.000 0.047 0.000 1.250 213 F HN 0.205 nan 8.300 nan 0.000 0.444 214 G N 1.244 110.157 108.800 0.190 0.000 2.497 214 G HA2 0.341 4.306 3.960 0.008 0.000 0.686 214 G HA3 0.341 4.306 3.960 0.008 0.000 0.686 214 G C -0.107 174.747 174.900 -0.076 0.000 1.288 214 G CA -0.293 44.826 45.100 0.032 0.000 0.899 214 G HN 1.793 nan 8.290 nan 0.000 0.608 215 S N -0.678 114.848 115.700 -0.290 0.000 2.559 215 S HA 0.267 4.742 4.470 0.008 0.000 0.226 215 S C 0.548 174.965 174.600 -0.304 0.000 1.000 215 S CA 0.286 58.103 58.200 -0.638 0.000 0.948 215 S CB 0.168 62.544 63.200 -1.374 0.000 0.870 215 S HN 0.660 nan 8.310 nan 0.000 0.497 216 N N 2.525 121.133 118.700 -0.153 0.000 2.503 216 N HA 0.467 5.212 4.740 0.008 0.000 0.267 216 N C 0.348 175.874 175.510 0.027 0.000 1.214 216 N CA 0.415 53.425 53.050 -0.066 0.000 0.959 216 N CB 0.763 39.227 38.487 -0.038 0.000 1.142 216 N HN 0.457 nan 8.380 nan 0.000 0.455 217 G N -0.375 108.473 108.800 0.081 0.000 2.503 217 G HA2 0.408 4.372 3.960 0.008 0.000 0.257 217 G HA3 0.408 4.372 3.960 0.008 0.000 0.257 217 G C -0.492 174.567 174.900 0.265 0.000 1.214 217 G CA -0.333 44.881 45.100 0.189 0.000 0.839 217 G HN 0.324 nan 8.290 nan 0.000 0.559 218 V N 1.547 121.518 119.914 0.095 0.000 2.495 218 V HA 0.270 4.395 4.120 0.008 0.000 0.298 218 V C 0.308 176.088 176.094 -0.523 0.000 1.031 218 V CA -1.075 61.143 62.300 -0.137 0.000 0.871 218 V CB 1.694 33.433 31.823 -0.139 0.000 0.988 218 V HN 0.783 nan 8.190 nan 0.000 0.432 219 E N 2.150 121.811 120.200 -0.898 0.000 2.452 219 E HA -0.007 4.348 4.350 0.008 0.000 0.261 219 E C 1.060 177.385 176.600 -0.460 0.000 0.987 219 E CA 0.349 56.088 56.400 -1.102 0.000 0.926 219 E CB 1.345 30.619 29.700 -0.710 0.000 0.934 219 E HN 0.800 nan 8.360 nan 0.000 0.452 220 T N 2.583 116.980 114.554 -0.261 0.000 2.803 220 T HA -0.115 4.240 4.350 0.008 0.000 0.269 220 T C 1.512 176.214 174.700 0.005 0.000 1.052 220 T CA 1.620 63.699 62.100 -0.035 0.000 1.136 220 T CB 0.087 69.067 68.868 0.187 0.000 0.864 220 T HN 0.287 nan 8.240 nan 0.000 0.467 221 S N 0.793 116.492 115.700 -0.003 0.000 2.528 221 S HA 0.177 4.652 4.470 0.008 0.000 0.219 221 S C 1.037 175.402 174.600 -0.392 0.000 0.985 221 S CA -0.285 57.881 58.200 -0.056 0.000 0.914 221 S CB 0.035 63.226 63.200 -0.015 0.000 0.776 221 S HN 0.449 nan 8.310 nan 0.000 0.526 222 S N 1.453 116.965 115.700 -0.314 0.000 2.558 222 S HA 0.233 4.708 4.470 0.008 0.000 0.288 222 S C -0.375 174.016 174.600 -0.349 0.000 1.318 222 S CA -0.187 57.827 58.200 -0.311 0.000 1.056 222 S CB -0.125 62.958 63.200 -0.196 0.000 0.853 222 S HN 0.172 nan 8.310 nan 0.000 0.505 223 F N 1.946 121.922 119.950 0.044 0.000 2.399 223 F HA 0.503 5.035 4.527 0.009 0.000 0.328 223 F C 1.278 177.097 175.800 0.031 0.000 1.084 223 F CA -0.645 57.389 58.000 0.057 0.000 1.053 223 F CB 0.773 39.801 39.000 0.047 0.000 1.209 223 F HN 0.645 nan 8.300 nan 0.000 0.502 224 G N 1.698 110.644 108.800 0.243 0.000 2.394 224 G HA2 0.375 4.340 3.960 0.008 0.000 0.298 224 G HA3 0.375 4.340 3.960 0.008 0.000 0.298 224 G C -0.357 174.614 174.900 0.118 0.000 1.087 224 G CA -0.467 44.711 45.100 0.130 0.000 1.035 224 G HN 0.630 nan 8.290 nan 0.000 0.420 225 E N 3.150 123.405 120.200 0.091 0.000 2.416 225 E HA 0.119 4.474 4.350 0.008 0.000 0.254 225 E C -1.403 175.231 176.600 0.057 0.000 1.241 225 E CA -1.019 55.423 56.400 0.070 0.000 0.969 225 E CB 0.585 30.321 29.700 0.061 0.000 0.999 225 E HN 0.215 nan 8.360 nan 0.000 0.481 226 P HA -0.072 nan 4.420 nan 0.000 0.239 226 P C -0.065 177.269 177.300 0.057 0.000 1.184 226 P CA 0.896 64.023 63.100 0.045 0.000 0.760 226 P CB 0.078 31.798 31.700 0.033 0.000 0.884 227 N N -2.070 116.668 118.700 0.063 0.000 2.171 227 N HA 0.044 4.789 4.740 0.008 0.000 0.212 227 N C 0.061 175.630 175.510 0.098 0.000 1.184 227 N CA 0.243 53.342 53.050 0.081 0.000 0.888 227 N CB 0.525 39.055 38.487 0.071 0.000 1.038 227 N HN -0.017 nan 8.380 nan 0.000 0.517 228 E N 1.200 121.437 120.200 0.062 0.000 2.199 228 E HA 0.412 4.767 4.350 0.008 0.000 0.265 228 E C -0.973 175.619 176.600 -0.014 0.000 0.882 228 E CA -0.521 55.883 56.400 0.006 0.000 0.759 228 E CB 2.226 31.922 29.700 -0.007 0.000 1.148 228 E HN 0.171 nan 8.360 nan 0.000 0.412 229 I N 5.608 126.122 120.570 -0.093 0.000 2.307 229 I HA 0.270 4.445 4.170 0.008 0.000 0.289 229 I C -0.107 175.937 176.117 -0.121 0.000 1.021 229 I CA -0.454 60.812 61.300 -0.056 0.000 1.224 229 I CB 0.713 38.728 38.000 0.025 0.000 1.376 229 I HN 0.240 nan 8.210 nan 0.000 0.470 230 L N 6.984 128.180 121.223 -0.045 0.000 2.334 230 L HA 0.557 4.902 4.340 0.008 0.000 0.275 230 L C -0.001 176.869 176.870 0.000 0.000 1.036 230 L CA -0.872 53.932 54.840 -0.060 0.000 0.807 230 L CB 1.267 43.292 42.059 -0.056 0.000 1.231 230 L HN 0.438 nan 8.230 nan 0.000 0.438 231 K N 0.469 120.847 120.400 -0.037 0.000 2.306 231 K HA 0.571 4.896 4.320 0.008 0.000 0.236 231 K C -1.184 175.356 176.600 -0.100 0.000 1.013 231 K CA -1.005 55.294 56.287 0.020 0.000 0.857 231 K CB 1.907 34.422 32.500 0.025 0.000 1.214 231 K HN 0.438 nan 8.250 nan 0.000 0.449 232 H N -0.828 118.204 119.070 -0.065 0.000 2.524 232 H HA 0.419 4.980 4.556 0.008 0.000 0.353 232 H C -0.894 174.236 175.328 -0.330 0.000 1.136 232 H CA -0.559 55.317 56.048 -0.287 0.000 1.193 232 H CB 1.650 31.234 29.762 -0.296 0.000 1.558 232 H HN 0.045 nan 8.280 nan 0.000 0.515 233 V N 4.154 123.636 119.914 -0.720 0.000 2.398 233 V HA 0.177 4.302 4.120 0.008 0.000 0.286 233 V C -0.634 174.891 176.094 -0.948 0.000 1.026 233 V CA -0.752 61.076 62.300 -0.787 0.000 0.868 233 V CB 1.395 32.573 31.823 -1.075 0.000 0.982 233 V HN 0.444 nan 8.190 nan 0.000 0.443 234 L N 6.250 127.013 121.223 -0.768 0.000 2.272 234 L HA 0.582 4.927 4.340 0.008 0.000 0.289 234 L C -0.235 176.448 176.870 -0.313 0.000 1.032 234 L CA 0.188 54.684 54.840 -0.574 0.000 0.810 234 L CB 0.925 42.464 42.059 -0.867 0.000 1.205 234 L HN 0.589 nan 8.230 nan 0.000 0.422 235 K N 6.909 127.202 120.400 -0.177 0.000 2.207 235 K HA 0.628 4.953 4.320 0.008 0.000 0.255 235 K C -1.331 175.209 176.600 -0.099 0.000 0.941 235 K CA -0.634 55.606 56.287 -0.078 0.000 0.825 235 K CB 1.557 34.114 32.500 0.096 0.000 1.119 235 K HN 0.791 nan 8.250 nan 0.000 0.430 236 I N -0.914 119.566 120.570 -0.150 0.000 2.802 236 I HA 0.383 4.558 4.170 0.008 0.000 0.298 236 I C -0.800 175.280 176.117 -0.062 0.000 1.176 236 I CA -0.748 60.443 61.300 -0.182 0.000 1.025 236 I CB 2.387 40.012 38.000 -0.625 0.000 1.243 236 I HN 0.252 nan 8.210 nan 0.000 0.424 237 S N 5.638 121.310 115.700 -0.046 0.000 2.442 237 S HA 0.600 5.074 4.470 0.008 0.000 0.297 237 S C -0.325 174.361 174.600 0.144 0.000 1.131 237 S CA -0.619 57.505 58.200 -0.126 0.000 1.092 237 S CB 1.091 63.943 63.200 -0.580 0.000 0.998 237 S HN 0.420 nan 8.310 nan 0.000 0.478 238 L N 3.302 124.726 121.223 0.335 0.000 2.262 238 L HA 0.280 4.625 4.340 0.008 0.000 0.288 238 L C 0.942 178.056 176.870 0.407 0.000 1.035 238 L CA -0.630 54.437 54.840 0.379 0.000 0.820 238 L CB 0.919 43.189 42.059 0.352 0.000 1.204 238 L HN 0.573 nan 8.230 nan 0.000 0.424 239 D N 1.534 122.134 120.400 0.333 0.000 2.200 239 D HA -0.276 4.369 4.640 0.008 0.000 0.192 239 D C 1.474 177.841 176.300 0.111 0.000 1.008 239 D CA 1.797 55.914 54.000 0.195 0.000 0.872 239 D CB 0.258 41.154 40.800 0.159 0.000 0.923 239 D HN 0.652 nan 8.370 nan 0.000 0.447 240 D N -1.473 119.010 120.400 0.138 0.000 2.097 240 D HA -0.087 4.558 4.640 0.008 0.000 0.197 240 D C 1.822 178.156 176.300 0.057 0.000 0.984 240 D CA 2.207 56.262 54.000 0.093 0.000 0.826 240 D CB -0.010 40.856 40.800 0.110 0.000 0.973 240 D HN 0.338 nan 8.370 nan 0.000 0.460 241 T N -3.699 110.904 114.554 0.081 0.000 3.010 241 T HA 0.165 4.520 4.350 0.008 0.000 0.257 241 T C 0.398 174.873 174.700 -0.374 0.000 1.020 241 T CA -0.310 61.779 62.100 -0.019 0.000 0.938 241 T CB 0.286 69.296 68.868 0.238 0.000 1.049 241 T HN -0.044 nan 8.240 nan 0.000 0.522 242 K N 1.017 121.305 120.400 -0.187 0.000 3.117 242 K HA -0.168 4.157 4.320 0.008 0.000 0.269 242 K C -0.791 175.700 176.600 -0.181 0.000 1.098 242 K CA 0.863 56.953 56.287 -0.329 0.000 0.785 242 K CB -2.952 29.274 32.500 -0.456 0.000 1.242 242 K HN 0.811 nan 8.250 nan 0.000 0.491 243 H N -0.742 118.536 119.070 0.346 0.000 2.865 243 H HA 0.458 5.019 4.556 0.008 0.000 0.372 243 H C -0.621 174.663 175.328 -0.073 0.000 1.173 243 H CA -1.191 54.895 56.048 0.063 0.000 1.147 243 H CB 1.550 31.131 29.762 -0.302 0.000 1.805 243 H HN -0.130 nan 8.280 nan 0.000 0.553 244 D N 1.069 121.401 120.400 -0.115 0.000 2.198 244 D HA 0.207 4.852 4.640 0.008 0.000 0.245 244 D C -0.882 175.133 176.300 -0.474 0.000 1.079 244 D CA -0.037 53.862 54.000 -0.168 0.000 0.854 244 D CB 0.844 41.693 40.800 0.081 0.000 1.148 244 D HN 0.299 nan 8.370 nan 0.000 0.456 245 Y N 0.994 121.213 120.300 -0.136 0.000 2.562 245 Y HA 0.516 5.071 4.550 0.009 0.000 0.343 245 Y C -0.224 175.530 175.900 -0.244 0.000 1.025 245 Y CA -1.254 56.711 58.100 -0.224 0.000 1.082 245 Y CB 1.403 39.757 38.460 -0.177 0.000 1.264 245 Y HN 0.322 nan 8.280 nan 0.000 0.478 246 Y N -1.647 118.533 120.300 -0.199 0.000 2.588 246 Y HA 0.852 5.407 4.550 0.008 0.000 0.343 246 Y C -0.944 174.845 175.900 -0.185 0.000 1.065 246 Y CA -1.393 56.546 58.100 -0.269 0.000 1.038 246 Y CB 1.528 39.736 38.460 -0.419 0.000 1.297 246 Y HN 0.581 nan 8.280 nan 0.000 0.467 247 T N 0.687 115.186 114.554 -0.091 0.000 2.893 247 T HA 0.747 5.102 4.350 0.008 0.000 0.291 247 T C -0.835 173.738 174.700 -0.212 0.000 1.028 247 T CA -0.727 61.205 62.100 -0.281 0.000 0.995 247 T CB 1.546 70.385 68.868 -0.050 0.000 1.051 247 T HN 0.737 nan 8.240 nan 0.000 0.470 248 I N 1.738 121.913 120.570 -0.658 0.000 2.392 248 I HA 0.712 4.886 4.170 0.008 0.000 0.295 248 I C 0.873 176.904 176.117 -0.143 0.000 0.985 248 I CA -0.394 60.742 61.300 -0.273 0.000 1.221 248 I CB 1.442 39.297 38.000 -0.242 0.000 1.366 248 I HN 1.061 nan 8.210 nan 0.000 0.467 249 G N 3.200 112.065 108.800 0.108 0.000 2.650 249 G HA2 0.590 4.555 3.960 0.008 0.000 0.310 249 G HA3 0.590 4.555 3.960 0.008 0.000 0.310 249 G C -1.124 173.785 174.900 0.016 0.000 1.270 249 G CA -0.399 44.622 45.100 -0.133 0.000 0.810 249 G HN 0.530 nan 8.290 nan 0.000 0.493 250 T N -2.515 111.961 114.554 -0.129 0.000 2.888 250 T HA 0.570 4.925 4.350 0.008 0.000 0.284 250 T C -1.339 173.434 174.700 0.121 0.000 1.017 250 T CA -0.627 61.510 62.100 0.062 0.000 1.022 250 T CB 2.064 70.952 68.868 0.034 0.000 1.013 250 T HN 0.768 nan 8.240 nan 0.000 0.465 251 Y N 2.635 122.961 120.300 0.043 0.000 2.504 251 Y HA 0.360 4.915 4.550 0.008 0.000 0.339 251 Y C -0.241 175.686 175.900 0.044 0.000 0.974 251 Y CA -2.035 56.087 58.100 0.035 0.000 1.232 251 Y CB 0.246 38.477 38.460 -0.381 0.000 1.108 251 Y HN 0.807 nan 8.280 nan 0.000 0.509 252 D N 5.941 126.420 120.400 0.132 0.000 2.359 252 D HA 0.076 4.721 4.640 0.008 0.000 0.250 252 D C 0.775 176.978 176.300 -0.161 0.000 1.264 252 D CA 0.143 54.134 54.000 -0.015 0.000 0.911 252 D CB 0.646 41.475 40.800 0.047 0.000 1.056 252 D HN 0.696 nan 8.370 nan 0.000 0.499 253 R N 2.620 122.925 120.500 -0.324 0.000 2.236 253 R HA -0.014 4.331 4.340 0.008 0.000 0.208 253 R C 1.665 177.906 176.300 -0.099 0.000 1.036 253 R CA 0.297 56.181 56.100 -0.361 0.000 1.001 253 R CB 0.119 30.245 30.300 -0.290 0.000 0.896 253 R HN 0.338 nan 8.270 nan 0.000 0.464 254 V N 1.397 121.281 119.914 -0.050 0.000 2.255 254 V HA -0.192 3.932 4.120 0.008 0.000 0.243 254 V C 2.060 178.170 176.094 0.028 0.000 1.038 254 V CA 1.637 63.934 62.300 -0.005 