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 1we3_1_L DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.555 177.584 -0.048 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 3 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 4 K N 0.503 120.877 120.400 -0.045 0.000 2.520 4 K HA 0.728 5.048 4.320 0.000 0.000 0.256 4 K C -0.282 176.285 176.600 -0.055 0.000 1.033 4 K CA -0.535 55.715 56.287 -0.063 0.000 1.007 4 K CB 1.312 33.780 32.500 -0.053 0.000 1.330 4 K HN 0.922 nan 8.250 nan 0.000 0.507 5 I N 0.857 121.388 120.570 -0.065 0.000 2.637 5 I HA 0.196 4.366 4.170 0.000 0.000 0.285 5 I C -1.526 174.548 176.117 -0.071 0.000 1.222 5 I CA -0.542 60.728 61.300 -0.049 0.000 1.067 5 I CB 0.791 38.761 38.000 -0.050 0.000 1.279 5 I HN 0.359 nan 8.210 nan 0.000 0.441 6 L N 7.211 128.400 121.223 -0.056 0.000 2.399 6 L HA 0.679 5.019 4.340 0.000 0.000 0.266 6 L C -0.683 176.080 176.870 -0.178 0.000 1.114 6 L CA -0.717 54.022 54.840 -0.168 0.000 0.804 6 L CB 1.652 43.663 42.059 -0.081 0.000 1.146 6 L HN 0.353 nan 8.230 nan 0.000 0.451 7 V N 2.006 121.654 119.914 -0.444 0.000 2.817 7 V HA 0.427 4.547 4.120 0.000 0.000 0.303 7 V C -0.869 174.950 176.094 -0.459 0.000 1.151 7 V CA -0.541 61.618 62.300 -0.236 0.000 0.929 7 V CB 1.851 33.605 31.823 -0.115 0.000 1.030 7 V HN 0.430 nan 8.190 nan 0.000 0.427 8 F N 0.617 120.568 119.950 0.003 0.000 2.671 8 F HA 0.637 5.164 4.527 -0.000 0.000 0.373 8 F C 1.093 176.894 175.800 0.003 0.000 1.122 8 F CA -0.616 57.386 58.000 0.002 0.000 1.082 8 F CB 0.428 39.428 39.000 0.001 0.000 1.399 8 F HN 0.596 nan 8.300 nan 0.000 0.509 9 D N 0.149 120.687 120.400 0.230 0.000 3.386 9 D HA -0.332 4.308 4.640 0.000 0.000 0.179 9 D C 1.374 177.719 176.300 0.075 0.000 1.267 9 D CA 1.584 55.658 54.000 0.122 0.000 0.931 9 D CB -0.560 40.303 40.800 0.105 0.000 0.533 9 D HN 0.789 nan 8.370 nan 0.000 0.543 10 E N 0.737 120.972 120.200 0.058 0.000 2.130 10 E HA -0.213 4.137 4.350 0.000 0.000 0.196 10 E C 2.106 178.729 176.600 0.038 0.000 0.998 10 E CA 1.452 57.876 56.400 0.040 0.000 0.806 10 E CB -0.229 29.490 29.700 0.032 0.000 0.738 10 E HN 0.434 nan 8.360 nan 0.000 0.459 11 A N 1.186 124.038 122.820 0.053 0.000 1.873 11 A HA -0.258 4.063 4.320 0.000 0.000 0.218 11 A C 2.362 179.963 177.584 0.028 0.000 1.193 11 A CA 2.321 54.386 52.037 0.046 0.000 0.629 11 A CB -0.893 18.150 19.000 0.071 0.000 0.826 11 A HN 0.408 nan 8.150 nan 0.000 0.447 12 A N -0.600 122.233 122.820 0.022 0.000 1.841 12 A HA -0.132 4.188 4.320 0.000 0.000 0.214 12 A C 2.217 