0.000 1.008 254 V CB -0.305 31.518 31.823 -0.002 0.000 0.645 254 V HN 0.215 nan 8.190 nan 0.000 0.449 255 K N -0.734 119.693 120.400 0.044 0.000 2.365 255 K HA -0.085 4.240 4.320 0.008 0.000 0.199 255 K C 0.603 177.276 176.600 0.122 0.000 1.045 255 K CA 0.765 57.099 56.287 0.078 0.000 0.962 255 K CB -0.050 32.502 32.500 0.087 0.000 0.759 255 K HN 0.392 nan 8.250 nan 0.000 0.469 256 D N 0.856 121.343 120.400 0.145 0.000 2.746 256 D HA -0.146 4.499 4.640 0.008 0.000 0.236 256 D C -1.052 175.458 176.300 0.350 0.000 1.129 256 D CA 1.114 55.282 54.000 0.280 0.000 0.691 256 D CB -0.789 40.153 40.800 0.236 0.000 1.077 256 D HN 0.210 nan 8.370 nan 0.000 0.432 257 K N -0.320 120.285 120.400 0.340 0.000 2.400 257 K HA 0.576 4.900 4.320 0.008 0.000 0.246 257 K C -0.488 176.347 176.600 0.392 0.000 0.995 257 K CA -0.952 55.527 56.287 0.320 0.000 0.840 257 K CB 1.502 34.143 32.500 0.235 0.000 1.293 257 K HN 0.009 nan 8.250 nan 0.000 0.445 258 F N 1.660 121.689 119.950 0.132 0.000 2.427 258 F HA 0.391 4.923 4.527 0.008 0.000 0.346 258 F C -0.975 174.755 175.800 -0.118 0.000 1.120 258 F CA -0.722 57.306 58.000 0.047 0.000 1.033 258 F CB 1.115 40.107 39.000 -0.013 0.000 1.126 258 F HN 0.067 nan 8.300 nan 0.000 0.462 259 V N 7.725 127.185 119.914 -0.755 0.000 2.326 259 V HA 0.357 4.482 4.120 0.008 0.000 0.281 259 V C -2.295 173.263 176.094 -0.894 0.000 1.015 259 V CA -1.961 59.967 62.300 -0.621 0.000 0.823 259 V CB 0.937 32.608 31.823 -0.253 0.000 1.009 259 V HN 0.633 nan 8.190 nan 0.000 0.436 260 P HA 0.147 nan 4.420 nan 0.000 0.269 260 P C -0.281 176.945 177.300 -0.123 0.000 1.209 260 P CA -0.165 62.668 63.100 -0.446 0.000 0.776 260 P CB 0.504 32.161 31.700 -0.071 0.000 0.876 261 D N 0.945 121.368 120.400 0.037 0.000 2.419 261 D HA -0.062 4.583 4.640 0.008 0.000 0.236 261 D C 0.686 177.126 176.300 0.233 0.000 1.165 261 D CA 0.390 54.498 54.000 0.181 0.000 0.882 261 D CB -0.050 40.935 40.800 0.310 0.000 1.201 261 D HN 0.355 nan 8.370 nan 0.000 0.443 262 N N 0.170 118.937 118.700 0.112 0.000 2.357 262 N HA 0.062 4.807 4.740 0.008 0.000 0.257 262 N C 1.090 176.593 175.510 -0.011 0.000 1.250 262 N CA 0.741 53.821 53.050 0.050 0.000 0.862 262 N CB 0.283 38.784 38.487 0.023 0.000 1.066 262 N HN 0.566 nan 8.380 nan 0.000 0.468 263 G N 3.018 111.794 108.800 -0.040 0.000 2.308 263 G HA2 -0.265 3.700 3.960 0.008 0.000 0.221 263 G HA3 -0.265 3.700 3.960 0.008 0.000 0.221 263 G C 0.008 174.802 174.900 -0.177 0.000 1.032 263 G CA -0.406 44.602 45.100 -0.153 0.000 0.623 263 G HN 0.550 nan 8.290 nan 0.000 0.506 264 F N 1.773 121.733 119.950 0.016 0.000 2.429 264 F HA 0.635 5.167 4.527 0.008 0.000 0.348 264 F C 0.776 176.598 175.800 0.036 0.000 1.109 264 F CA 0.284 58.298 58.000 0.023 0.000 1.232 264 F CB 1.331 40.350 39.000 0.031 0.000 1.157 264 F HN 0.049 nan 8.300 nan 0.000 0.564 265 K N 2.917 123.468 120.400 0.252 0.000 2.468 265 K HA 0.407 4.732 4.320 0.008 0.000 0.252 265 K C -0.944 175.760 176.600 0.173 0.000 0.932 265 K CA -1.079 55.321 56.287 0.189 0.000 0.794 265 K CB 1.666 34.233 32.500 0.111 0.000 1.241 265 K HN 0.571 nan 8.250 nan 0.000 0.428 266 M N 5.094 124.822 119.600 0.214 0.000 3.596 266 M HA 0.104 4.589 4.480 0.008 0.000 0.219 266 M C -1.173 175.147 176.300 0.034 0.000 1.471 266 M CA 0.295 55.668 55.300 0.121 0.000 1.644 266 M CB -0.792 31.954 32.600 0.244 0.000 1.083 266 M HN 0.617 nan 8.290 nan 0.000 0.579 267 D N -0.575 119.785 120.400 -0.066 0.000 3.009 267 D HA 0.375 5.020 4.640 0.008 0.000 0.318 267 D C 0.909 176.922 176.300 -0.480 0.000 1.273 267 D CA -0.127 53.780 54.000 -0.156 0.000 1.001 267 D CB -0.265 40.526 40.800 -0.015 0.000 1.411 267 D HN 0.115 nan 8.370 nan 0.000 0.577 268 G N -0.932 107.600 108.800 -0.447 0.000 2.479 268 G HA2 -0.167 3.798 3.960 0.008 0.000 0.220 268 G HA3 -0.167 3.798 3.960 0.008 0.000 0.220 268 G C 1.258 176.045 174.900 -0.187 0.000 1.115 268 G CA 1.791 46.566 45.100 -0.541 0.000 0.757 268 G HN 0.708 nan 8.290 nan 0.000 0.560 269 T N -1.948 112.555 114.554 -0.085 0.000 3.129 269 T HA 0.581 4.936 4.350 0.008 0.000 0.251 269 T C 1.193 175.938 174.700 0.075 0.000 1.117 269 T CA 0.507 62.627 62.100 0.034 0.000 1.034 269 T CB 0.134 69.022 68.868 0.032 0.000 0.968 269 T HN 0.352 nan 8.240 nan 0.000 0.526 270 A N 3.033 125.886 122.820 0.055 0.000 2.313 270 A HA 0.624 4.949 4.320 0.008 0.000 0.261 270 A C -1.981 175.682 177.584 0.132 0.000 1.090 270 A CA -1.653 50.450 52.037 0.111 0.000 0.807 270 A CB 0.039 19.067 19.000 0.046 0.000 1.055 270 A HN 0.348 nan 8.150 nan 0.000 0.492 271 P HA 0.318 nan 4.420 nan 0.000 0.274 271 P C -0.811 176.239 177.300 -0.416 0.000 1.256 271 P CA -0.098 62.909 63.100 -0.156 0.000 0.795 271 P CB 0.604 32.136 31.700 -0.279 0.000 1.038 272 R N -0.425 119.797 120.500 -0.463 0.000 2.854 272 R HA 0.345 4.690 4.340 0.008 0.000 0.271 272 R C 1.013 177.177 176.300 -0.226 0.000 0.996 272 R CA -0.613 55.115 56.100 -0.619 0.000 0.961 272 R CB 0.524 30.141 30.300 -1.138 0.000 1.182 272 R HN 0.353 nan 8.270 nan 0.000 0.479 273 Y N 0.072 120.342 120.300 -0.049 0.000 2.145 273 Y HA -0.119 4.436 4.550 0.009 0.000 0.286 273 Y C 0.881 176.572 175.900 -0.349 0.000 1.145 273 Y CA 1.315 59.344 58.100 -0.119 0.000 1.148 273 Y CB 0.177 38.524 38.460 -0.188 0.000 0.981 273 Y HN 0.451 nan 8.280 nan 0.000 0.507 274 D N -2.437 117.719 120.400 -0.407 0.000 2.879 274 D HA 0.125 4.769 4.640 0.008 0.000 0.236 274 D C -1.157 174.821 176.300 -0.537 0.000 1.171 274 D CA -0.581 53.136 54.000 -0.471 0.000 0.868 274 D CB 1.182 41.512 40.800 -0.784 0.000 1.598 274 D HN 0.040 nan 8.370 nan 0.000 0.497 275 Y N 0.947 121.056 120.300 -0.319 0.000 2.555 275 Y HA 0.314 4.868 4.550 0.008 0.000 0.259 275 Y C 1.351 176.948 175.900 -0.505 0.000 1.179 275 Y CA -0.271 57.621 58.100 -0.348 0.000 1.230 275 Y CB 1.478 39.793 38.460 -0.242 0.000 1.146 275 Y HN 0.417 nan 8.280 nan 0.000 0.526 276 G N -0.037 108.425 108.800 -0.564 0.000 3.410 276 G HA2 0.234 4.198 3.960 0.008 0.000 0.189 276 G HA3 0.234 4.198 3.960 0.008 0.000 0.189 276 G C -0.915 173.488 174.900 -0.828 0.000 1.404 276 G CA -0.578 43.731 45.100 -1.319 0.000 0.898 276 G HN -0.081 nan 8.290 nan 0.000 0.650 277 K N -0.195 119.882 120.400 -0.539 0.000 2.268 277 K HA 0.572 4.897 4.320 0.008 0.000 0.276 277 K C -2.088 174.482 176.600 -0.051 0.000 1.080 277 K CA -0.578 55.579 56.287 -0.216 0.000 0.910 277 K CB 0.098 32.520 32.500 -0.130 0.000 1.163 277 K HN 0.413 nan 8.250 nan 0.000 0.465 278 Y N 3.885 124.080 120.300 -0.174 0.000 2.294 278 Y HA 0.313 4.867 4.550 0.007 0.000 0.316 278 Y C -2.246 173.683 175.900 0.049 0.000 1.265 278 Y CA -0.803 57.244 58.100 -0.088 0.000 1.149 278 Y CB 0.787 39.194 38.460 -0.088 0.000 1.293 278 Y HN 0.626 nan 8.280 nan 0.000 0.416 279 Y N 3.696 123.817 120.300 -0.298 0.000 2.638 279 Y HA 0.581 5.135 4.550 0.008 0.000 0.335 279 Y C 0.174 176.125 175.900 0.084 0.000 1.155 279 Y CA -0.366 57.698 58.100 -0.060 0.000 1.046 279 Y CB 2.158 40.558 38.460 -0.100 0.000 1.303 279 Y HN 0.965 nan 8.280 nan 0.000 0.460 280 A N 1.692 124.335 122.820 -0.295 0.000 2.832 280 A HA -0.164 4.161 4.320 0.008 0.000 0.280 280 A C 0.141 177.741 177.584 0.026 0.000 1.464 280 A CA 0.976 52.987 52.037 -0.043 0.000 0.804 280 A CB -2.474 16.709 19.000 0.307 0.000 1.020 280 A HN 1.471 nan 8.150 nan 0.000 0.563 281 S N -0.832 114.872 115.700 0.008 0.000 2.565 281 S HA 0.620 5.095 4.470 0.008 0.000 0.276 281 S C -0.254 174.446 174.600 0.166 0.000 1.326 281 S CA 0.312 58.557 58.200 0.076 0.000 1.045 281 S CB 1.744 65.049 63.200 0.176 0.000 0.918 281 S HN 0.874 nan 8.310 nan 0.000 0.505 282 K N 1.035 121.543 120.400 0.180 0.000 2.464 282 K HA 0.493 4.818 4.320 0.008 0.000 0.253 282 K C -0.692 176.050 176.600 0.237 0.000 0.933 282 K CA -0.524 55.891 56.287 0.213 0.000 0.801 282 K CB 2.005 34.617 32.500 0.186 0.000 1.271 282 K HN 0.918 nan 8.250 nan 0.000 0.430 283 T N -0.224 114.443 114.554 0.188 0.000 2.952 283 T HA 0.743 5.098 4.350 0.008 0.000 0.286 283 T C -0.411 174.474 174.700 0.307 0.000 1.024 283 T CA -0.733 61.431 62.100 0.106 0.000 1.029 283 T CB 0.688 69.373 68.868 -0.305 0.000 1.094 283 T HN 0.485 nan 8.240 nan 0.000 0.515 284 F N -0.513 119.498 119.950 0.102 0.000 2.631 284 F HA 0.729 5.260 4.527 0.007 0.000 0.308 284 F C -1.620 174.303 175.800 0.205 0.000 1.097 284 F CA -2.058 56.061 58.000 0.198 0.000 0.952 284 F CB 1.249 40.417 39.000 0.280 0.000 1.307 284 F HN 0.605 nan 8.300 nan 0.000 0.450 285 F N 3.383 123.341 119.950 0.014 0.000 2.438 285 F HA 0.284 4.816 4.527 0.009 0.000 0.360 285 F C 0.203 175.955 175.800 -0.080 0.000 1.118 285 F CA -0.559 57.382 58.000 -0.099 0.000 1.164 285 F CB 0.149 39.183 39.000 0.057 0.000 1.131 285 F HN 0.604 nan 8.300 nan 0.000 0.527 286 D N 3.847 123.777 120.400 -0.784 0.000 2.435 286 D HA 0.047 4.692 4.640 0.008 0.000 0.230 286 D C 1.077 176.910 176.300 -0.778 0.000 1.215 286 D CA 0.204 53.918 54.000 -0.478 0.000 0.947 286 D CB 0.658 41.272 40.800 -0.311 0.000 1.048 286 D HN 0.548 nan 8.370 nan 0.000 0.512 287 S N 2.414 117.761 115.700 -0.589 0.000 2.447 287 S HA -0.105 4.370 4.470 0.008 0.000 0.233 287 S C 1.979 176.471 174.600 -0.180 0.000 1.006 287 S CA 0.495 58.444 58.200 -0.419 0.000 0.957 287 S CB -0.027 63.192 63.200 0.032 0.000 0.773 287 S HN 0.406 nan 8.310 nan 0.000 0.507 288 A N 2.183 124.929 122.820 -0.122 0.000 1.898 288 A HA 0.074 4.399 4.320 0.008 0.000 0.216 288 A C 1.986 179.531 177.584 -0.065 0.000 1.181 288 A CA 1.218 53.214 52.037 -0.069 0.000 0.620 288 A CB -0.241 18.725 19.000 -0.056 0.000 0.819 288 A HN 0.560 nan 8.150 nan 0.000 0.442 289 K N -1.525 118.821 120.400 -0.091 0.000 2.536 289 K HA 0.202 4.527 4.320 0.008 0.000 0.203 289 K C -0.568 175.949 176.600 -0.138 0.000 1.063 289 K CA -0.170 56.065 56.287 -0.087 0.000 1.063 289 K CB 0.309 32.780 32.500 -0.050 0.000 0.843 289 K HN 0.431 nan 8.250 nan 0.000 0.521 290 N N 2.757 121.325 118.700 -0.219 0.000 2.667 290 N HA -0.222 4.523 4.740 0.008 0.000 0.263 290 N C -1.398 174.011 175.510 -0.167 0.000 1.038 290 N CA 0.857 53.785 53.050 -0.205 0.000 0.749 290 N CB -0.506 37.963 38.487 -0.030 0.000 0.892 290 N HN 0.413 nan 8.380 nan 0.000 0.546 291 R N -1.023 119.302 120.500 -0.291 0.000 2.668 291 R HA 0.535 4.880 4.340 0.008 0.000 0.272 291 R C -0.942 175.209 176.300 -0.248 0.000 1.019 291 R CA -1.136 54.853 56.100 -0.184 0.000 0.894 291 R CB 1.501 31.702 30.300 -0.165 0.000 1.228 291 R HN 0.138 nan 8.270 nan 0.000 0.460 292 R N 2.717 123.137 120.500 -0.134 0.000 2.221 292 R HA 0.418 4.763 4.340 0.008 0.000 0.327 292 R C -0.787 175.325 176.300 -0.313 0.000 1.033 292 R CA -0.300 55.663 56.100 -0.228 0.000 0.887 292 R CB 0.725 30.895 30.300 -0.217 0.000 1.057 292 R HN 0.650 nan 8.270 nan 0.000 0.455 293 I N 4.713 124.997 120.570 -0.476 0.000 2.493 293 I HA 0.300 4.475 4.170 0.008 0.000 0.298 293 I C -0.931 175.042 176.117 -0.240 0.000 0.998 293 I CA -1.221 59.848 61.300 -0.386 0.000 1.137 293 I CB 1.926 39.648 38.000 -0.463 0.000 1.310 293 I HN 0.472 nan 8.210 nan 0.000 0.445 294 L N 5.960 127.030 121.223 -0.255 0.000 2.319 294 L HA 0.484 4.829 4.340 0.008 0.000 0.281 294 L C -1.598 175.170 176.870 -0.169 0.000 1.005 294 L CA -0.060 54.664 54.840 -0.193 0.000 0.828 294 L CB 0.897 42.762 42.059 -0.323 0.000 1.227 294 L HN 0.429 nan 8.230 nan 0.000 0.415 295 W N 3.806 125.120 121.300 0.023 0.000 2.449 295 W HA 0.747 5.411 4.660 0.006 0.000 0.331 295 W C 0.461 176.948 176.519 -0.054 0.000 1.119 295 W CA -0.361 56.987 57.345 0.004 0.000 1.240 295 W CB 2.229 31.678 29.460 -0.018 0.000 1.251 295 W HN 0.735 nan 8.180 nan 0.000 0.576 296 G N 1.806 110.703 108.800 0.163 0.000 2.731 296 G HA2 0.376 4.341 3.960 0.008 0.000 0.298 296 G HA3 0.376 4.341 3.960 0.008 0.000 0.298 296 G C -2.579 172.245 174.900 -0.128 0.000 1.424 296 G CA -0.891 44.016 45.100 -0.321 0.000 1.029 296 G HN 0.455 nan 8.290 nan 0.000 0.518 297 W N 3.084 124.203 121.300 -0.301 0.000 2.331 297 W HA 0.669 5.333 4.660 0.007 0.000 0.306 297 W C -0.612 175.833 176.519 -0.124 0.000 1.162 297 W CA -0.847 56.414 57.345 -0.139 0.000 1.232 297 W CB 1.450 30.867 29.460 -0.071 0.000 1.235 297 W HN 0.376 nan 8.180 nan 0.000 0.479 298 T N 7.991 122.381 114.554 -0.273 0.000 2.788 298 T HA 0.153 4.508 4.350 0.008 0.000 0.296 298 T C 0.245 174.676 174.700 -0.448 0.000 1.009 298 T CA -0.696 61.168 62.100 -0.393 0.000 0.949 298 T CB 0.122 68.922 68.868 -0.114 0.000 0.946 298 T HN 0.514 nan 8.240 nan 0.000 0.453 299 N N 2.730 120.993 118.700 -0.729 0.000 2.379 299 N HA 0.145 4.890 4.740 0.008 0.000 0.260 299 N C -0.206 175.235 175.510 -0.115 0.000 1.254 299 N CA -0.595 52.237 53.050 -0.363 0.000 0.958 299 N CB 0.507 38.737 38.487 -0.429 0.000 1.208 299 N HN 0.268 nan 8.380 nan 0.000 0.532 300 E N -0.353 119.842 120.200 -0.007 0.000 2.398 300 E HA 0.080 4.435 4.350 0.008 0.000 0.263 300 E C -0.006 176.622 176.600 0.047 0.000 1.046 300 E CA 0.038 56.473 56.400 0.059 0.000 0.908 300 E CB 0.468 30.140 29.700 -0.046 0.000 0.963 300 E HN 0.608 nan 8.360 nan 0.000 0.431 301 S N 0.460 116.265 115.700 0.176 0.000 2.540 301 S HA 0.017 4.492 4.470 0.008 0.000 0.218 301 S C 0.677 175.266 174.600 -0.018 0.000 0.977 301 S CA -0.206 58.071 58.200 0.129 0.000 0.918 301 S CB 0.226 63.548 63.200 0.203 0.000 0.806 301 S HN 0.519 nan 8.310 nan 0.000 0.496 302 S N 1.933 117.420 115.700 -0.356 0.000 2.655 302 S HA 0.494 4.969 4.470 0.008 0.000 0.265 302 S C 0.473 174.886 174.600 -0.311 0.000 1.240 302 S CA -0.723 57.107 58.200 -0.617 0.000 0.986 302 S CB 0.730 63.213 63.200 -1.195 0.000 0.985 302 S HN 0.350 nan 8.310 nan 0.000 0.562 303 S N -0.210 115.329 115.700 -0.267 0.000 2.593 303 S HA 0.139 4.614 4.470 0.008 0.000 0.269 303 S C 1.037 175.552 174.600 -0.142 0.000 1.334 303 S CA -0.309 57.796 58.200 -0.159 0.000 1.015 303 S CB 0.862 63.984 63.200 -0.130 0.000 0.912 303 S HN 1.005 nan 8.310 nan 0.000 0.541 304 V N 1.697 121.563 119.914 -0.080 0.000 2.407 304 V HA -0.142 3.983 4.120 0.008 0.000 0.248 304 V C 2.380 178.433 176.094 -0.068 0.000 1.055 304 V CA 2.526 64.796 62.300 -0.050 0.000 1.049 304 V CB -1.142 30.669 31.823 -0.020 0.000 0.662 304 V HN 1.002 nan 8.190 nan 0.000 0.455 305 E N 0.009 120.165 120.200 -0.074 0.000 2.085 305 E HA -0.228 4.127 4.350 0.008 0.000 0.194 305 E C 1.957 178.501 176.600 -0.094 0.000 0.994 305 E CA 1.878 58.235 56.400 -0.071 0.000 0.801 305 E CB -0.218 29.445 29.700 -0.062 0.000 0.743 305 E HN 0.651 nan 8.360 nan 0.000 0.453 306 D N 0.314 120.632 120.400 -0.136 0.000 2.117 306 D HA -0.129 4.516 4.640 0.008 0.000 0.198 306 D C 1.387 177.554 176.300 -0.221 0.000 0.982 306 D CA 0.974 54.868 54.000 -0.176 0.000 0.828 306 D CB -0.319 40.329 40.800 -0.253 0.000 0.967 306 D HN 0.128 nan 8.370 nan 0.000 0.464 307 D N 0.149 120.408 120.400 -0.234 0.000 2.106 307 D HA -0.125 4.520 4.640 0.008 0.000 0.191 307 D C 2.294 178.505 176.300 -0.148 0.000 0.997 307 D CA 0.667 54.523 54.000 -0.239 0.000 0.834 307 D CB -0.495 40.238 40.800 -0.112 0.000 0.956 307 D HN 0.055 nan 8.370 nan 0.000 0.448 308 V N 0.873 120.739 119.914 -0.080 0.000 2.332 308 V HA -0.220 3.905 4.120 0.008 0.000 0.248 308 V C 2.403 178.472 176.094 -0.041 0.000 1.055 308 V CA 1.861 64.136 62.300 -0.041 0.000 1.038 308 V CB -0.468 31.336 31.823 -0.032 0.000 0.651 308 V HN 0.269 nan 8.190 nan 0.000 0.450 309 E N 1.025 121.190 120.200 -0.059 0.000 2.047 309 E HA -0.252 4.103 4.350 0.008 0.000 0.191 309 E C 2.282 178.864 176.600 -0.029 0.000 0.987 309 E CA 1.490 57.867 56.400 -0.038 0.000 0.799 309 E CB -0.076 29.600 29.700 -0.040 0.000 0.752 309 E HN 0.755 nan 8.360 nan 0.000 0.449 310 K N -0.778 119.571 120.400 -0.085 0.000 2.366 310 K HA 0.018 4.343 4.320 0.008 0.000 0.198 310 K C 1.200 177.816 176.600 0.025 0.000 1.044 310 K CA 1.080 57.328 56.287 -0.064 0.000 0.973 310 K CB 0.208 32.577 32.500 -0.218 0.000 0.767 310 K HN 0.227 nan 8.250 nan 0.000 0.475 311 G N 1.334 110.130 108.800 -0.006 0.000 2.141 311 G HA2 -0.194 3.771 3.960 0.008 0.000 0.242 311 G HA3 -0.194 3.771 3.960 0.008 0.000 0.242 311 G C -0.371 174.701 174.900 0.287 0.000 0.982 311 G CA 0.255 45.438 45.100 0.138 0.000 0.662 311 G HN 0.523 nan 8.290 nan 0.000 0.527 312 W N -1.781 119.574 121.300 0.092 0.000 3.059 312 W HA 0.753 5.419 4.660 0.010 0.000 0.329 312 W C -0.849 175.740 176.519 0.117 0.000 1.246 312 W CA -0.749 56.664 57.345 0.113 0.000 1.190 312 W CB 0.978 30.490 29.460 0.087 0.000 1.423 312 W HN 0.863 nan 8.180 nan 0.000 0.571 313 S N 1.230 117.158 115.700 0.381 0.000 2.605 313 S HA 0.599 5.074 4.470 0.008 0.000 0.279 313 S C -0.568 174.119 174.600 0.144 0.000 1.166 313 S CA 0.665 58.965 58.200 0.167 0.000 0.975 313 S CB 0.349 63.659 63.200 0.183 0.000 1.111 313 S HN 2.225 nan 8.310 nan 0.000 0.465 314 G N 3.417 112.351 108.800 0.225 0.000 2.906 314 G HA2 0.199 4.164 3.960 0.008 0.000 0.686 314 G HA3 0.199 4.164 3.960 0.008 0.000 0.686 314 G C -0.953 174.072 174.900 0.208 0.000 1.170 314 G CA -0.361 44.848 45.100 0.181 0.000 0.775 314 G HN 1.698 nan 8.290 nan 0.000 0.630 315 I N -1.992 118.696 120.570 0.197 0.000 3.174 315 I HA 0.841 5.016 4.170 0.008 0.000 0.313 315 I C -0.553 175.689 176.117 0.208 0.000 1.155 315 I CA -1.468 59.907 61.300 0.125 0.000 0.977 315 I CB 2.235 40.276 38.000 0.069 0.000 1.248 315 I HN 0.436 nan 8.210 nan 0.000 0.453 316 Q N 2.323 122.262 119.800 0.233 0.000 2.245 316 Q HA 0.362 4.707 4.340 0.008 0.000 0.256 316 Q C -0.224 175.976 176.000 0.333 0.000 0.942 316 Q CA -0.502 55.483 55.803 0.303 0.000 0.896 316 Q CB 1.956 30.931 28.738 0.396 0.000 1.272 316 Q HN 0.874 nan 8.270 nan 0.000 0.442 317 T N -1.619 113.111 114.554 0.293 0.000 2.802 317 T HA 0.258 4.613 4.350 0.008 0.000 0.305 317 T C 0.857 175.676 174.700 0.198 0.000 1.053 317 T CA -0.761 61.537 62.100 0.329 0.000 1.058 317 T CB 0.453 69.516 68.868 0.324 0.000 0.988 317 T HN 0.360 nan 8.240 nan 0.000 0.539 318 I N 2.786 123.394 120.570 0.064 0.000 2.752 318 I HA 0.139 4.314 4.170 0.008 0.000 0.289 318 I C -1.898 174.101 176.117 -0.197 0.000 1.197 318 I CA -2.179 59.053 61.300 -0.113 0.000 1.432 318 I CB -0.347 37.570 38.000 -0.140 0.000 1.359 318 I HN 0.545 nan 8.210 nan 0.000 0.571 319 P HA 0.114 nan 4.420 nan 0.000 0.266 319 P C -0.731 176.340 177.300 -0.381 0.000 1.195 319 P CA -0.001 62.689 63.100 -0.684 0.000 0.768 319 P CB 0.414 31.480 31.700 -1.055 0.000 0.838 320 R N 1.681 121.998 120.500 -0.304 0.000 2.621 320 R HA 0.466 4.810 4.340 0.008 0.000 0.292 320 R C -0.410 175.797 176.300 -0.155 0.000 0.969 320 R CA -1.118 54.867 56.100 -0.192 0.000 0.887 320 R CB 1.595 31.825 30.300 -0.116 0.000 1.180 320 R HN 0.352 nan 8.270 nan 0.000 0.450 321 K N 4.593 124.967 120.400 -0.043 0.000 2.368 321 K HA 0.232 4.557 4.320 0.008 0.000 0.282 321 K C -0.095 176.608 176.600 0.172 0.000 1.035 321 K CA -0.317 56.008 56.287 0.062 0.000 0.973 321 K CB 0.533 33.130 32.500 0.162 0.000 0.957 321 K HN 0.733 nan 8.250 nan 0.000 0.474 322 I N 1.532 122.169 120.570 0.113 0.000 2.785 322 I HA 0.802 4.977 4.170 0.008 0.000 0.302 322 I C -1.391 174.887 176.117 0.269 0.000 1.069 322 I CA -0.910 60.392 61.300 0.005 0.000 1.045 322 I CB 1.465 39.359 38.000 -0.176 0.000 1.236 322 I HN 0.977 nan 8.210 nan 0.000 0.429 323 W N 3.417 124.706 121.300 -0.019 0.000 2.895 323 W HA 0.612 5.277 4.660 0.007 0.000 0.377 323 W C -2.594 173.943 176.519 0.030 0.000 1.191 323 W CA -1.137 56.207 57.345 -0.002 0.000 1.179 323 W CB 0.580 30.034 29.460 -0.010 0.000 1.469 323 W HN 0.551 nan 8.180 nan 0.000 0.577 324 L N 3.386 124.758 121.223 0.248 0.000 2.326 324 L HA 0.222 4.567 4.340 0.008 0.000 0.278 324 L C 0.383 177.392 176.870 0.231 0.000 1.092 324 L CA -0.476 54.455 54.840 0.151 0.000 0.810 324 L CB 0.543 42.688 42.059 0.145 0.000 1.153 324 L HN 0.577 nan 8.230 nan 0.000 0.439 325 D N 4.258 124.742 120.400 0.139 0.000 2.329 325 D HA 0.043 4.688 4.640 0.008 0.000 0.246 325 D C 0.856 177.274 176.300 0.196 0.000 1.111 325 D CA -0.390 53.717 54.000 0.178 0.000 0.941 325 D CB 1.004 41.872 40.800 0.113 0.000 1.169 325 D HN 0.494 nan 8.370 nan 0.000 0.441 326 R N 0.269 120.884 120.500 0.192 0.000 2.134 326 R HA -0.218 4.127 4.340 0.008 0.000 0.248 326 R C 2.279 178.667 176.300 0.148 0.000 1.143 326 R CA 2.460 58.659 56.100 0.166 0.000 0.957 326 R CB -0.515 29.860 30.300 0.124 0.000 0.867 326 R HN 0.712 nan 8.270 nan 0.000 0.441 327 S N -0.986 114.793 115.700 0.132 0.000 2.474 327 S HA -0.010 4.465 4.470 0.008 0.000 0.235 327 S C 1.564 176.247 174.600 0.139 0.000 0.997 327 S CA 0.845 59.117 58.200 0.120 0.000 0.949 327 S CB 0.137 63.401 63.200 0.108 0.000 0.766 327 S HN 0.611 nan 8.310 nan 0.000 0.517 328 G N 1.261 110.157 108.800 0.160 0.000 2.162 328 G HA2 -0.293 3.672 3.960 0.008 0.000 0.260 328 G HA3 -0.293 3.672 3.960 0.008 0.000 0.260 328 G C 0.704 175.730 174.900 0.210 0.000 0.976 328 G CA 0.633 45.836 45.100 0.172 0.000 0.655 328 G HN 0.582 nan 8.290 nan 0.000 0.533 329 K N -0.278 120.254 120.400 0.219 0.000 2.361 329 K HA 0.204 4.529 4.320 0.008 0.000 0.194 329 K C 1.152 177.974 176.600 0.369 0.000 1.032 329 K CA 1.163 57.623 56.287 0.288 0.000 1.048 329 K CB 0.301 32.912 32.500 0.185 0.000 0.842 329 K HN 0.813 nan 8.250 nan 0.000 0.526 330 Q N -0.490 119.485 119.800 0.293 0.000 2.685 330 Q HA 0.392 4.737 4.340 0.008 0.000 0.301 330 Q C -1.309 174.822 176.000 0.218 0.000 0.924 330 Q CA -0.922 55.087 55.803 0.344 0.000 0.755 330 Q CB 0.944 29.870 28.738 0.313 0.000 1.470 330 Q HN -0.112 nan 8.270 nan 0.000 0.434 331 L N 0.967 122.305 121.223 0.191 0.000 2.379 331 L HA 0.543 4.888 4.340 0.008 0.000 0.269 331 L C -0.427 176.369 176.870 -0.122 0.000 1.084 331 L CA -1.159 53.645 54.840 -0.060 0.000 0.802 331 L CB 1.025 42.932 42.059 -0.253 0.000 1.175 331 L HN 0.539 nan 8.230 nan 0.000 0.448 332 I N 1.636 121.944 120.570 -0.438 0.000 2.493 332 I HA 0.422 4.597 4.170 0.008 0.000 0.298 332 I C -0.268 175.370 176.117 -0.797 0.000 0.998 332 I CA -0.504 60.416 61.300 -0.633 0.000 1.137 332 I CB 1.687 39.079 38.000 -1.013 0.000 1.310 332 I HN 0.672 nan 8.210 nan 0.000 0.445 333 Q N 4.906 124.472 119.800 -0.389 0.000 2.413 333 Q HA 0.574 4.919 4.340 0.008 0.000 0.276 333 Q C -1.466 174.574 176.000 0.067 0.000 1.099 333 Q CA -0.740 54.936 55.803 -0.212 0.000 0.814 333 Q CB 3.420 32.135 28.738 -0.040 0.000 1.379 333 Q HN 0.657 nan 8.270 nan 0.000 0.436 334 W N 2.027 123.200 121.300 -0.213 0.000 3.800 334 W HA 0.283 4.948 4.660 0.010 0.000 0.299 334 W C -3.039 173.324 176.519 -0.260 0.000 1.231 334 W CA -1.791 55.397 57.345 -0.262 0.000 1.232 334 W CB 1.709 31.171 29.460 0.002 0.000 1.291 334 W HN 0.438 nan 8.180 nan 0.000 0.514 335 P HA -0.097 nan 4.420 nan 0.000 0.264 335 P C 0.135 177.244 177.300 -0.318 0.000 1.179 335 P CA 0.394 63.165 63.100 -0.549 0.000 0.763 335 P CB 0.392 31.664 31.700 -0.713 0.000 0.806 336 V N 2.077 121.852 119.914 -0.233 0.000 2.788 336 V HA 0.012 4.136 4.120 0.008 0.000 0.307 336 V C 1.537 177.535 176.094 -0.160 0.000 1.069 336 V CA 0.074 62.274 62.300 -0.168 0.000 1.173 336 V CB -0.033 31.664 31.823 -0.209 0.000 0.925 336 V HN 0.475 nan 8.190 nan 0.000 0.492 