179.800 177.584 -0.002 0.000 1.195 12 A CA 1.532 53.564 52.037 -0.009 0.000 0.611 12 A CB -0.555 18.421 19.000 -0.040 0.000 0.835 12 A HN 0.535 nan 8.150 nan 0.000 0.443 13 R N -0.931 119.574 120.500 0.008 0.000 2.117 13 R HA -0.136 4.204 4.340 0.000 0.000 0.243 13 R C 2.359 178.664 176.300 0.008 0.000 1.143 13 R CA 1.494 57.599 56.100 0.008 0.000 0.968 13 R CB -0.290 30.019 30.300 0.014 0.000 0.863 13 R HN 0.323 nan 8.270 nan 0.000 0.444 14 R N 0.174 120.681 120.500 0.011 0.000 2.092 14 R HA -0.003 4.338 4.340 0.000 0.000 0.231 14 R C 2.182 178.487 176.300 0.008 0.000 1.119 14 R CA 1.383 57.489 56.100 0.011 0.000 0.970 14 R CB -0.752 29.556 30.300 0.014 0.000 0.864 14 R HN 0.255 nan 8.270 nan 0.000 0.440 15 A N 1.466 124.291 122.820 0.007 0.000 1.858 15 A HA -0.121 4.200 4.320 0.000 0.000 0.216 15 A C 2.412 179.998 177.584 0.003 0.000 1.190 15 A CA 1.181 53.221 52.037 0.005 0.000 0.617 15 A CB -0.706 18.297 19.000 0.004 0.000 0.827 15 A HN 0.181 nan 8.150 nan 0.000 0.443 16 L N -0.709 120.514 121.223 0.000 0.000 2.013 16 L HA -0.269 4.071 4.340 0.000 0.000 0.212 16 L C 2.734 179.605 176.870 0.001 0.000 1.073 16 L CA 2.096 56.936 54.840 -0.000 0.000 0.753 16 L CB -0.690 41.367 42.059 -0.003 0.000 0.890 16 L HN 0.666 nan 8.230 nan 0.000 0.432 17 E N 0.486 120.688 120.200 0.002 0.000 2.097 17 E HA -0.276 4.074 4.350 0.000 0.000 0.196 17 E C 2.328 178.929 176.600 0.002 0.000 1.000 17 E CA 1.343 57.745 56.400 0.003 0.000 0.804 17 E CB 0.032 29.735 29.700 0.005 0.000 0.740 17 E HN 0.356 nan 8.360 nan 0.000 0.454 18 R N -0.361 120.141 120.500 0.002 0.000 2.083 18 R HA -0.134 4.206 4.340 0.000 0.000 0.237 18 R C 2.540 178.839 176.300 -0.001 0.000 1.137 18 R CA 1.368 57.469 56.100 0.001 0.000 0.951 18 R CB -0.603 29.698 30.300 0.002 0.000 0.851 18 R HN 0.326 nan 8.270 nan 0.000 0.434 19 G N 0.282 109.081 108.800 -0.001 0.000 2.433 19 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 19 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 19 G C 1.469 176.368 174.900 -0.003 0.000 1.186 19 G CA 0.897 45.995 45.100 -0.003 0.000 0.779 19 G HN 0.151 nan 8.290 nan 0.000 0.543 20 V N 1.691 121.604 119.914 -0.001 0.000 2.317 20 V HA -0.276 3.844 4.120 0.000 0.000 0.251 20 V C 2.680 178.773 176.094 -0.000 0.000 1.065 20 V CA 2.094 64.394 62.300 -0.000 0.000 1.049 20 V CB -0.456 31.368 31.823 0.001 0.000 0.651 20 V HN 0.377 nan 8.190 nan 0.000 0.450 21 N N 0.003 118.703 118.700 -0.000 0.000 2.216 21 N HA -0.075 4.665 4.740 0.000 0.000 0.183 21 N C 1.958 177.468 175.510 -0.001 0.000 