337 R N 1.618 122.058 120.500 -0.100 0.000 2.237 337 R HA -0.093 4.252 4.340 0.008 0.000 0.219 337 R C 1.761 177.979 176.300 -0.138 0.000 1.080 337 R CA 1.389 57.431 56.100 -0.097 0.000 0.995 337 R CB -0.083 30.182 30.300 -0.057 0.000 0.875 337 R HN 0.867 nan 8.270 nan 0.000 0.462 338 E N 0.469 120.584 120.200 -0.143 0.000 2.265 338 E HA -0.115 4.240 4.350 0.008 0.000 0.196 338 E C 1.765 178.263 176.600 -0.170 0.000 0.996 338 E CA 0.493 56.805 56.400 -0.146 0.000 0.832 338 E CB -0.108 29.506 29.700 -0.144 0.000 0.756 338 E HN 0.014 nan 8.360 nan 0.000 0.491 339 V N 0.789 120.587 119.914 -0.195 0.000 2.759 339 V HA -0.212 3.913 4.120 0.008 0.000 0.256 339 V C 1.338 177.258 176.094 -0.290 0.000 1.080 339 V CA 1.600 63.763 62.300 -0.229 0.000 1.101 339 V CB -0.158 31.525 31.823 -0.235 0.000 0.698 339 V HN 0.267 nan 8.190 nan 0.000 0.477 340 E N -0.483 119.549 120.200 -0.280 0.000 2.418 340 E HA -0.130 4.224 4.350 0.008 0.000 0.197 340 E C 2.172 178.591 176.600 -0.303 0.000 1.026 340 E CA 0.371 56.566 56.400 -0.341 0.000 0.862 340 E CB -0.057 29.448 29.700 -0.325 0.000 0.799 340 E HN 0.581 nan 8.360 nan 0.000 0.518 341 R N 0.260 120.623 120.500 -0.229 0.000 2.235 341 R HA -0.007 4.338 4.340 0.008 0.000 0.213 341 R C 1.896 178.089 176.300 -0.179 0.000 1.059 341 R CA 0.565 56.557 56.100 -0.181 0.000 0.997 341 R CB -0.052 30.165 30.300 -0.139 0.000 0.884 341 R HN 0.181 nan 8.270 nan 0.000 0.462 342 L N 0.352 121.441 121.223 -0.223 0.000 2.492 342 L HA 0.026 4.371 4.340 0.008 0.000 0.223 342 L C 0.641 177.382 176.870 -0.215 0.000 1.132 342 L CA 0.286 54.994 54.840 -0.221 0.000 0.850 342 L CB -0.143 41.725 42.059 -0.318 0.000 0.966 342 L HN 0.004 nan 8.230 nan 0.000 0.454 343 R N 0.408 120.754 120.500 -0.256 0.000 2.570 343 R HA 0.063 4.408 4.340 0.008 0.000 0.277 343 R C 0.466 176.721 176.300 -0.076 0.000 1.039 343 R CA 0.026 55.996 56.100 -0.216 0.000 1.065 343 R CB 0.452 30.439 30.300 -0.523 0.000 0.964 343 R HN -0.103 nan 8.270 nan 0.000 0.428 344 T N 2.147 116.733 114.554 0.053 0.000 2.926 344 T HA 0.019 4.373 4.350 0.008 0.000 0.307 344 T C 1.418 176.194 174.700 0.127 0.000 1.059 344 T CA -0.606 61.539 62.100 0.075 0.000 1.122 344 T CB 0.578 69.496 68.868 0.084 0.000 0.972 344 T HN 0.526 nan 8.240 nan 0.000 0.545 345 K N 2.883 123.327 120.400 0.073 0.000 2.063 345 K HA -0.078 4.247 4.320 0.008 0.000 0.208 345 K C 0.483 177.148 176.600 0.108 0.000 1.048 345 K CA 1.192 57.523 56.287 0.074 0.000 0.928 345 K CB -0.109 32.413 32.500 0.037 0.000 0.713 345 K HN 0.521 nan 8.250 nan 0.000 0.442 346 Q N 2.145 121.998 119.800 0.089 0.000 2.406 346 Q HA 0.229 4.574 4.340 0.008 0.000 0.242 346 Q C -0.410 175.619 176.000 0.048 0.000 1.036 346 Q CA -0.269 55.570 55.803 0.060 0.000 0.904 346 Q CB 1.313 30.068 28.738 0.028 0.000 1.244 346 Q HN 0.016 nan 8.270 nan 0.000 0.478 347 V N 2.970 122.894 119.914 0.016 0.000 3.003 347 V HA 0.179 4.304 4.120 0.008 0.000 0.305 347 V C -0.114 175.848 176.094 -0.220 0.000 1.078 347 V CA -0.234 61.934 62.300 -0.221 0.000 1.083 347 V CB 1.386 32.987 31.823 -0.370 0.000 1.039 347 V HN 0.587 nan 8.190 nan 0.000 0.481 348 K N 5.444 125.652 120.400 -0.320 0.000 2.367 348 K HA 0.380 4.705 4.320 0.008 0.000 0.263 348 K C -0.510 175.930 176.600 -0.266 0.000 1.000 348 K CA -0.107 56.050 56.287 -0.216 0.000 0.891 348 K CB 0.517 32.922 32.500 -0.159 0.000 1.117 348 K HN 0.771 nan 8.250 nan 0.000 0.443 349 N N 5.447 124.035 118.700 -0.187 0.000 2.362 349 N HA 0.444 5.189 4.740 0.008 0.000 0.298 349 N C -1.276 174.167 175.510 -0.111 0.000 1.048 349 N CA -0.443 52.503 53.050 -0.173 0.000 0.858 349 N CB 0.842 39.247 38.487 -0.138 0.000 1.218 349 N HN 0.512 nan 8.380 nan 0.000 0.488 350 L N 2.849 124.007 121.223 -0.109 0.000 2.381 350 L HA 0.612 4.957 4.340 0.008 0.000 0.268 350 L C -0.419 176.407 176.870 -0.073 0.000 0.997 350 L CA -0.930 53.867 54.840 -0.073 0.000 0.818 350 L CB 2.211 44.232 42.059 -0.063 0.000 1.310 350 L HN 0.580 nan 8.230 nan 0.000 0.416 351 R N 1.413 121.882 120.500 -0.052 0.000 2.626 351 R HA 0.477 4.822 4.340 0.008 0.000 0.274 351 R C -0.778 175.501 176.300 -0.035 0.000 1.031 351 R CA -0.897 55.173 56.100 -0.049 0.000 0.898 351 R CB 1.225 31.500 30.300 -0.043 0.000 1.222 351 R HN 0.643 nan 8.270 nan 0.000 0.455 352 N N 0.998 119.676 118.700 -0.037 0.000 2.735 352 N HA -0.137 4.607 4.740 0.008 0.000 0.248 352 N C -1.042 174.458 175.510 -0.017 0.000 1.083 352 N CA 1.047 54.081 53.050 -0.026 0.000 0.703 352 N CB -0.529 37.946 38.487 -0.020 0.000 1.005 352 N HN 0.626 nan 8.380 nan 0.000 0.550 353 K N 0.539 120.929 120.400 -0.017 0.000 2.118 353 K HA 0.508 4.833 4.320 0.008 0.000 0.267 353 K C 0.370 176.973 176.600 0.004 0.000 0.991 353 K CA -0.600 55.686 56.287 -0.001 0.000 0.916 353 K CB 1.806 34.309 32.500 0.006 0.000 1.041 353 K HN -0.098 nan 8.250 nan 0.000 0.455 354 V N 4.113 124.033 119.914 0.010 0.000 2.313 354 V HA 0.239 4.364 4.120 0.008 0.000 0.278 354 V C 0.071 176.176 176.094 0.019 0.000 1.017 354 V CA -0.739 61.564 62.300 0.005 0.000 0.823 354 V CB 0.761 32.584 31.823 -0.000 0.000 1.010 354 V HN 0.498 nan 8.190 nan 0.000 0.443 355 L N 6.098 127.332 121.223 0.019 0.000 2.334 355 L HA 0.337 4.682 4.340 0.008 0.000 0.286 355 L C 0.521 177.397 176.870 0.010 0.000 1.108 355 L CA -0.411 54.447 54.840 0.030 0.000 0.875 355 L CB 0.046 42.128 42.059 0.038 0.000 1.246 355 L HN 0.577 nan 8.230 nan 0.000 0.439 356 K N 1.349 121.766 120.400 0.028 0.000 2.149 356 K HA 0.147 4.472 4.320 0.008 0.000 0.245 356 K C 0.550 177.179 176.600 0.049 0.000 1.024 356 K CA -0.436 55.868 56.287 0.029 0.000 0.899 356 K CB 0.351 32.872 32.500 0.033 0.000 1.038 356 K HN 0.351 nan 8.250 nan 0.000 0.496 357 S N 0.508 116.239 115.700 0.052 0.000 2.575 357 S HA 0.211 4.686 4.470 0.008 0.000 0.295 357 S C 1.004 175.657 174.600 0.088 0.000 1.267 357 S CA 0.843 59.085 58.200 0.070 0.000 1.074 357 S CB -0.912 62.335 63.200 0.078 0.000 0.829 357 S HN 0.853 nan 8.310 nan 0.000 0.497 358 G N 3.235 112.130 108.800 0.158 0.000 2.160 358 G HA2 -0.233 3.732 3.960 0.008 0.000 0.251 358 G HA3 -0.233 3.732 3.960 0.008 0.000 0.251 358 G C 0.037 175.060 174.900 0.205 0.000 1.008 358 G CA 0.381 45.571 45.100 0.150 0.000 0.724 358 G HN 1.665 nan 8.290 nan 0.000 0.514 359 S N -0.731 115.119 115.700 0.249 0.000 2.501 359 S HA 0.871 5.346 4.470 0.008 0.000 0.301 359 S C -0.025 174.710 174.600 0.226 0.000 1.096 359 S CA -0.156 58.155 58.200 0.185 0.000 1.063 359 S CB 2.034 65.302 63.200 0.113 0.000 1.042 359 S HN 1.124 nan 8.310 nan 0.000 0.494 360 R N 1.067 121.677 120.500 0.184 0.000 2.807 360 R HA 0.817 5.162 4.340 0.008 0.000 0.276 360 R C -1.840 174.573 176.300 0.188 0.000 0.979 360 R CA -1.139 55.072 56.100 0.184 0.000 0.928 360 R CB 1.130 31.489 30.300 0.099 0.000 1.191 360 R HN 0.528 nan 8.270 nan 0.000 0.471 361 L N 1.273 122.631 121.223 0.224 0.000 2.372 361 L HA 0.377 4.722 4.340 0.008 0.000 0.274 361 L C -0.552 176.398 176.870 0.134 0.000 0.988 361 L CA -0.418 54.520 54.840 0.163 0.000 0.833 361 L CB 1.885 44.008 42.059 0.106 0.000 1.236 361 L HN 0.866 nan 8.230 nan 0.000 0.410 362 E N 3.227 123.429 120.200 0.004 0.000 2.354 362 E HA 0.417 4.772 4.350 0.008 0.000 0.269 362 E C -1.270 174.987 176.600 -0.572 0.000 1.036 362 E CA -0.603 55.517 56.400 -0.467 0.000 0.876 362 E CB 1.165 30.420 29.700 -0.742 0.000 1.009 362 E HN 0.505 nan 8.360 nan 0.000 0.416 363 V N 5.579 125.158 119.914 -0.559 0.000 2.333 363 V HA 0.203 4.328 4.120 0.008 0.000 0.274 363 V C -0.696 175.160 176.094 -0.398 0.000 1.028 363 V CA -0.523 61.554 62.300 -0.372 0.000 0.851 363 V CB -0.179 31.514 31.823 -0.217 0.000 1.000 363 V HN 0.590 nan 8.190 nan 0.000 0.456 364 Y N 1.758 122.006 120.300 -0.086 0.000 2.316 364 Y HA 0.571 5.124 4.550 0.005 0.000 0.324 364 Y C 1.446 177.305 175.900 -0.068 0.000 1.267 364 Y CA 0.528 58.587 58.100 -0.068 0.000 1.311 364 Y CB 1.380 39.816 38.460 -0.040 0.000 1.267 364 Y HN 0.807 nan 8.280 nan 0.000 0.516 365 G N 0.547 109.425 108.800 0.129 0.000 2.198 365 G HA2 -0.202 3.763 3.960 0.008 0.000 0.257 365 G HA3 -0.202 3.763 3.960 0.008 0.000 0.257 365 G C -0.950 173.953 174.900 0.006 0.000 1.042 365 G CA 0.180 45.311 45.100 0.050 0.000 0.791 365 G HN 0.646 nan 8.290 nan 0.000 0.502 366 V N 0.519 120.424 119.914 -0.015 0.000 2.789 366 V HA 0.794 4.919 4.120 0.008 0.000 0.311 366 V C 0.822 176.898 176.094 -0.029 0.000 1.073 366 V CA 0.116 62.401 62.300 -0.024 0.000 0.921 366 V CB 2.132 33.928 31.823 -0.045 0.000 1.009 366 V HN 1.038 nan 8.190 nan 0.000 0.426 367 T N 3.734 118.282 114.554 -0.010 0.000 2.933 367 T HA 0.270 4.625 4.350 0.008 0.000 0.263 367 T C 1.119 175.800 174.700 -0.032 0.000 0.925 367 T CA 0.274 62.365 62.100 -0.015 0.000 1.156 367 T CB 0.719 69.596 68.868 0.014 0.000 0.916 367 T HN 1.125 nan 8.240 nan 0.000 0.601 368 A N 2.963 125.744 122.820 -0.066 0.000 2.121 368 A HA 0.348 4.673 4.320 0.008 0.000 0.218 368 A C 2.389 179.937 177.584 -0.060 0.000 1.154 368 A CA 0.861 52.858 52.037 -0.068 0.000 0.679 368 A CB -0.601 18.332 19.000 -0.112 0.000 0.795 368 A HN 1.068 nan 8.150 nan 0.000 0.458 369 A N -1.885 120.871 122.820 -0.106 0.000 2.275 369 A HA 0.308 4.633 4.320 0.008 0.000 0.212 369 A C 0.956 178.318 177.584 -0.370 0.000 1.201 369 A CA 0.596 52.504 52.037 -0.214 0.000 0.843 369 A CB -0.022 18.840 19.000 -0.231 0.000 0.873 369 A HN 0.480 nan 8.150 nan 0.000 0.492 370 Q N -0.398 119.311 119.800 -0.152 0.000 3.550 370 Q HA 0.576 4.920 4.340 0.008 0.000 0.206 370 Q C -1.097 174.987 176.000 0.141 0.000 0.891 370 Q CA -0.085 55.738 55.803 0.033 0.000 0.737 370 Q CB 0.825 29.597 28.738 0.057 0.000 1.417 370 Q HN 0.464 nan 8.270 nan 0.000 0.460 371 A N 1.530 124.453 122.820 0.172 0.000 2.593 371 A HA 0.745 5.070 4.320 0.008 0.000 0.290 371 A C -1.854 175.828 177.584 0.162 0.000 1.126 371 A CA -0.636 51.477 52.037 0.127 0.000 0.695 371 A CB 2.031 21.081 19.000 0.083 0.000 1.290 371 A HN 0.451 nan 8.150 nan 0.000 0.414 372 D N -0.032 120.465 120.400 0.163 0.000 2.502 372 D HA 0.512 5.156 4.640 0.008 0.000 0.249 372 D C -1.627 174.854 176.300 0.302 0.000 1.092 372 D CA 0.037 54.159 54.000 0.203 0.000 0.839 372 D CB 1.843 42.712 40.800 0.115 0.000 1.264 372 D HN 0.720 nan 8.370 nan 0.000 0.511 373 V N 3.358 123.414 119.914 0.237 0.000 2.577 373 V HA 0.531 4.656 4.120 0.008 0.000 0.303 373 V C -1.245 174.977 176.094 0.213 0.000 1.042 373 V CA -0.461 61.948 62.300 0.181 0.000 0.872 373 V CB 1.714 33.594 31.823 0.095 0.000 0.998 373 V HN 0.529 nan 8.190 nan 0.000 0.423 374 E N 4.323 124.654 120.200 0.219 0.000 2.187 374 E HA 0.688 5.043 4.350 0.008 0.000 0.268 374 E C -1.486 175.168 176.600 0.090 0.000 0.896 374 E CA -0.530 56.006 56.400 0.227 0.000 0.766 374 E CB 2.682 32.591 29.700 0.349 0.000 1.142 374 E HN 0.587 nan 8.360 nan 0.000 0.408 375 V N 4.436 124.390 119.914 0.066 0.000 2.925 375 V HA 0.521 4.646 4.120 0.008 0.000 0.311 375 V C -1.700 174.313 176.094 -0.134 0.000 1.104 375 V CA -0.662 61.568 62.300 -0.117 0.000 0.954 375 V CB 1.761 33.427 31.823 -0.261 0.000 1.022 375 V HN 0.584 nan 8.190 nan 0.000 0.427 376 L N 5.772 126.843 121.223 -0.253 0.000 2.325 376 L HA 0.597 4.942 4.340 0.008 0.000 0.281 376 L C -1.317 175.372 176.870 -0.302 0.000 1.004 376 L CA -0.281 54.465 54.840 -0.155 0.000 0.823 376 L CB 1.701 43.725 42.059 -0.059 0.000 1.236 376 L HN 0.559 nan 8.230 nan 0.000 0.415 377 F N 2.654 122.660 119.950 0.093 0.000 2.422 377 F HA 0.503 5.035 4.527 0.008 0.000 0.333 377 F C 0.253 176.017 175.800 -0.061 0.000 1.095 377 F CA -0.632 57.374 58.000 0.010 0.000 1.038 377 F CB 1.609 40.671 39.000 0.103 0.000 1.156 377 F HN 0.256 nan 8.300 nan 0.000 0.483 378 K N 2.987 123.420 120.400 0.056 0.000 2.426 378 K HA 0.653 4.977 4.320 0.008 0.000 0.254 378 K C -1.456 175.072 176.600 -0.119 0.000 0.936 378 K CA -0.793 55.476 56.287 -0.031 0.000 0.801 378 K CB 1.637 34.118 32.500 -0.032 0.000 1.139 378 K HN 0.556 nan 8.250 nan 0.000 0.424 379 V N 2.270 122.090 119.914 -0.156 0.000 2.567 379 V HA 0.458 4.583 4.120 0.008 0.000 0.289 379 V C 0.778 176.781 176.094 -0.151 0.000 1.049 379 V CA -0.561 61.618 62.300 -0.201 0.000 0.969 379 V CB 1.608 33.300 31.823 -0.218 0.000 0.995 379 V HN 0.825 nan 8.190 nan 0.000 0.471 380 R N 1.211 121.633 120.500 -0.130 0.000 2.075 380 R HA 0.187 4.532 4.340 0.008 0.000 0.220 380 R C -0.159 176.085 176.300 -0.093 0.000 1.118 380 R CA 0.767 56.811 56.100 -0.093 0.000 0.986 380 R CB -0.027 30.232 30.300 -0.069 0.000 0.884 380 R HN 0.816 nan 8.270 nan 0.000 0.439 381 D N 1.314 121.657 120.400 -0.094 0.000 2.479 381 D HA 0.163 4.808 4.640 0.008 0.000 0.247 381 D C 1.075 177.313 176.300 -0.103 0.000 1.119 381 D CA -0.122 53.833 54.000 -0.075 0.000 0.922 381 D CB 1.243 42.020 40.800 -0.038 0.000 1.014 381 D HN -0.068 nan 8.370 nan 0.000 0.510 382 L N 1.097 122.213 121.223 -0.179 0.000 2.083 382 L HA -0.228 4.117 4.340 0.008 0.000 0.209 382 L C 1.884 178.731 176.870 -0.038 0.000 1.083 382 L CA 1.351 56.012 54.840 -0.298 0.000 0.752 382 L CB 0.041 41.716 42.059 -0.639 0.000 0.899 382 L HN 0.197 nan 8.230 nan 0.000 0.433 383 E N -0.511 119.716 120.200 0.045 0.000 2.265 383 E HA -0.193 4.162 4.350 0.008 0.000 0.196 383 E C 1.623 178.280 176.600 0.096 0.000 0.996 383 E CA 0.779 57.254 56.400 0.125 0.000 0.832 383 E CB -0.282 29.468 29.700 0.084 0.000 0.756 383 E HN 0.191 nan 8.360 nan 0.000 0.491 384 K N 0.673 121.106 120.400 0.054 0.000 2.525 384 K HA 0.215 4.540 4.320 0.008 0.000 0.192 384 K C 0.454 177.099 176.600 0.074 0.000 1.029 384 K CA 0.511 56.828 56.287 0.049 0.000 1.029 384 K CB -0.098 32.417 32.500 0.026 0.000 0.814 384 K HN 0.214 nan 8.250 nan 0.000 0.503 385 A N 2.216 125.101 122.820 0.108 0.000 2.462 385 A HA 0.043 4.367 4.320 0.008 0.000 0.243 385 A C -0.057 177.617 177.584 0.150 0.000 1.076 385 A CA -0.201 51.914 52.037 0.130 0.000 0.773 385 A CB 0.212 19.335 19.000 0.206 0.000 1.010 385 A HN 0.158 nan 8.150 nan 0.000 0.493 386 D N 1.167 121.652 120.400 0.142 0.000 2.372 386 D HA 0.237 4.881 4.640 0.008 0.000 0.243 386 D C 0.048 176.478 176.300 0.216 0.000 1.121 386 D CA 0.033 54.135 54.000 0.171 0.000 0.898 386 D CB 1.016 41.945 40.800 0.215 0.000 1.202 386 D HN 0.218 nan 8.370 nan 0.000 0.428 387 V N 2.599 122.585 119.914 0.119 0.000 2.614 387 V HA 0.070 4.194 4.120 0.008 0.000 0.291 387 V C 0.876 176.983 176.094 0.022 0.000 1.049 387 V CA -0.415 61.921 62.300 0.059 0.000 1.038 387 V CB 1.081 32.893 31.823 -0.018 0.000 0.980 387 V HN 0.430 nan 8.190 nan 0.000 0.481 388 I N 3.268 123.816 120.570 -0.036 0.000 2.638 388 I HA 0.208 4.382 4.170 0.008 0.000 0.286 388 I C 0.769 176.640 176.117 -0.409 0.000 1.088 388 I CA -0.397 60.723 61.300 -0.300 0.000 1.397 388 I CB 0.693 38.481 38.000 -0.355 0.000 1.414 388 I HN 0.631 nan 8.210 nan 0.000 0.566 389 E N 8.050 127.792 120.200 -0.764 0.000 2.376 389 E HA 0.067 4.422 4.350 0.008 0.000 0.266 389 E C -1.807 174.549 176.600 -0.407 0.000 1.009 389 E CA -1.370 54.582 56.400 -0.747 0.000 0.902 389 E CB 0.712 29.530 29.700 -1.471 0.000 0.972 389 E HN 0.438 nan 8.360 nan 0.000 0.439 390 P HA -0.123 nan 4.420 nan 0.000 0.223 390 P C 1.249 178.535 177.300 -0.025 0.000 1.151 390 P CA 1.004 64.037 63.100 -0.111 0.000 0.787 390 P CB 0.250 31.898 31.700 -0.086 0.000 0.788 391 S N -2.963 112.743 115.700 0.011 0.000 2.461 391 S HA -0.090 4.384 4.470 0.008 0.000 0.228 391 S C 0.545 175.316 174.600 0.287 0.000 1.005 391 S CA 0.034 58.316 58.200 0.135 0.000 0.942 391 S CB -1.057 62.240 63.200 0.162 0.000 0.776 391 S HN 0.046 nan 8.310 nan 0.000 0.514 392 W N 4.181 125.470 121.300 -0.019 0.000 2.429 392 W HA 0.389 5.054 4.660 0.008 0.000 0.431 392 W C 1.472 178.030 176.519 0.065 0.000 1.038 392 W CA -0.454 56.892 57.345 0.001 0.000 1.635 392 W CB -1.021 28.405 29.460 -0.057 0.000 1.721 392 W HN 0.488 nan 8.180 nan 0.000 0.366 393 T N -3.072 111.641 114.554 0.266 0.000 3.015 393 T HA -0.015 4.340 4.350 0.008 0.000 0.250 393 T C 0.229 175.108 174.700 0.298 0.000 1.057 393 T CA 0.066 62.324 62.100 0.264 0.000 1.066 393 T CB 0.210 69.172 68.868 0.158 0.000 0.959 393 T HN 0.034 nan 8.240 nan 0.000 0.488 394 D N 3.455 123.940 120.400 0.142 0.000 2.380 394 D HA 0.285 4.930 4.640 0.008 0.000 0.230 394 D C -1.368 174.856 176.300 -0.126 0.000 1.154 394 D CA -2.626 51.389 54.000 0.026 0.000 0.859 394 D CB 1.946 42.749 40.800 0.006 0.000 1.045 394 D HN 0.051 nan 8.370 nan 0.000 0.495 395 P HA -0.183 nan 4.420 nan 0.000 0.217 395 P C 1.379 178.475 177.300 -0.341 0.000 1.150 395 P CA 0.935 63.643 63.100 -0.653 0.000 0.832 395 P CB 0.432 31.460 31.700 -1.120 0.000 0.787 396 Q N 0.039 119.708 119.800 -0.218 0.000 2.061 396 Q HA -0.141 4.204 4.340 0.008 0.000 0.204 396 Q C 2.354 178.277 176.000 -0.129 0.000 0.984 396 Q CA 1.468 57.196 55.803 -0.125 0.000 0.846 396 Q CB -0.609 28.108 28.738 -0.036 0.000 0.902 396 Q HN 0.190 nan 8.270 nan 0.000 0.421 397 L N 0.240 121.383 121.223 -0.133 0.000 2.131 397 L HA -0.176 4.169 4.340 0.008 0.000 0.210 397 L C 2.299 179.025 176.870 -0.240 0.000 1.092 397 L CA 0.670 55.416 54.840 -0.157 0.000 0.759 397 L CB -0.274 41.698 42.059 -0.144 0.000 0.903 397 L HN 0.343 nan 8.230 nan 0.000 0.435 398 I N -1.052 119.356 120.570 -0.271 0.000 2.202 398 I HA -0.307 3.868 4.170 0.008 0.000 0.242 398 I C 2.569 178.590 176.117 -0.160 0.000 1.091 398 I CA 1.020 62.126 61.300 -0.324 0.000 1.368 398 I CB -0.417 37.464 38.000 -0.198 0.000 1.058 398 I HN 0.344 nan 8.210 nan 0.000 0.410 399 c N 0.246 118.780 118.600 -0.110 0.000 2.425 399 c HA -0.119 4.456 4.570 0.008 0.000 0.277 399 c C 3.167 177.236 174.090 -0.035 0.000 1.280 399 c CA 1.147 57.451 56.329 -0.042 0.000 1.744 399 c CB -0.997 41.444 42.510 -0.115 0.000 1.989 399 c HN 0.502 nan 8.230 nan 0.000 0.491 400 S N 0.854 116.501 115.700 -0.088 0.000 2.355 400 S HA -0.157 4.318 4.470 0.008 0.000 0.222 400 S C 1.815 176.374 174.600 -0.070 0.000 1.031 400 S CA 1.344 59.494 58.200 -0.082 0.000 0.993 400 S CB -0.199 62.943 63.200 -0.097 0.000 0.859 400 S HN 0.666 nan 8.310 nan 0.000 0.453 401 K N 0.349 120.685 120.400 -0.106 0.000 2.186 401 K HA 0.215 4.540 4.320 0.008 0.000 0.202 401 K C 0.418 176.991 176.600 -0.045 0.000 1.052 401 K CA 0.581 56.810 56.287 -0.096 0.000 0.965 401 K CB 0.037 32.434 32.500 -0.170 0.000 0.746 401 K HN 0.286 nan 8.250 nan 0.000 0.457 402 M N 2.976 122.561 119.600 -0.026 0.000 2.589 402 M HA 0.110 4.595 4.480 0.008 0.000 0.340 402 M C -0.717 175.644 176.300 0.101 0.000 1.308 402 M CA -0.646 54.693 55.300 0.065 0.000 1.332 402 M CB 0.342 33.025 32.600 0.139 0.000 1.219 402 M HN 0.136 nan 8.290 nan 0.000 0.467 403 N N 0.729 119.469 118.700 0.068 0.000 2.379 403 N HA 0.220 4.965 4.740 0.008 0.000 0.260 403 N C 1.009 176.542 175.510 0.038 0.000 1.254 403 N CA -0.856 52.239 53.050 0.076 0.000 0.958 403 N CB 0.469 38.981 38.487 0.041 0.000 1.208 403 N HN 0.298 nan 8.380 nan 0.000 0.532 404 V N -3.244 116.685 119.914 0.025 0.000 2.688 404 V HA -0.195 3.930 4.120 0.008 0.000 0.256 404 V C 1.817 177.965 176.094 0.089 0.000 1.084 404 V CA 1.879 64.169 62.300 -0.018 0.000 1.103 404 V CB -1.424 30.422 31.823 0.039 0.000 0.688 404 V HN 0.823 nan 8.190 nan 0.000 0.480 405 S N -0.459 115.264 115.700 0.038 0.000 2.603 405 S HA 0.164 4.639 4.470 0.008 0.000 0.220 405 S C 0.667 175.250 174.600 -0.027 0.000 0.967 405 S CA 0.202 58.389 58.200 -0.022 0.000 0.920 405 S CB -0.495 62.683 63.200 -0.036 0.000 0.773 405 S HN 0.420 nan 8.310 nan 0.000 0.529 406 V N 3.220 123.133 119.914 -0.002 0.000 2.353 406 V HA 0.276 4.401 4.120 0.008 0.000 0.264 406 V C 0.162 176.238 176.094 -0.029 0.000 1.049 406 V CA -0.631 61.674 62.300 0.007 0.000 0.896 406 V CB 0.464 32.321 31.823 0.056 0.000 1.025 406 V HN 0.364 nan 8.190 nan 0.000 0.475 407 K N 3.534 123.869 120.400 -0.108 0.000 2.326 407 K HA 0.475 4.800 4.320 0.008 0.000 0.275 407 K C 0.384 176.872 176.600 -0.188 0.000 1.018 407 K CA -0.053 56.064 56.287 -0.283 0.000 0.962 407 K CB 0.927 33.013 32.500 -0.689 0.000 0.953 407 K HN 0.821 nan 8.250 nan 0.000 0.475 408 S N -0.028 115.580 115.700 -0.154 0.000 2.704 408 S HA 0.435 4.910 4.470 0.008 0.000 0.296 408 S C 1.145 175.803 174.600 0.096 0.000 1.138 408 S CA -0.635 57.585 58.200 0.032 0.000 0.875 408 S CB 1.384 64.597 63.200 0.022 0.000 1.151 408 S HN 0.628 nan 8.310 nan 0.000 0.500 409 G N 0.185 109.100 108.800 0.191 0.000 2.514 409 G HA2 0.008 3.973 3.960 0.008 0.000 0.217 409 G HA3 0.008 3.973 3.960 0.008 0.000 0.217 409 G C 0.114 175.074 174.900 0.099 0.000 1.198 409 G CA 0.780 45.994 45.100 0.190 0.000 0.780 409 G HN 0.525 nan 8.290 nan 0.000 0.565 410 L N 1.171 122.413 121.223 0.032 0.000 2.318 410 L HA 0.625 4.970 4.340 0.008 0.000 0.277 410 L C 0.623 177.538 176.870 0.075 0.000 1.008 410 L CA 0.605 55.489 54.840 0.073 0.000 0.846 410 L CB -0.038 42.058 42.059 0.062 0.000 1.220 410 L HN 0.672 nan 8.230 nan 0.000 0.423 411 G N 5.383 114.281 108.800 0.163 0.000 2.570 411 G HA2 -0.056 3.909 3.960 0.008 0.000 0.686 411 G HA3 -0.056 3.909 3.960 0.008 0.000 0.686 411 G C -3.212 171.632 174.900 -0.094 0.000 1.257 411 G CA -1.105 43.992 45.100 -0.004 0.000 0.846 411 G HN 0.316 nan 8.290 nan 0.000 0.627 412 P HA 0.568 nan 4.420 nan 0.000 0.282 412 P C -0.592 176.370 177.300 -0.564 0.000 1.262 412 P CA -0.167 62.666 63.100 -0.445 0.000 0.773 412 P CB 0.256 31.449 31.700 -0.845 0.000 0.879 413 F N 1.132 120.692 119.950 -0.649 0.000 2.565 413 F HA 0.925 5.457 4.527 0.007 0.000 0.313 413 F C 0.244 175.459 175.800 -0.974 0.000 1.091 413 F CA -0.729 56.643 58.000 -1.047 0.000 0.915 413 F CB 1.734 40.267 39.000 -0.778 0.000 1.208 413 F HN 0.637 nan 8.300 nan 0.000 0.453 414 G N 2.162 110.406 108.800 -0.927 0.000 2.566 414 G HA2 0.327 4.292 3.960 0.008 0.000 0.138 414 G HA3 0.327 4.292 3.960 0.008 0.000 0.138 414 G C -2.136 172.886 174.900 0.203 0.000 1.133 414 G CA -0.864 44.080 45.100 -0.261 0.000 1.037 414 G HN 0.784 nan 8.290 nan 0.000 0.491 415 L N 0.490 121.936 121.223 0.372 0.000 2.330 415 L HA 0.747 5.092 4.340 0.008 0.000 0.271 415 L C -0.249 176.877 176.870 0.427 0.000 1.013 415 L CA -0.697 54.391 54.840 0.413 0.000 0.816 415 L CB 2.115 44.336 42.059 0.270 0.000 1.287 415 L HN 0.403 nan 8.230 nan 0.000 0.435 416 M N 3.604 123.399 119.600 0.324 0.000 2.078 416 M HA 0.403 4.888 4.480 0.008 0.000 0.320 416 M C -0.677 175.770 176.300 0.245 0.000 0.969 416 M CA -0.720 54.697 55.300 0.195 0.000 0.929 416 M CB 1.754 34.348 32.600 -0.010 0.000 1.504 416 M HN 0.391 nan 8.290 nan 0.000 0.419 417 V N 1.572 121.602 119.914 0.193 0.000 2.850 417 V HA 0.596 4.721 4.120 0.008 0.000 0.315 417 V C 0.610 176.791 176.094 0.146 0.000 1.064 417 V CA -1.040 61.350 62.300 0.151 0.000 0.979 417 V CB 1.659 33.547 31.823 0.109 0.000 1.039 417 V HN 0.940 nan 8.190 nan 0.000 0.452 418 L N 0.064 121.355 121.223 0.113 0.000 3.739 418 L HA -0.183 4.162 4.340 0.008 0.000 0.442 418 L C 0.654 177.625 176.870 0.170 0.000 1.241 418 L CA 0.771 55.676 54.840 0.107 0.000 0.819 418 L CB -1.583 40.515 42.059 0.065 0.000 1.679 418 L HN 1.146 nan 8.230 nan 0.000 0.889 419 A N -0.103 122.866 122.820 0.247 0.000 