1.017 21 N CA 1.487 54.538 53.050 0.000 0.000 0.861 21 N CB -0.373 38.114 38.487 0.001 0.000 0.986 21 N HN 0.499 nan 8.380 nan 0.000 0.428 22 A N 1.200 124.018 122.820 -0.003 0.000 1.873 22 A HA -0.145 4.175 4.320 0.000 0.000 0.218 22 A C 2.538 180.119 177.584 -0.005 0.000 1.193 22 A CA 1.718 53.752 52.037 -0.005 0.000 0.629 22 A CB -0.922 18.074 19.000 -0.008 0.000 0.826 22 A HN 0.095 nan 8.150 nan 0.000 0.447 23 V N -0.316 119.595 119.914 -0.004 0.000 2.221 23 V HA -0.212 3.908 4.120 0.000 0.000 0.242 23 V C 3.079 179.172 176.094 -0.002 0.000 1.041 23 V CA 2.052 64.350 62.300 -0.004 0.000 0.995 23 V CB -1.527 30.294 31.823 -0.003 0.000 0.635 23 V HN 0.649 nan 8.190 nan 0.000 0.448 24 A N 0.600 123.420 122.820 -0.001 0.000 1.940 24 A HA -0.322 3.998 4.320 0.000 0.000 0.221 24 A C 2.007 179.592 177.584 0.001 0.000 1.190 24 A CA 2.506 54.544 52.037 0.001 0.000 0.647 24 A CB -0.854 18.147 19.000 0.002 0.000 0.821 24 A HN 0.656 nan 8.150 nan 0.000 0.457 25 N N -0.204 118.496 118.700 0.000 0.000 2.270 25 N HA -0.015 4.726 4.740 0.000 0.000 0.181 25 N C 1.799 177.309 175.510 0.000 0.000 1.016 25 N CA 1.348 54.398 53.050 0.001 0.000 0.870 25 N CB -0.425 38.062 38.487 0.000 0.000 0.979 25 N HN 0.527 nan 8.380 nan 0.000 0.431 26 A N 0.442 123.261 122.820 -0.001 0.000 1.930 26 A HA 0.037 4.357 4.320 0.000 0.000 0.215 26 A C 2.447 180.030 177.584 -0.001 0.000 1.176 26 A CA 0.707 52.743 52.037 -0.002 0.000 0.632 26 A CB -0.381 18.616 19.000 -0.005 0.000 0.819 26 A HN 0.066 nan 8.150 nan 0.000 0.445 27 V N 1.458 121.371 119.914 -0.001 0.000 2.323 27 V HA -0.245 3.875 4.120 0.000 0.000 0.244 27 V C 2.499 178.595 176.094 0.002 0.000 1.041 27 V CA 2.181 64.482 62.300 0.000 0.000 1.025 27 V CB -0.731 31.093 31.823 0.001 0.000 0.656 27 V HN 0.824 nan 8.190 nan 0.000 0.451 28 K N 1.692 122.094 120.400 0.003 0.000 2.281 28 K HA -0.124 4.197 4.320 0.000 0.000 0.203 28 K C 1.729 178.333 176.600 0.007 0.000 1.046 28 K CA 1.738 58.028 56.287 0.005 0.000 0.938 28 K CB -0.836 31.668 32.500 0.006 0.000 0.737 28 K HN 0.512 nan 8.250 nan 0.000 0.458 29 V N -0.119 119.799 119.914 0.006 0.000 3.383 29 V HA -0.076 4.044 4.120 0.000 0.000 0.272 29 V C 1.736 177.835 176.094 0.008 0.000 1.181 29 V CA 1.521 63.826 62.300 0.009 0.000 1.171 29 V CB -1.032 30.795 31.823 0.007 0.000 0.800 29 V HN 0.578 nan 8.190 nan 0.000 0.515 30 T N -3.030 111.527 114.554 0.005 0.000 2.985 30 T HA 0.328 4.678 4.350 0.000 0.000 0.254 30 T C 0.474 175.176 174.700 0.003 0.000 1.021 30 T CA -0.127 61.975 62.100 0.003 0.000 