2.295 419 A HA 0.766 5.091 4.320 0.008 0.000 0.318 419 A C 0.602 178.403 177.584 0.362 0.000 1.134 419 A CA 0.257 52.492 52.037 0.331 0.000 0.827 419 A CB 1.029 20.297 19.000 0.446 0.000 1.136 419 A HN 0.421 nan 8.150 nan 0.000 0.493 420 S N 0.966 116.842 115.700 0.295 0.000 2.616 420 S HA 0.286 4.761 4.470 0.008 0.000 0.277 420 S C 1.018 175.712 174.600 0.156 0.000 1.234 420 S CA -0.398 57.965 58.200 0.271 0.000 1.028 420 S CB 1.377 64.682 63.200 0.176 0.000 0.988 420 S HN 0.792 nan 8.310 nan 0.000 0.522 421 K N 1.192 121.602 120.400 0.017 0.000 2.089 421 K HA -0.190 4.135 4.320 0.008 0.000 0.210 421 K C 0.371 176.904 176.600 -0.113 0.000 1.048 421 K CA 1.661 57.747 56.287 -0.335 0.000 0.926 421 K CB -0.317 32.097 32.500 -0.143 0.000 0.714 421 K HN 0.652 nan 8.250 nan 0.000 0.448 422 N N 0.510 119.188 118.700 -0.037 0.000 2.251 422 N HA 0.055 4.800 4.740 0.008 0.000 0.217 422 N C -0.278 175.199 175.510 -0.054 0.000 1.124 422 N CA 0.094 53.117 53.050 -0.045 0.000 0.843 422 N CB 0.443 38.923 38.487 -0.011 0.000 1.024 422 N HN 0.095 nan 8.380 nan 0.000 0.501 423 L N 0.333 121.528 121.223 -0.046 0.000 3.737 423 L HA -0.263 4.082 4.340 0.008 0.000 0.418 423 L C 1.080 178.036 176.870 0.142 0.000 1.216 423 L CA 0.623 55.454 54.840 -0.015 0.000 0.915 423 L CB -1.875 40.002 42.059 -0.303 0.000 1.834 423 L HN 0.083 nan 8.230 nan 0.000 0.943 424 E N -0.072 120.195 120.200 0.112 0.000 2.106 424 E HA -0.038 4.316 4.350 0.008 0.000 0.192 424 E C 0.530 177.194 176.600 0.108 0.000 0.984 424 E CA 1.505 57.964 56.400 0.099 0.000 0.806 424 E CB 0.098 29.837 29.700 0.064 0.000 0.750 424 E HN 0.667 nan 8.360 nan 0.000 0.458 425 E N -0.728 119.558 120.200 0.144 0.000 2.238 425 E HA 0.482 4.837 4.350 0.008 0.000 0.267 425 E C -1.228 175.508 176.600 0.227 0.000 0.887 425 E CA -0.882 55.566 56.400 0.080 0.000 0.769 425 E CB 1.822 31.565 29.700 0.071 0.000 1.187 425 E HN 0.063 nan 8.360 nan 0.000 0.416 426 Y N -2.398 117.900 120.300 -0.004 0.000 2.583 426 Y HA 0.388 4.942 4.550 0.007 0.000 0.330 426 Y C -1.186 174.701 175.900 -0.021 0.000 1.185 426 Y CA -1.164 56.933 58.100 -0.005 0.000 1.107 426 Y CB 0.975 39.404 38.460 -0.052 0.000 1.344 426 Y HN 0.190 nan 8.280 nan 0.000 0.463 427 T N 2.608 117.230 114.554 0.114 0.000 2.758 427 T HA 0.500 4.855 4.350 0.008 0.000 0.285 427 T C -0.630 174.153 174.700 0.139 0.000 0.981 427 T CA -0.721 61.408 62.100 0.050 0.000 0.965 427 T CB 0.997 69.875 68.868 0.018 0.000 0.927 427 T HN 0.624 nan 8.240 nan 0.000 0.448 428 S N 2.758 118.547 115.700 0.150 0.000 2.422 428 S HA 0.441 4.916 4.470 0.008 0.000 0.298 428 S C -0.037 174.692 174.600 0.216 0.000 1.118 428 S CA -0.730 57.612 58.200 0.238 0.000 1.083 428 S CB 0.760 64.141 63.200 0.302 0.000 0.971 428 S HN 0.503 nan 8.310 nan 0.000 0.478 429 V N 5.915 125.949 119.914 0.200 0.000 2.313 429 V HA 0.525 4.650 4.120 0.008 0.000 0.278 429 V C -0.715 175.371 176.094 -0.014 0.000 1.017 429 V CA -0.647 61.653 62.300 0.001 0.000 0.823 429 V CB -0.341 31.470 31.823 -0.020 0.000 1.010 429 V HN 0.877 nan 8.190 nan 0.000 0.443 430 Y N 2.947 123.098 120.300 -0.249 0.000 2.677 430 Y HA 0.888 5.442 4.550 0.007 0.000 0.334 430 Y C -1.580 173.908 175.900 -0.687 0.000 1.154 430 Y CA -2.081 55.740 58.100 -0.466 0.000 1.070 430 Y CB 1.293 39.606 38.460 -0.245 0.000 1.294 430 Y HN 0.285 nan 8.280 nan 0.000 0.475 431 F N 0.802 120.512 119.950 -0.400 0.000 2.523 431 F HA 0.790 5.322 4.527 0.008 0.000 0.329 431 F C -0.134 175.403 175.800 -0.438 0.000 1.061 431 F CA -1.128 56.564 58.000 -0.514 0.000 0.967 431 F CB 2.157 40.663 39.000 -0.822 0.000 1.218 431 F HN 0.371 nan 8.300 nan 0.000 0.480 432 R N 2.233 122.733 120.500 0.000 0.000 2.538 432 R HA 0.528 4.873 4.340 0.008 0.000 0.292 432 R C -1.615 174.587 176.300 -0.164 0.000 1.008 432 R CA -0.746 55.276 56.100 -0.131 0.000 0.896 432 R CB 2.067 32.343 30.300 -0.040 0.000 1.187 432 R HN 0.382 nan 8.270 nan 0.000 0.440 433 I N 4.252 124.682 120.570 -0.233 0.000 2.336 433 I HA 0.367 4.542 4.170 0.008 0.000 0.292 433 I C -0.232 175.731 176.117 -0.256 0.000 0.991 433 I CA -0.393 60.842 61.300 -0.108 0.000 1.227 433 I CB 0.514 38.496 38.000 -0.029 0.000 1.366 433 I HN 0.443 nan 8.210 nan 0.000 0.466 434 F N 4.113 124.191 119.950 0.213 0.000 2.556 434 F HA 0.470 5.002 4.527 0.008 0.000 0.327 434 F C 0.674 176.620 175.800 0.244 0.000 1.059 434 F CA -0.955 57.164 58.000 0.198 0.000 0.953 434 F CB 1.467 40.558 39.000 0.151 0.000 1.227 434 F HN 0.277 nan 8.300 nan 0.000 0.478 435 K N 0.849 121.448 120.400 0.333 0.000 2.249 435 K HA 0.495 4.820 4.320 0.008 0.000 0.280 435 K C 0.716 177.298 176.600 -0.030 0.000 1.033 435 K CA -0.041 56.254 56.287 0.015 0.000 0.946 435 K CB 1.403 33.876 32.500 -0.045 0.000 1.005 435 K HN 0.816 nan 8.250 nan 0.000 0.469 436 A N 4.598 127.327 122.820 -0.151 0.000 1.908 436 A HA -0.121 4.204 4.320 0.008 0.000 0.218 436 A C 0.918 178.436 177.584 -0.110 0.000 1.181 436 A CA 1.356 53.325 52.037 -0.113 0.000 0.627 436 A CB 0.003 18.924 19.000 -0.132 0.000 0.818 436 A HN 0.713 nan 8.150 nan 0.000 0.445 437 R N -0.978 119.449 120.500 -0.123 0.000 2.664 437 R HA 0.190 4.534 4.340 0.008 0.000 0.266 437 R C -1.346 174.899 176.300 -0.091 0.000 1.046 437 R CA -0.560 55.481 56.100 -0.098 0.000 0.885 437 R CB 0.599 30.845 30.300 -0.090 0.000 1.254 437 R HN 0.450 nan 8.270 nan 0.000 0.465 438 Q N 1.985 121.743 119.800 -0.069 0.000 2.269 438 Q HA -0.082 4.262 4.340 0.008 0.000 0.300 438 Q C -0.367 175.601 176.000 -0.053 0.000 1.070 438 Q CA 1.424 57.195 55.803 -0.053 0.000 0.957 438 Q CB -0.013 28.700 28.738 -0.043 0.000 1.131 438 Q HN 0.721 nan 8.270 nan 0.000 0.377 439 N N 1.010 119.683 118.700 -0.045 0.000 2.708 439 N HA -0.233 4.512 4.740 0.008 0.000 0.251 439 N C -0.985 174.490 175.510 -0.059 0.000 1.123 439 N CA 0.689 53.716 53.050 -0.038 0.000 0.739 439 N CB -0.576 37.897 38.487 -0.024 0.000 1.113 439 N HN 0.457 nan 8.380 nan 0.000 0.561 440 S N -0.653 114.982 115.700 -0.108 0.000 2.632 440 S HA 0.363 4.838 4.470 0.008 0.000 0.271 440 S C 0.911 175.390 174.600 -0.202 0.000 1.260 440 S CA -0.489 57.626 58.200 -0.142 0.000 1.010 440 S CB 1.291 64.388 63.200 -0.172 0.000 0.965 440 S HN 0.335 nan 8.310 nan 0.000 0.534 441 N N 1.236 119.855 118.700 -0.136 0.000 2.280 441 N HA 0.165 4.909 4.740 0.008 0.000 0.192 441 N C -0.505 174.948 175.510 -0.095 0.000 1.109 441 N CA 0.206 53.226 53.050 -0.049 0.000 0.855 441 N CB 0.101 38.635 38.487 0.080 0.000 0.974 441 N HN 0.481 nan 8.380 nan 0.000 0.482 442 K N 0.052 120.323 120.400 -0.215 0.000 2.185 442 K HA 0.222 4.547 4.320 0.008 0.000 0.271 442 K C -1.026 175.360 176.600 -0.356 0.000 1.013 442 K CA -0.103 56.106 56.287 -0.130 0.000 0.943 442 K CB 0.877 33.325 32.500 -0.086 0.000 0.998 442 K HN 0.022 nan 8.250 nan 0.000 0.468 443 Y N -0.342 119.995 120.300 0.062 0.000 2.545 443 Y HA 0.363 4.918 4.550 0.008 0.000 0.348 443 Y C -0.531 175.405 175.900 0.059 0.000 1.002 443 Y CA -1.137 57.004 58.100 0.068 0.000 1.039 443 Y CB 1.874 40.373 38.460 0.064 0.000 1.271 443 Y HN 0.122 nan 8.280 nan 0.000 0.467 444 V N 3.570 123.642 119.914 0.263 0.000 2.378 444 V HA 0.408 4.533 4.120 0.008 0.000 0.288 444 V C -0.745 175.545 176.094 0.327 0.000 1.016 444 V CA -0.861 61.551 62.300 0.186 0.000 0.840 444 V CB 1.305 33.168 31.823 0.067 0.000 0.994 444 V HN 0.523 nan 8.190 nan 0.000 0.431 445 V N 6.456 126.528 119.914 0.263 0.000 2.407 445 V HA 0.454 4.579 4.120 0.008 0.000 0.278 445 V C -0.200 176.142 176.094 0.412 0.000 1.037 445 V CA -0.527 61.928 62.300 0.259 0.000 0.900 445 V CB 1.530 33.408 31.823 0.092 0.000 0.983 445 V HN 0.649 nan 8.190 nan 0.000 0.459 446 L N 5.877 127.354 121.223 0.424 0.000 2.317 446 L HA 0.681 5.026 4.340 0.008 0.000 0.281 446 L C -0.425 176.568 176.870 0.205 0.000 1.024 446 L CA -0.241 54.806 54.840 0.344 0.000 0.810 446 L CB 1.492 43.800 42.059 0.414 0.000 1.240 446 L HN 0.775 nan 8.230 nan 0.000 0.427 447 M N 5.283 124.901 119.600 0.030 0.000 2.243 447 M HA 0.515 5.000 4.480 0.008 0.000 0.324 447 M C -1.717 174.381 176.300 -0.337 0.000 1.031 447 M CA -0.289 54.917 55.300 -0.157 0.000 0.949 447 M CB 1.068 33.625 32.600 -0.073 0.000 1.615 447 M HN 0.723 nan 8.290 nan 0.000 0.430 448 c N 2.103 120.343 118.600 -0.599 0.000 2.507 448 c HA 0.668 5.243 4.570 0.008 0.000 0.319 448 c C 0.067 173.854 174.090 -0.504 0.000 1.208 448 c CA -0.803 55.158 56.329 -0.613 0.000 1.619 448 c CB 1.586 43.523 42.510 -0.956 0.000 2.230 448 c HN 0.840 nan 8.230 nan 0.000 0.492 449 S N 1.804 117.353 115.700 -0.252 0.000 2.498 449 S HA 0.367 4.842 4.470 0.008 0.000 0.324 449 S C -1.097 173.419 174.600 -0.141 0.000 1.071 449 S CA -0.168 57.951 58.200 -0.134 0.000 1.113 449 S CB 0.129 63.338 63.200 0.015 0.000 0.976 449 S HN 0.813 nan 8.310 nan 0.000 0.462 450 D N 3.554 123.899 120.400 -0.093 0.000 2.381 450 D HA 0.269 4.914 4.640 0.008 0.000 0.235 450 D C 0.168 176.409 176.300 -0.099 0.000 1.068 450 D CA -0.384 53.571 54.000 -0.076 0.000 0.832 450 D CB 1.312 42.159 40.800 0.077 0.000 1.101 450 D HN 0.648 nan 8.370 nan 0.000 0.515 451 Q N 2.007 121.707 119.800 -0.168 0.000 2.157 451 Q HA 0.070 4.415 4.340 0.008 0.000 0.229 451 Q C 1.043 176.933 176.000 -0.183 0.000 0.827 451 Q CA -0.169 55.533 55.803 -0.169 0.000 1.055 451 Q CB 0.031 28.674 28.738 -0.157 0.000 1.157 451 Q HN 0.379 nan 8.270 nan 0.000 0.482 452 S N 0.960 116.551 115.700 -0.181 0.000 2.442 452 S HA -0.046 4.429 4.470 0.008 0.000 0.236 452 S C 1.368 175.848 174.600 -0.199 0.000 1.007 452 S CA 0.489 58.590 58.200 -0.165 0.000 0.965 452 S CB -0.100 63.022 63.200 -0.130 0.000 0.773 452 S HN 0.362 nan 8.310 nan 0.000 0.504 453 R N 0.918 121.230 120.500 -0.313 0.000 2.690 453 R HA 0.264 4.609 4.340 0.008 0.000 0.419 453 R C 1.114 177.183 176.300 -0.386 0.000 1.090 453 R CA 0.548 56.412 56.100 -0.393 0.000 1.064 453 R CB 0.498 30.419 30.300 -0.632 0.000 1.391 453 R HN 0.600 nan 8.270 nan 0.000 0.586 454 S N -1.219 114.336 115.700 -0.242 0.000 2.496 454 S HA 0.052 4.527 4.470 0.008 0.000 0.224 454 S C 0.842 175.395 174.600 -0.077 0.000 0.996 454 S CA 0.081 58.189 58.200 -0.153 0.000 0.927 454 S CB 0.415 63.542 63.200 -0.123 0.000 0.774 454 S HN 0.080 nan 8.310 nan 0.000 0.524 455 S N -0.891 114.767 115.700 -0.070 0.000 2.541 455 S HA 0.588 5.062 4.470 0.008 0.000 0.271 455 S C 0.178 174.765 174.600 -0.021 0.000 1.133 455 S CA -0.811 57.380 58.200 -0.014 0.000 0.876 455 S CB 1.143 64.349 63.200 0.010 0.000 1.105 455 S HN 0.280 nan 8.310 nan 0.000 0.470 456 L N 2.075 123.303 121.223 0.008 0.000 2.291 456 L HA 0.221 4.566 4.340 0.008 0.000 0.214 456 L C 1.287 178.157 176.870 -0.000 0.000 1.120 456 L CA 0.733 55.575 54.840 0.003 0.000 0.799 456 L CB -0.148 41.925 42.059 0.023 0.000 0.925 456 L HN 0.515 nan 8.230 nan 0.000 0.446 457 K N 0.726 121.130 120.400 0.007 0.000 2.339 457 K HA 0.021 4.346 4.320 0.008 0.000 0.286 457 K C 0.548 177.132 176.600 -0.025 0.000 1.050 457 K CA -0.073 56.210 56.287 -0.006 0.000 0.956 457 K CB 1.060 33.559 32.500 -0.001 0.000 0.990 457 K HN -0.015 nan 8.250 nan 0.000 0.475 458 E N 2.170 122.352 120.200 -0.030 0.000 2.371 458 E HA -0.086 4.269 4.350 0.008 0.000 0.194 458 E C 0.451 177.023 176.600 -0.047 0.000 1.012 458 E CA 0.696 57.073 56.400 -0.038 0.000 0.860 458 E CB 0.202 29.882 29.700 -0.034 0.000 0.811 458 E HN 0.614 nan 8.360 nan 0.000 0.502 459 D N 0.714 121.083 120.400 -0.053 0.000 2.178 459 D HA -0.089 4.555 4.640 0.008 0.000 0.201 459 D C 0.150 176.399 176.300 -0.084 0.000 0.980 459 D CA 0.662 54.621 54.000 -0.069 0.000 0.842 459 D CB -0.201 40.551 40.800 -0.080 0.000 0.948 459 D HN 0.089 nan 8.370 nan 0.000 0.472 460 N N 1.831 120.480 118.700 -0.084 0.000 2.458 460 N HA -0.042 4.702 4.740 0.008 0.000 0.258 460 N C -0.241 175.242 175.510 -0.045 0.000 1.219 460 N CA 0.171 53.177 53.050 -0.073 0.000 0.902 460 N CB 0.496 38.980 38.487 -0.005 0.000 1.076 460 N HN 0.048 nan 8.380 nan 0.000 0.455 461 D N 1.517 121.898 120.400 -0.031 0.000 2.348 461 D HA 0.001 4.645 4.640 0.008 0.000 0.259 461 D C -0.146 176.129 176.300 -0.042 0.000 1.296 461 D CA 0.251 54.233 54.000 -0.030 0.000 0.931 461 D CB 0.188 40.981 40.800 -0.011 0.000 1.067 461 D HN 0.280 nan 8.370 nan 0.000 0.503 462 K N 2.550 122.904 120.400 -0.077 0.000 2.675 462 K HA 0.111 4.436 4.320 0.008 0.000 0.213 462 K C 0.084 176.572 176.600 -0.187 0.000 1.074 462 K CA -0.294 55.921 56.287 -0.120 0.000 1.172 462 K CB 0.343 32.778 32.500 -0.108 0.000 0.927 462 K HN 0.340 nan 8.250 nan 0.000 0.471 463 T N 1.665 116.091 114.554 -0.213 0.000 2.928 463 T HA -0.004 4.350 4.350 0.008 0.000 0.305 463 T C 0.484 174.824 174.700 -0.601 0.000 1.035 463 T CA 0.593 62.512 62.100 -0.301 0.000 1.145 463 T CB 0.847 69.593 68.868 -0.203 0.000 0.963 463 T HN 0.068 nan 8.240 nan 0.000 0.545 464 T N 3.150 117.420 114.554 -0.473 0.000 2.922 464 T HA 0.491 4.846 4.350 0.008 0.000 0.285 464 T C -0.803 173.580 174.700 -0.527 0.000 1.005 464 T CA -0.286 61.512 62.100 -0.502 0.000 1.061 464 T CB 0.262 68.986 68.868 -0.240 0.000 1.007 464 T HN 0.378 nan 8.240 nan 0.000 0.502 465 Y N -0.103 120.134 120.300 -0.106 0.000 2.524 465 Y HA 0.716 5.271 4.550 0.007 0.000 0.344 465 Y C 0.624 176.419 175.900 -0.175 0.000 1.012 465 Y CA -1.256 56.773 58.100 -0.117 0.000 1.068 465 Y CB 2.015 40.415 38.460 -0.100 0.000 1.249 465 Y HN 0.829 nan 8.280 nan 0.000 0.468 466 G N -0.179 108.609 108.800 -0.021 0.000 2.690 466 G HA2 0.809 4.774 3.960 0.008 0.000 0.293 466 G HA3 0.809 4.774 3.960 0.008 0.000 0.293 466 G C -1.951 172.765 174.900 -0.308 0.000 1.399 466 G CA -0.714 44.269 45.100 -0.195 0.000 0.890 466 G HN 0.896 nan 8.290 nan 0.000 0.485 467 A N 0.115 122.672 122.820 -0.438 0.000 2.594 467 A HA 0.729 5.054 4.320 0.008 0.000 0.296 467 A C -1.349 175.960 177.584 -0.460 0.000 1.061 467 A CA -0.777 50.873 52.037 -0.646 0.000 0.689 467 A CB 0.746 19.254 19.000 -0.819 0.000 1.280 467 A HN 0.672 nan 8.150 nan 0.000 0.406 468 F N 1.023 120.843 119.950 -0.217 0.000 2.399 468 F HA 0.480 5.012 4.527 0.008 0.000 0.342 468 F C 0.443 176.213 175.800 -0.050 0.000 1.106 468 F CA -0.369 57.590 58.000 -0.068 0.000 1.196 468 F CB 1.619 40.600 39.000 -0.031 0.000 1.163 468 F HN 0.287 nan 8.300 nan 0.000 0.547 469 V N 1.902 121.963 119.914 0.245 0.000 2.384 469 V HA 0.114 4.239 4.120 0.008 0.000 0.287 469 V C -0.432 175.749 176.094 0.145 0.000 1.020 469 V CA -0.801 61.602 62.300 0.172 0.000 0.850 469 V CB 1.481 33.420 31.823 0.194 0.000 0.987 469 V HN 0.578 nan 8.190 nan 0.000 0.436 470 D N 5.579 126.054 120.400 0.124 0.000 2.608 470 D HA 0.344 4.989 4.640 0.008 0.000 0.224 470 D C -0.219 176.135 176.300 0.090 0.000 1.123 470 D CA 0.116 54.177 54.000 0.102 0.000 1.030 470 D CB -0.244 40.617 40.800 0.101 0.000 1.093 470 D HN 0.617 nan 8.370 nan 0.000 0.497 471 I N -1.575 119.043 120.570 0.080 0.000 2.865 471 I HA 0.487 4.662 4.170 0.008 0.000 0.302 471 I C -0.518 175.638 176.117 0.065 0.000 1.140 471 I CA -1.267 60.071 61.300 0.062 0.000 1.021 471 I CB 1.946 39.970 38.000 0.040 0.000 1.233 471 I HN -0.231 nan 8.210 nan 0.000 0.427 472 N N 5.067 123.811 118.700 0.073 0.000 2.411 472 N HA 0.349 5.094 4.740 0.008 0.000 0.259 472 N C -1.938 173.617 175.510 0.075 0.000 1.103 472 N CA -2.032 51.085 53.050 0.112 0.000 0.954 472 N CB 1.428 39.985 38.487 0.118 0.000 1.085 472 N HN 0.457 nan 8.380 nan 0.000 0.485 473 P HA 0.034 nan 4.420 nan 0.000 0.237 473 P C 0.383 177.592 177.300 -0.152 0.000 1.178 473 P CA 0.800 63.837 63.100 -0.105 0.000 0.766 473 P CB 0.231 31.795 31.700 -0.226 0.000 0.876 474 H N -1.288 117.726 119.070 -0.093 0.000 2.421 474 H HA -0.047 4.514 4.556 0.008 0.000 0.298 474 H C 0.894 176.196 175.328 -0.043 0.000 1.087 474 H CA 1.148 57.157 56.048 -0.066 0.000 1.330 474 H CB -0.362 29.386 29.762 -0.023 0.000 1.388 474 H HN 0.190 nan 8.280 nan 0.000 0.526 475 Q N 0.113 119.964 119.800 0.085 0.000 2.212 475 Q HA 0.281 4.625 4.340 0.008 0.000 0.238 475 Q C -2.339 173.669 176.000 0.014 0.000 0.955 475 Q CA -2.174 53.655 55.803 0.043 0.000 0.906 475 Q CB 0.552 29.316 28.738 0.044 0.000 1.215 475 Q HN 0.072 nan 8.270 nan 0.000 0.478 476 P HA 0.059 nan 4.420 nan 0.000 0.271 476 P C -1.139 176.186 177.300 0.042 0.000 1.216 476 P CA -0.260 62.856 63.100 0.026 0.000 0.776 476 P CB 0.471 32.185 31.700 0.023 0.000 0.881 477 L N 2.504 123.773 121.223 0.076 0.000 2.260 477 L HA 0.233 4.578 4.340 0.008 0.000 0.289 477 L C 0.680 177.678 176.870 0.214 0.000 1.057 477 L CA 0.514 55.385 54.840 0.050 0.000 0.811 477 L CB 0.189 42.177 42.059 -0.119 0.000 1.184 477 L HN 0.272 nan 8.230 nan 0.000 0.429 478 S N 3.531 119.351 115.700 0.201 0.000 2.580 478 S HA 0.665 5.140 4.470 0.008 0.000 0.274 478 S C -0.514 174.376 174.600 0.484 0.000 1.329 478 S CA -0.290 58.081 58.200 0.285 0.000 1.036 478 S CB 0.927 64.258 63.200 0.219 0.000 0.919 478 S HN 0.415 nan 8.310 nan 0.000 0.515 479 L N 3.054 124.548 121.223 0.451 0.000 2.543 479 L HA 0.547 4.892 4.340 0.008 0.000 0.265 479 L C -0.713 176.375 176.870 0.364 0.000 0.945 479 L CA -0.241 54.873 54.840 0.456 0.000 0.869 479 L CB 1.704 44.051 42.059 0.480 0.000 1.294 479 L HN 0.677 nan 8.230 nan 0.000 0.405 480 R N 3.628 124.363 120.500 0.391 0.000 2.778 480 R HA 0.977 5.322 4.340 0.008 0.000 0.277 480 R C -1.503 174.973 176.300 0.294 0.000 0.977 480 R CA -0.366 55.932 56.100 0.330 0.000 0.950 480 R CB 2.002 32.467 30.300 0.275 0.000 1.165 480 R HN 0.817 nan 8.270 nan 0.000 0.474 481 A N 4.777 127.738 122.820 0.236 0.000 2.476 481 A HA 0.357 4.682 4.320 0.008 0.000 0.280 481 A C -1.276 176.430 177.584 0.204 0.000 1.081 481 A CA -0.660 51.496 52.037 0.198 0.000 0.753 481 A CB 0.894 19.982 19.000 0.147 0.000 1.248 481 A HN 0.636 nan 8.150 nan 0.000 0.424 482 L N 3.210 124.580 121.223 0.246 0.000 2.290 482 L HA 0.479 4.824 4.340 0.008 0.000 0.284 482 L C -0.569 176.460 176.870 0.265 0.000 1.078 482 L CA -0.006 55.013 54.840 0.298 0.000 0.815 482 L CB 0.878 43.166 42.059 0.383 0.000 1.162 482 L HN 0.580 nan 8.230 nan 0.000 0.435 483 I N 3.345 124.081 120.570 0.277 0.000 2.436 483 I HA 0.315 4.490 4.170 0.008 0.000 0.289 483 I C -0.695 175.517 176.117 0.159 0.000 1.010 483 I CA -0.224 61.169 61.300 0.154 0.000 1.098 483 I CB 1.963 40.022 38.000 0.099 0.000 1.266 483 I HN 0.454 nan 8.210 nan 0.000 0.434 484 D N 5.612 126.002 120.400 -0.016 0.000 2.978 484 D HA 0.217 4.862 4.640 0.008 0.000 0.268 484 D C 0.569 176.837 176.300 -0.054 0.000 1.252 484 D CA 0.011 53.938 54.000 -0.122 0.000 0.771 484 D CB 0.155 40.692 40.800 -0.438 0.000 1.361 484 D HN 0.693 nan 8.370 nan 0.000 0.558 485 H N 0.176 119.242 119.070 -0.007 0.000 4.891 485 H HA -0.271 4.286 4.556 0.002 0.000 0.059 485 H C 1.038 176.381 175.328 0.025 0.000 0.587 485 H CA 2.197 58.266 56.048 0.035 0.000 0.970 485 H CB -1.562 28.231 29.762 0.051 0.000 0.535 485 H HN 0.449 nan 8.280 nan 0.000 0.802 486 S N 1.172 116.923 115.700 0.086 0.000 2.701 486 S HA 0.502 4.976 4.470 0.008 0.000 0.242 486 S C 0.291 174.728 174.600 -0.272 0.000 1.025 486 S CA 0.383 58.493 58.200 -0.150 0.000 1.016 486 S CB 1.469 64.601 63.200 -0.113 0.000 0.977 486 S HN 0.383 nan 8.310 nan 0.000 0.546 487 V N 1.151 120.931 119.914 -0.224 0.000 2.735 487 V HA 0.783 4.908 4.120 0.008 0.000 0.310 487 V C -1.627 174.366 176.094 -0.168 0.000 1.061 487 V CA -0.652 61.493 62.300 -0.257 0.000 0.913 487 V CB 2.081 33.633 31.823 -0.452 0.000 1.005 487 V HN 0.198 nan 8.190 nan 0.000 0.428 488 V N 6.174 126.027 119.914 -0.101 0.000 2.482 488 V HA 0.520 4.645 4.120 0.008 0.000 0.295 488 V C -0.434 175.642 176.094 -0.031 0.000 1.026 488 V CA -0.568 61.715 62.300 -0.030 0.000 0.856 488 V CB 1.680 33.491 31.823 -0.019 0.000 1.001 488 V HN 0.960 nan 8.190 nan 0.000 0.424 489 E N 2.736 122.948 120.200 0.019 0.000 2.109 489 E HA 0.553 4.908 4.350 0.008 0.000 0.278 489 E C -0.715 175.770 176.600 -0.193 0.000 0.954 489 E CA -0.313 56.031 56.400 -0.094 0.000 0.779 489 E CB 1.766 31.522 29.700 0.092 0.000 1.093 489 E HN 0.591 nan 8.360 nan 0.000 0.401 490 S N 2.592 118.039 115.700 -0.422 0.000 2.472 490 S HA 0.557 5.032 4.470 0.008 0.000 0.303 490 S C -0.891 173.366 174.600 -0.572 0.000 1.099 490 S CA -0.670 57.356 58.200 -0.290 0.000 1.077 490 S CB 0.508 63.611 63.200 -0.162 0.000 1.031 490 S HN 0.311 nan 8.310 nan 0.000 0.487 491 F N 1.171 121.159 119.950 0.063 0.000 2.553 491 F HA 0.539 5.070 4.527 0.007 0.000 0.335 491 F C 0.696 176.646 175.800 0.251 0.000 1.148 491 F CA -0.684 57.405 58.000 0.149 0.000 0.963 491 F CB 1.647 40.742 39.000 0.158 0.000 1.217 491 F HN 0.666 nan 8.300 nan 0.000 0.441 492 G N 0.578 109.595 108.800 0.362 0.000 2.356 492 G HA2 0.475 4.439 3.960 0.008 0.000 0.322 492 G HA3 0.475 4.439 3.960 0.008 0.000 0.322 492 G C 0.503 175.635 174.900 0.386 0.000 1.125 492 G CA -0.435 44.929 45.100 0.441 0.000 0.885 492 G HN 1.207 nan 8.290 nan 0.000 0.467 493 G N 1.205 110.218 108.800 0.355 0.000 2.256 493 G HA2 -0.067 3.898 3.960 0.008 0.000 0.272 493 G HA3 -0.067 3.898 3.960 0.008 0.000 0.272 493 G C 0.623 175.629 174.900 0.177 0.000 1.076 493 G CA 0.708 45.936 45.100 0.213 0.000 0.882 493 G HN 1.867 nan 8.290 nan 0.000 0.497 494 K N -1.710 118.808 120.400 0.196 0.000 3.071 494 K HA -0.007 4.318 4.320 0.008 0.000 0.262 494 K C 1.624 178.267 176.600 0.072 0.000 0.977 494 K CA 2.344 58.610 56.287 -0.035 0.000 0.721 494 K CB -1.511 30.862 32.500 -0.212 0.000 1.293 494 K HN 2.450 nan 8.250 nan 0.000 0.475 495 G N -0.802 108.249 108.800 0.418 0.000 2.131 495 G HA2 -0.317 3.647 3.960 0.008 0.000 0.223 495 G HA3 -0.317 3.647 3.960 0.008 0.000 0.223 495 G C 0.750 175.776 174.900 0.211 0.000 0.990 495 G CA 0.369 45.727 45.100 0.429 0.000 0.671 495 G HN 0.479 nan 8.290 nan 0.000 0.521 496 R N -0.055 120.561 120.500 0.193 0.000 2.173 496 R HA 0.489 4.834 4.340 0.008 0.000 0.208 496 R C 1.265 177.672 176.300 0.178 0.000 1.035 496 R CA 1.182 57.374 56.100 0.152 0.000 1.004 496 R CB 0.337 30.718 30.300 0.135 0.000 0.917 496 R HN 0.690 nan 8.270 nan 0.000 0.462 497 A N 0.528 123.463 122.820 0.191 0.000 2.335 497 A HA 0.507 4.832 4.320 0.008 0.000 0.304 497 A C -0.908 176.741 177.584 0.108 0.000 1.118 497 A CA -0.688 51.428 52.037 0.133 0.000 0.757 497 A CB 0.981 20.024 19.000 0.072 0.000 1.188 497 A HN 0.209 nan 8.150 nan 0.000 0.460 498 C N 2.463 121.800 119.300 0.061 0.000 2.417 498 C HA 0.755 5.219 4.460 0.008 0.000 0.324 498 C C -0.156 174.719 174.990 -0.190 0.000 1.240 498 C CA -0.510 58.397 59.018 -0.185 0.000 1.632 498 C CB 0.068 27.677 27.740 -0.218 0.000 2.241 498 C HN 0.706 nan 8.230 nan 0.000 0.499 499 I N 2.544 122.925 120.570 -0.314 0.000 2.497 499 I HA 0.262 4.437 4.170 0.008 0.000 0.284 499 I C -0.203 175.756 176.117 -0.264 0.000 1.060 499 I CA 0.174 61.331 61.300 -0.239 0.000 1.071 499 I CB 1.761 39.681 38.000 -0.133 0.000 1.216 499 I HN 0.599 nan 8.210 nan 0.000 0.442 500 T N 4.164 118.566 114.554 -0.253 0.000 2.837 500 T HA 0.543 4.898 4.350 0.008 0.000 0.285 500 T C 0.018 174.655 174.700 -0.105 0.000 0.984 500 T CA -0.552 61.456 62.100 -0.154 0.000 1.049 500 T CB 1.317 70.150 68.868 -0.059 0.000 0.947 500 T HN 0.709 nan 8.240 