0.957 30 T CB -0.003 68.866 68.868 0.001 0.000 1.047 30 T HN 0.365 nan 8.240 nan 0.000 0.511 31 L N 2.866 124.091 121.223 0.003 0.000 2.525 31 L HA 0.482 4.823 4.340 0.000 0.000 0.278 31 L C 0.865 177.733 176.870 -0.003 0.000 1.218 31 L CA 2.015 56.856 54.840 0.001 0.000 0.878 31 L CB -0.483 41.577 42.059 0.002 0.000 1.127 31 L HN 0.762 nan 8.230 nan 0.000 0.492 32 G N 3.601 112.394 108.800 -0.011 0.000 2.712 32 G HA2 -0.173 3.787 3.960 0.000 0.000 0.683 32 G HA3 -0.173 3.787 3.960 0.000 0.000 0.683 32 G C -1.872 173.011 174.900 -0.029 0.000 1.320 32 G CA -0.431 44.655 45.100 -0.024 0.000 0.847 32 G HN 0.541 nan 8.290 nan 0.000 0.553 33 P HA -0.006 nan 4.420 nan 0.000 0.221 33 P C 1.092 178.371 177.300 -0.036 0.000 1.145 33 P CA 1.103 64.170 63.100 -0.055 0.000 0.795 33 P CB 0.110 31.753 31.700 -0.096 0.000 0.775 34 R N -0.811 119.675 120.500 -0.022 0.000 2.734 34 R HA 0.310 4.651 4.340 0.000 0.000 0.395 34 R C 0.612 176.918 176.300 0.011 0.000 1.096 34 R CA -0.361 55.739 56.100 -0.000 0.000 1.071 34 R CB -0.043 30.268 30.300 0.019 0.000 1.348 34 R HN 0.041 nan 8.270 nan 0.000 0.600 35 G N 1.343 110.145 108.800 0.004 0.000 2.568 35 G HA2 -0.030 3.930 3.960 0.000 0.000 0.231 35 G HA3 -0.030 3.930 3.960 0.000 0.000 0.231 35 G C 0.297 175.202 174.900 0.009 0.000 1.261 35 G CA -0.261 44.843 45.100 0.007 0.000 0.855 35 G HN 0.096 nan 8.290 nan 0.000 0.576 36 R N 0.374 120.881 120.500 0.011 0.000 2.541 36 R HA 0.171 4.511 4.340 0.000 0.000 0.263 36 R C 0.240 176.542 176.300 0.003 0.000 1.112 36 R CA -0.614 55.492 56.100 0.010 0.000 1.170 36 R CB 0.334 30.642 30.300 0.012 0.000 1.167 36 R HN 0.677 nan 8.270 nan 0.000 0.582 37 N N -0.623 118.077 118.700 0.001 0.000 2.499 37 N HA 0.235 4.976 4.740 0.000 0.000 0.281 37 N C -0.958 174.549 175.510 -0.005 0.000 1.098 37 N CA -0.358 52.690 53.050 -0.004 0.000 0.979 37 N CB 1.288 39.772 38.487 -0.005 0.000 1.121 37 N HN 0.059 nan 8.380 nan 0.000 0.466 38 V N 2.672 122.582 119.914 -0.007 0.000 2.487 38 V HA 0.286 4.406 4.120 0.000 0.000 0.298 38 V C -0.170 175.918 176.094 -0.011 0.000 1.028 38 V CA -0.799 61.497 62.300 -0.008 0.000 0.860 38 V CB 1.828 33.646 31.823 -0.008 0.000 0.991 38 V HN 0.329 nan 8.190 nan 0.000 0.427 39 V N 6.551 126.459 119.914 -0.010 0.000 2.407 39 V HA 0.469 4.589 4.120 0.000 0.000 0.278 39 V C -0.438 175.649 176.094 -0.012 0.000 1.037 39 V CA -0.394 61.899 62.300 -0.012 0.000 0.900 39 V CB 1.354 33.170 31.823 -0.011 0.000 0.983 39 V HN 0.571 nan 8.190 nan 0.000 0.459 40 L N 5.113 126.328 121.223 -0.013 0.000 2.362 40 L HA 0.522 4.862 4.340 0.000 0.000 0.275 40 L C 0.023 176.886 176.870 -0.011 0.000 0.998 40 L CA -0.317 54.515 54.840 -0.013 0.000 0.820 40 L CB 1.859 43.910 42.059 -0.013 0.000 1.270 40 L HN 0.819 nan 8.230 nan 0.000 0.415 41 E N 3.246 123.438 120.200 -0.013 0.000 2.216 41 E HA 0.487 4.837 4.350 0.000 0.000 0.279 41 E C -1.055 175.541 176.600 -0.007 0.000 0.997 41 E CA -0.962 55.430 56.400 -0.013 0.000 0.817 41 E CB 1.364 31.051 29.700 -0.021 0.000 1.096 41 E HN 0.185 nan 8.360 nan 0.000 0.393 42 K N 3.323 123.726 120.400 0.005 0.000 2.156 42 K HA 0.191 4.512 4.320 0.000 0.000 0.271 42 K C 0.531 177.142 176.600 0.019 0.000 0.995 42 K CA -0.598 55.707 56.287 0.031 0.000 0.890 42 K CB 1.441 33.974 32.500 0.056 0.000 1.073 42 K HN 0.565 nan 8.250 nan 0.000 0.454 43 K N 1.123 121.534 120.400 0.017 0.000 2.059 43 K HA -0.174 4.146 4.320 0.000 0.000 0.212 43 K C 1.398 177.808 176.600 -0.317 0.000 1.050 43 K CA 1.924 58.114 56.287 -0.162 0.000 0.927 43 K CB -0.130 32.242 32.500 -0.212 0.000 0.714 43 K HN 0.354 nan 8.250 nan 0.000 0.447 44 F N 0.052 119.992 119.950 -0.017 0.000 2.387 44 F HA 0.179 4.707 4.527 0.001 0.000 0.278 44 F C 1.820 177.612 175.800 -0.014 0.000 1.010 44 F CA 0.005 57.997 58.000 -0.014 0.000 1.236 44 F CB -1.112 37.880 39.000 -0.014 0.000 1.137 44 F HN -0.053 nan 8.300 nan 0.000 0.604 45 G N 0.473 109.397 108.800 0.206 0.000 2.716 45 G HA2 0.312 4.272 3.960 0.000 0.000 0.251 45 G HA3 0.312 4.272 3.960 0.000 0.000 0.251 45 G C 0.189 175.120 174.900 0.052 0.000 1.224 45 G CA 0.010 45.168 45.100 0.097 0.000 0.891 45 G HN 0.370 nan 8.290 nan 0.000 0.561 46 S N 0.810 116.527 115.700 0.029 0.000 2.626 46 S HA 0.448 4.918 4.470 0.000 0.000 0.257 46 S C -1.879 172.724 174.600 0.006 0.000 1.288 46 S CA -0.844 57.363 58.200 0.012 0.000 0.980 46 S CB 1.030 64.234 63.200 0.006 0.000 0.975 46 S HN 0.630 nan 8.310 nan 0.000 0.577 47 P HA 0.232 nan 4.420 nan 0.000 0.271 47 P C -0.605 176.691 177.300 -0.007 0.000 1.233 47 P CA -0.114 62.983 63.100 -0.006 0.000 0.789 47 P CB 0.217 31.912 31.700 -0.009 0.000 0.951 48 T N 1.119 115.667 114.554 -0.010 0.000 2.908 48 T HA 0.672 5.022 4.350 0.000 0.000 0.290 48 T C 0.067 174.757 174.700 -0.016 0.000 1.034 48 T CA -0.514 61.577 62.100 -0.014 0.000 1.010 48 T CB 0.871 69.729 68.868 -0.016 0.000 1.068 48 T HN 0.443 nan 8.240 nan 0.000 0.481 49 I N -0.650 119.909 120.570 -0.020 0.000 2.545 49 I HA 0.845 5.015 4.170 0.000 0.000 0.292 49 I C -0.660 175.443 176.117 -0.025 0.000 1.040 49 I CA -0.554 60.734 61.300 -0.019 