nan 0.000 0.472 501 S N 2.888 118.581 115.700 -0.012 0.000 2.595 501 S HA 0.785 5.260 4.470 0.008 0.000 0.281 501 S C -1.307 173.280 174.600 -0.022 0.000 1.117 501 S CA -1.283 56.980 58.200 0.105 0.000 0.873 501 S CB 1.833 65.143 63.200 0.183 0.000 1.108 501 S HN 0.436 nan 8.310 nan 0.000 0.477 502 R N 1.048 121.529 120.500 -0.033 0.000 2.480 502 R HA 0.746 5.091 4.340 0.008 0.000 0.306 502 R C -0.768 175.335 176.300 -0.328 0.000 0.958 502 R CA -0.674 55.303 56.100 -0.204 0.000 0.861 502 R CB 1.370 31.608 30.300 -0.103 0.000 1.171 502 R HN 0.914 nan 8.270 nan 0.000 0.445 503 V N -0.118 119.427 119.914 -0.614 0.000 3.007 503 V HA 0.650 4.775 4.120 0.008 0.000 0.311 503 V C -1.252 174.294 176.094 -0.913 0.000 1.120 503 V CA -0.955 61.030 62.300 -0.525 0.000 0.980 503 V CB 2.390 34.075 31.823 -0.229 0.000 1.033 503 V HN 0.704 nan 8.190 nan 0.000 0.429 504 Y N 1.867 122.011 120.300 -0.260 0.000 2.535 504 Y HA 0.548 5.103 4.550 0.008 0.000 0.351 504 Y C -2.738 173.054 175.900 -0.180 0.000 1.050 504 Y CA -2.246 55.503 58.100 -0.585 0.000 1.168 504 Y CB 1.242 39.149 38.460 -0.922 0.000 1.116 504 Y HN 0.493 nan 8.280 nan 0.000 0.654 505 P HA 0.142 nan 4.420 nan 0.000 0.271 505 P C 0.460 177.940 177.300 0.300 0.000 1.218 505 P CA -0.282 62.933 63.100 0.191 0.000 0.780 505 P CB 1.525 33.322 31.700 0.162 0.000 0.901 506 K N 1.281 121.800 120.400 0.198 0.000 2.137 506 K HA 0.141 4.466 4.320 0.008 0.000 0.202 506 K C 1.604 178.287 176.600 0.137 0.000 1.052 506 K CA 1.340 57.734 56.287 0.178 0.000 0.961 506 K CB -0.407 32.166 32.500 0.121 0.000 0.741 506 K HN 0.356 nan 8.250 nan 0.000 0.452 507 L N -0.707 120.593 121.223 0.127 0.000 2.269 507 L HA 0.260 4.605 4.340 0.008 0.000 0.200 507 L C 0.765 177.715 176.870 0.133 0.000 1.069 507 L CA 0.122 55.032 54.840 0.117 0.000 0.804 507 L CB -0.183 41.943 42.059 0.111 0.000 0.987 507 L HN -0.086 nan 8.230 nan 0.000 0.468 508 A N 1.746 124.657 122.820 0.150 0.000 2.981 508 A HA 0.456 4.781 4.320 0.008 0.000 0.280 508 A C -0.106 177.561 177.584 0.139 0.000 1.743 508 A CA 0.227 52.356 52.037 0.153 0.000 1.430 508 A CB -1.166 17.932 19.000 0.164 0.000 1.085 508 A HN 0.266 nan 8.150 nan 0.000 0.597 509 I N 0.917 121.555 120.570 0.112 0.000 2.533 509 I HA 0.507 4.682 4.170 0.008 0.000 0.290 509 I C 1.147 177.312 176.117 0.080 0.000 1.056 509 I CA -0.136 61.228 61.300 0.106 0.000 1.057 509 I CB 2.007 40.048 38.000 0.068 0.000 1.240 509 I HN 0.748 nan 8.210 nan 0.000 0.423 510 G N 5.721 114.588 108.800 0.112 0.000 2.665 510 G HA2 -0.379 3.586 3.960 0.008 0.000 0.326 510 G HA3 -0.379 3.586 3.960 0.008 0.000 0.326 510 G C 0.809 175.720 174.900 0.019 0.000 1.231 510 G CA 0.873 46.028 45.100 0.091 0.000 0.992 510 G HN 0.687 nan 8.290 nan 0.000 0.549 511 K N 0.646 121.051 120.400 0.009 0.000 2.365 511 K HA 0.179 4.504 4.320 0.008 0.000 0.199 511 K C 2.595 179.147 176.600 -0.080 0.000 1.045 511 K CA 1.175 57.443 56.287 -0.031 0.000 0.962 511 K CB -0.051 32.445 32.500 -0.007 0.000 0.759 511 K HN 0.239 nan 8.250 nan 0.000 0.469 512 S N 0.802 116.486 115.700 -0.027 0.000 2.593 512 S HA 0.003 4.478 4.470 0.008 0.000 0.217 512 S C 0.440 175.038 174.600 -0.002 0.000 0.966 512 S CA -0.132 58.074 58.200 0.011 0.000 0.914 512 S CB 0.078 63.330 63.200 0.086 0.000 0.776 512 S HN 0.320 nan 8.310 nan 0.000 0.523 513 S N 1.823 117.478 115.700 -0.076 0.000 2.586 513 S HA 0.455 4.930 4.470 0.008 0.000 0.274 513 S C -0.520 173.936 174.600 -0.240 0.000 1.281 513 S CA -0.618 57.569 58.200 -0.021 0.000 1.035 513 S CB 0.792 63.995 63.200 0.007 0.000 0.962 513 S HN 0.386 nan 8.310 nan 0.000 0.512 514 H N 0.467 119.553 119.070 0.026 0.000 2.894 514 H HA 0.632 5.196 4.556 0.013 0.000 0.368 514 H C -1.298 173.932 175.328 -0.164 0.000 1.181 514 H CA -0.822 55.155 56.048 -0.119 0.000 1.146 514 H CB 1.827 31.506 29.762 -0.140 0.000 1.839 514 H HN 0.538 nan 8.280 nan 0.000 0.557 515 L N 1.740 122.785 121.223 -0.297 0.000 2.381 515 L HA 0.478 4.823 4.340 0.008 0.000 0.274 515 L C -1.874 174.702 176.870 -0.491 0.000 0.988 515 L CA -0.380 54.331 54.840 -0.215 0.000 0.824 515 L CB 0.856 42.840 42.059 -0.126 0.000 1.263 515 L HN 0.381 nan 8.230 nan 0.000 0.410 516 F N 3.384 123.347 119.950 0.023 0.000 2.563 516 F HA 0.835 5.369 4.527 0.011 0.000 0.316 516 F C 0.368 176.234 175.800 0.110 0.000 1.076 516 F CA -0.611 57.401 58.000 0.020 0.000 0.921 516 F CB 2.049 41.041 39.000 -0.014 0.000 1.209 516 F HN 0.647 nan 8.300 nan 0.000 0.462 517 A N 2.759 125.758 122.820 0.299 0.000 2.303 517 A HA 0.856 5.181 4.320 0.008 0.000 0.317 517 A C -1.201 176.596 177.584 0.355 0.000 1.149 517 A CA -0.379 51.855 52.037 0.327 0.000 0.822 517 A CB 0.473 19.618 19.000 0.242 0.000 1.131 517 A HN 0.793 nan 8.150 nan 0.000 0.493 518 F N 0.316 120.301 119.950 0.058 0.000 2.668 518 F HA 0.756 5.288 4.527 0.008 0.000 0.309 518 F C -1.220 174.481 175.800 -0.167 0.000 1.117 518 F CA -1.103 56.813 58.000 -0.140 0.000 0.951 518 F CB 1.801 40.538 39.000 -0.440 0.000 1.323 518 F HN 0.444 nan 8.300 nan 0.000 0.451 519 N N 2.014 120.557 118.700 -0.261 0.000 2.571 519 N HA 0.297 5.042 4.740 0.008 0.000 0.286 519 N C -1.775 173.772 175.510 0.061 0.000 1.138 519 N CA -0.615 52.285 53.050 -0.250 0.000 0.859 519 N CB 0.632 39.046 38.487 -0.122 0.000 1.414 519 N HN 0.818 nan 8.380 nan 0.000 0.529 520 Y N 0.899 121.190 120.300 -0.016 0.000 2.607 520 Y HA 0.365 4.920 4.550 0.008 0.000 0.266 520 Y C 1.594 177.416 175.900 -0.131 0.000 1.178 520 Y CA -0.958 57.127 58.100 -0.025 0.000 1.226 520 Y CB 0.935 39.410 38.460 0.026 0.000 1.144 520 Y HN 0.482 nan 8.280 nan 0.000 0.528 521 G N -0.788 108.021 108.800 0.014 0.000 2.580 521 G HA2 0.062 4.027 3.960 0.008 0.000 0.278 521 G HA3 0.062 4.027 3.960 0.008 0.000 0.278 521 G C -0.044 174.807 174.900 -0.081 0.000 1.212 521 G CA -0.280 44.777 45.100 -0.071 0.000 0.939 521 G HN 0.332 nan 8.290 nan 0.000 0.513 522 Y N -0.508 119.813 120.300 0.034 0.000 2.184 522 Y HA -0.040 4.515 4.550 0.009 0.000 0.290 522 Y C 2.004 177.907 175.900 0.006 0.000 1.129 522 Y CA 0.697 58.809 58.100 0.021 0.000 1.144 522 Y CB 0.158 38.629 38.460 0.018 0.000 0.995 522 Y HN 0.204 nan 8.280 nan 0.000 0.513 523 Q N 0.982 120.875 119.800 0.154 0.000 2.368 523 Q HA 0.154 4.499 4.340 0.008 0.000 0.237 523 Q C 0.075 176.074 176.000 -0.001 0.000 0.987 523 Q CA -0.142 55.694 55.803 0.056 0.000 0.896 523 Q CB 1.244 29.994 28.738 0.019 0.000 1.241 523 Q HN 0.213 nan 8.270 nan 0.000 0.485 524 S N -0.540 115.142 115.700 -0.029 0.000 2.616 524 S HA 0.683 5.158 4.470 0.008 0.000 0.277 524 S C 0.154 174.671 174.600 -0.137 0.000 1.234 524 S CA -0.828 57.335 58.200 -0.062 0.000 1.028 524 S CB 1.241 64.423 63.200 -0.030 0.000 0.988 524 S HN 0.437 nan 8.310 nan 0.000 0.522 525 V N -1.190 118.608 119.914 -0.193 0.000 2.864 525 V HA 0.652 4.777 4.120 0.008 0.000 0.314 525 V C -1.183 174.835 176.094 -0.127 0.000 1.073 525 V CA -1.028 61.101 62.300 -0.285 0.000 0.956 525 V CB 1.703 33.114 31.823 -0.686 0.000 1.023 525 V HN 0.828 nan 8.190 nan 0.000 0.435 526 D N 2.067 122.414 120.400 -0.087 0.000 2.198 526 D HA 0.450 5.095 4.640 0.008 0.000 0.245 526 D C -0.360 175.952 176.300 0.020 0.000 1.079 526 D CA -0.135 53.848 54.000 -0.027 0.000 0.854 526 D CB 2.167 42.943 40.800 -0.039 0.000 1.148 526 D HN 0.480 nan 8.370 nan 0.000 0.456 527 V N 4.242 124.157 119.914 0.001 0.000 2.322 527 V HA 0.053 4.178 4.120 0.008 0.000 0.258 527 V C 1.767 177.803 176.094 -0.097 0.000 1.074 527 V CA -0.157 62.085 62.300 -0.097 0.000 0.909 527 V CB 0.421 32.186 31.823 -0.096 0.000 1.090 527 V HN 0.497 nan 8.190 nan 0.000 0.486 528 L N 2.879 124.041 121.223 -0.102 0.000 2.046 528 L HA -0.031 4.313 4.340 0.008 0.000 0.208 528 L C 0.996 177.819 176.870 -0.079 0.000 1.077 528 L CA 1.435 56.233 54.840 -0.071 0.000 0.747 528 L CB -0.034 41.993 42.059 -0.054 0.000 0.896 528 L HN 0.716 nan 8.230 nan 0.000 0.432 529 N N -1.045 117.586 118.700 -0.114 0.000 2.446 529 N HA 0.440 5.184 4.740 0.008 0.000 0.272 529 N C -2.002 173.420 175.510 -0.147 0.000 1.127 529 N CA -0.505 52.483 53.050 -0.104 0.000 0.896 529 N CB 1.680 40.128 38.487 -0.064 0.000 1.658 529 N HN -0.170 nan 8.380 nan 0.000 0.483 530 L N 2.705 123.842 121.223 -0.143 0.000 2.541 530 L HA 0.625 4.970 4.340 0.008 0.000 0.266 530 L C -1.749 174.993 176.870 -0.213 0.000 0.966 530 L CA -0.545 54.198 54.840 -0.162 0.000 0.871 530 L CB 1.221 43.188 42.059 -0.152 0.000 1.232 530 L HN 0.579 nan 8.230 nan 0.000 0.408 531 N N 4.480 123.011 118.700 -0.281 0.000 2.446 531 N HA 0.728 5.473 4.740 0.008 0.000 0.265 531 N C -0.819 174.286 175.510 -0.676 0.000 0.975 531 N CA -0.249 52.427 53.050 -0.623 0.000 0.928 531 N CB 2.210 40.155 38.487 -0.903 0.000 1.160 531 N HN 0.749 nan 8.380 nan 0.000 0.495 532 A N 3.216 125.671 122.820 -0.608 0.000 2.285 532 A HA 0.495 4.820 4.320 0.008 0.000 0.310 532 A C -0.843 176.523 177.584 -0.363 0.000 1.266 532 A CA -0.771 51.069 52.037 -0.329 0.000 0.832 532 A CB 0.811 19.709 19.000 -0.171 0.000 1.163 532 A HN 0.569 nan 8.150 nan 0.000 0.499 533 W N 2.285 123.568 121.300 -0.027 0.000 2.433 533 W HA 0.348 5.010 4.660 0.002 0.000 0.315 533 W C -0.015 176.476 176.519 -0.047 0.000 1.087 533 W CA -0.621 56.700 57.345 -0.041 0.000 1.205 533 W CB 1.829 31.254 29.460 -0.058 0.000 1.288 533 W HN 0.603 nan 8.180 nan 0.000 0.504 534 S N 3.479 119.269 115.700 0.151 0.000 2.560 534 S HA 0.224 4.699 4.470 0.008 0.000 0.284 534 S C 0.303 174.941 174.600 0.062 0.000 1.327 534 S CA -0.106 58.145 58.200 0.085 0.000 1.055 534 S CB 0.375 63.608 63.200 0.054 0.000 0.868 534 S HN 0.194 nan 8.310 nan 0.000 0.506 535 M N 3.789 123.397 119.600 0.012 0.000 2.114 535 M HA 0.314 4.799 4.480 0.008 0.000 0.332 535 M C -0.313 175.965 176.300 -0.037 0.000 1.014 535 M CA -0.722 54.512 55.300 -0.109 0.000 0.956 535 M CB 1.096 33.495 32.600 -0.335 0.000 1.551 535 M HN 0.477 nan 8.290 nan 0.000 0.427 536 N N 1.197 119.865 118.700 -0.053 0.000 2.453 536 N HA 0.162 4.907 4.740 0.008 0.000 0.253 536 N C -0.200 175.338 175.510 0.047 0.000 1.252 536 N CA 0.214 53.266 53.050 0.004 0.000 0.917 536 N CB 0.706 39.183 38.487 -0.017 0.000 1.117 536 N HN 0.483 nan 8.380 nan 0.000 0.442 537 S N 0.311 116.070 115.700 0.098 0.000 2.576 537 S HA 0.363 4.838 4.470 0.008 0.000 0.276 537 S C 0.259 174.925 174.600 0.109 0.000 1.339 537 S CA -0.751 57.539 58.200 0.149 0.000 1.039 537 S CB 0.727 63.993 63.200 0.111 0.000 0.902 537 S HN 0.629 nan 8.310 nan 0.000 0.516 538 A N 1.958 124.872 122.820 0.157 0.000 2.310 538 A HA 0.494 4.819 4.320 0.008 0.000 0.299 538 A C -0.016 177.617 177.584 0.082 0.000 1.147 538 A CA -0.573 51.535 52.037 0.118 0.000 0.818 538 A CB 0.399 19.514 19.000 0.191 0.000 1.096 538 A HN 0.629 nan 8.150 nan 0.000 0.495 539 Q N 1.722 121.551 119.800 0.049 0.000 2.344 539 Q HA 0.493 4.838 4.340 0.008 0.000 0.253 539 Q C -1.204 174.836 176.000 0.066 0.000 1.050 539 Q CA 0.685 56.505 55.803 0.029 0.000 0.912 539 Q CB -0.293 28.445 28.738 0.000 0.000 1.258 539 Q HN 0.530 nan 8.270 nan 0.000 0.443 540 I N 2.971 123.574 120.570 0.054 0.000 2.465 540 I HA 0.280 4.455 4.170 0.008 0.000 0.291 540 I C 0.243 176.338 176.117 -0.037 0.000 1.014 540 I CA -0.929 60.428 61.300 0.095 0.000 1.093 540 I CB 1.806 39.840 38.000 0.055 0.000 1.267 540 I HN 0.810 nan 8.210 nan 0.000 0.431 541 S N 0.000 115.700 115.700 -0.000 0.000 2.498 541 S HA 0.000 4.475 4.470 0.008 0.000 0.327 541 S CA 0.000 58.130 58.200 -0.117 0.000 1.107 541 S CB 0.000 63.075 63.200 -0.209 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517