0.000 1.068 49 I CB 2.391 40.381 38.000 -0.017 0.000 1.251 49 I HN 0.495 nan 8.210 nan 0.000 0.424 50 T N 3.605 118.146 114.554 -0.023 0.000 2.742 50 T HA 0.560 4.910 4.350 0.000 0.000 0.282 50 T C 0.017 174.705 174.700 -0.020 0.000 1.025 50 T CA -0.790 61.293 62.100 -0.027 0.000 1.020 50 T CB 2.053 70.904 68.868 -0.028 0.000 1.317 50 T HN 0.735 nan 8.240 nan 0.000 0.538 51 K N -0.074 120.313 120.400 -0.021 0.000 2.617 51 K HA 0.147 4.467 4.320 0.000 0.000 0.184 51 K C -1.044 175.550 176.600 -0.009 0.000 1.295 51 K CA -0.188 56.091 56.287 -0.012 0.000 1.112 51 K CB 0.801 33.294 32.500 -0.012 0.000 1.069 51 K HN 0.501 nan 8.250 nan 0.000 0.570 52 D N 0.138 120.531 120.400 -0.013 0.000 2.349 52 D HA 0.158 4.798 4.640 0.000 0.000 0.232 52 D C 0.904 177.203 176.300 -0.001 0.000 1.071 52 D CA -0.105 53.893 54.000 -0.004 0.000 0.832 52 D CB 1.770 42.561 40.800 -0.015 0.000 1.086 52 D HN 0.216 nan 8.370 nan 0.000 0.504 53 G N 2.828 111.631 108.800 0.006 0.000 2.459 53 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 53 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 53 G C 1.580 176.483 174.900 0.005 0.000 1.183 53 G CA 1.084 46.187 45.100 0.005 0.000 0.776 53 G HN 0.494 nan 8.290 nan 0.000 0.552 54 V N 0.899 120.820 119.914 0.012 0.000 2.392 54 V HA -0.199 3.921 4.120 0.000 0.000 0.249 54 V C 3.045 179.143 176.094 0.006 0.000 1.059 54 V CA 2.318 64.626 62.300 0.013 0.000 1.051 54 V CB -1.273 30.565 31.823 0.025 0.000 0.658 54 V HN 0.372 nan 8.190 nan 0.000 0.455 55 T N 0.424 114.978 114.554 0.000 0.000 2.708 55 T HA -0.154 4.196 4.350 0.000 0.000 0.266 55 T C 1.985 176.679 174.700 -0.010 0.000 1.037 55 T CA 1.801 63.895 62.100 -0.010 0.000 1.146 55 T CB -0.266 68.587 68.868 -0.026 0.000 0.865 55 T HN 0.324 nan 8.240 nan 0.000 0.435 56 V N 1.798 121.706 119.914 -0.009 0.000 2.307 56 V HA -0.140 3.981 4.120 0.000 0.000 0.245 56 V C 2.926 179.017 176.094 -0.006 0.000 1.045 56 V CA 1.579 63.874 62.300 -0.008 0.000 1.024 56 V CB -1.339 30.480 31.823 -0.007 0.000 0.651 56 V HN 0.521 nan 8.190 nan 0.000 0.449 57 A N -0.095 122.723 122.820 -0.003 0.000 1.917 57 A HA -0.315 4.006 4.320 0.000 0.000 0.219 57 A C 2.297 179.879 177.584 -0.003 0.000 1.182 57 A CA 2.363 54.398 52.037 -0.002 0.000 0.633 57 A CB -0.551 18.449 19.000 0.001 0.000 0.819 57 A HN 0.555 nan 8.150 nan 0.000 0.448 58 K N -0.637 119.762 120.400 -0.002 0.000 2.063 58 K HA -0.142 4.178 4.320 0.000 0.000 0.208 58 K C 1.509 178.105 176.600 -0.008 0.000 1.048 58 K CA 1.382 57.667 56.287 -0.003 0.000 0.928 58 K CB -0.119 32.380 32.500 -0.002 0.000 0.713 58 K HN 0.394 nan 8.250 nan 0.000 0.442 59 E N 0.559 120.754 120.200 -0.009 0.000 2.511 59 E HA -0.017 4.333 4.350 0.000 0.000 0.196 59 E C -0.163 176.429 176.600 -0.014 0.000 1.066 59 E CA 0.256 56.649 56.400 -0.012 0.000 0.871 59 E CB 0.171 29.864 29.700 -0.012 0.000 0.863 59 E HN -0.019 nan 8.360 nan 0.000 0.520 60 V N 2.000 121.906 119.914 -0.012 0.000 2.368 60 V HA 0.167 4.287 4.120 0.000 0.000 0.266 60 V C 0.095 176.179 176.094 -0.018 0.000 1.045 60 V CA -0.143 62.149 62.300 -0.014 0.000 0.899 60 V CB 0.793 32.609 31.823 -0.011 0.000 1.006 60 V HN 0.025 nan 8.190 nan 0.000 0.470 61 E N 5.092 125.278 120.200 -0.023 0.000 2.274 61 E HA 0.513 4.864 4.350 0.000 0.000 0.269 61 E C -1.382 175.194 176.600 -0.040 0.000 0.891 61 E CA -0.664 55.717 56.400 -0.032 0.000 0.784 61 E CB 1.502 31.182 29.700 -0.033 0.000 1.225 61 E HN 0.596 nan 8.360 nan 0.000 0.412 62 L N 3.631 124.826 121.223 -0.046 0.000 2.379 62 L HA 0.355 4.695 4.340 0.000 0.000 0.269 62 L C 1.427 178.250 176.870 -0.079 0.000 1.084 62 L CA -0.529 54.280 54.840 -0.051 0.000 0.802 62 L CB 1.023 43.058 42.059 -0.039 0.000 1.175 62 L HN 0.705 nan 8.230 nan 0.000 0.448 63 E N 0.204 120.362 120.200 -0.070 0.000 2.047 63 E HA -0.155 4.195 4.350 0.000 0.000 0.191 63 E C 0.346 176.876 176.600 -0.117 0.000 0.987 63 E CA 0.821 57.168 56.400 -0.088 0.000 0.799 63 E CB 0.096 29.764 29.700 -0.054 0.000 0.752 63 E HN 0.598 nan 8.360 nan 0.000 0.449 64 D N 0.118 120.477 120.400 -0.069 0.000 2.401 64 D HA -0.073 4.567 4.640 0.000 0.000 0.254 64 D C 0.888 177.159 176.300 -0.048 0.000 1.192 64 D CA 0.189 54.166 54.000 -0.037 0.000 0.885 64 D CB 0.642 41.440 40.800 -0.003 0.000 1.147 64 D HN 0.178 nan 8.370 nan 0.000 0.478 65 H N 3.857 122.922 119.070 -0.008 0.000 2.265 65 H HA -0.165 4.391 4.556 -0.000 0.000 0.295 65 H C 1.980 177.300 175.328 -0.014 0.000 1.084 65 H CA 1.305 57.346 56.048 -0.011 0.000 1.261 65 H CB 0.200 29.955 29.762 -0.012 0.000 1.360 65 H HN 0.503 nan 8.280 nan 0.000 0.487 66 L N 0.642 121.936 121.223 0.118 0.000 1.989 66 L HA -0.196 4.144 4.340 0.000 0.000 0.211 66 L C 2.577 179.463 176.870 0.026 0.000 1.071 66 L CA 1.417 56.287 54.840 0.051 0.000 0.749 66 L CB -0.458 41.618 42.059 0.028 0.000 0.890 66 L HN 0.329 nan 8.230 nan 0.000 0.431 67 E N -0.092 120.118 120.200 0.017 0.000 2.077 67 E HA -0.251 4.099 4.350 0.000 0.000 0.193 67 E C 1.856 178.455 176.600 -0.003 0.000 0.989 67 E CA 1.446 57.848 56.400 0.003 0.000 0.800 67 E CB -0.245 29.454 29.700 -0.002 0.000 0.746 67 E HN 0.429 nan 8.360 nan 0.000 0.452 68 N N 1.203 119.897 118.700 -0.010 0.000 2.120 68 N HA -0.136 4.604 4.740 0.000 0.000 0.188 68 N C 1.764 177.273 175.510 -0.001 0.000 1.024 68 N CA 0.921 53.960 53.050 -0.019 0.000 0.852 68 N CB -0.098 38.357 38.487 -0.052 0.000 1.003 68 N HN 0.080 nan 8.380 nan 0.000 0.424 69 I N -0.204 120.375 120.570 0.016 0.000 2.236 69 I HA -0.268 3.902 4.170 0.000 0.000 0.249 69 I C 2.265 178.386 176.117 0.007 0.000 1.102 69 I CA 1.486 62.797 61.300 0.018 0.000 1.365 69 I CB -0.790 37.223 38.000 0.022 0.000 1.051 69 I HN 0.314 nan 8.210 nan 0.000 0.420 70 G N 0.253 109.055 108.800 0.003 0.000 2.404 70 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 70 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 70 G C 1.889 176.788 174.900 -0.001 0.000 1.174 70 G CA 0.771 45.871 45.100 0.000 0.000 0.780 70 G HN 0.491 nan 8.290 nan 0.000 0.537 71 A N 0.349 123.168 122.820 -0.002 0.000 1.873 71 A HA -0.163 4.157 4.320 0.000 0.000 0.218 71 A C 2.422 180.005 177.584 -0.002 0.000 1.193 71 A CA 2.233 54.268 52.037 -0.004 0.000 0.629 71 A CB -0.515 18.479 19.000 -0.009 0.000 0.826 71 A HN 0.318 nan 8.150 nan 0.000 0.447 72 Q N -0.947 118.853 119.800 -0.001 0.000 2.084 72 Q HA -0.141 4.200 4.340 0.000 0.000 0.202 72 Q C 2.086 178.088 176.000 0.002 0.000 0.978 72 Q CA 1.306 57.110 55.803 0.001 0.000 0.844 72 Q CB -0.834 27.907 28.738 0.005 0.000 0.898 72 Q HN 0.551 nan 8.270 nan 0.000 0.426 73 L N 0.450 121.674 121.223 0.002 0.000 2.079 73 L HA -0.164 4.176 4.340 0.000 0.000 0.210 73 L C 2.167 179.037 176.870 0.001 0.000 1.081 73 L CA 1.164 56.005 54.840 0.002 0.000 0.752 73 L CB -0.665 41.394 42.059 0.001 0.000 0.896 73 L HN 0.229 nan 8.230 nan 0.000 0.433 74 L N -0.851 120.372 121.223 0.001 0.000 2.023 74 L HA -0.169 4.171 4.340 0.000 0.000 0.205 74 L C 2.439 179.310 176.870 0.001 0.000 1.073 74 L CA 1.692 56.533 54.840 0.000 0.000 0.745 74 L CB -0.650 41.409 42.059 0.000 0.000 0.900 74 L HN 0.128 nan 8.230 nan 0.000 0.435 75 K N -0.380 120.021 120.400 0.001 0.000 2.044 75 K HA -0.212 4.108 4.320 0.000 0.000 0.210 75 K C 2.012 178.613 176.600 0.002 0.000 1.049 75 K CA 1.734 58.022 56.287 0.001 0.000 0.927 75 K CB -0.313 32.187 32.500 0.001 0.000 0.713 75 K HN 0.406 nan 8.250 nan 0.000 0.443 76 E N 0.587 120.788 120.200 0.002 0.000 2.013 76 E HA -0.182 4.168 4.350 0.000 0.000 0.202 76 E C 2.212 178.812 176.600 0.001 0.000 1.018 76 E CA 1.314 57.716 56.400 0.002 0.000 0.834 76 E CB -0.563 29.139 29.700 0.003 0.000 0.770 76 E HN 0.051 nan 8.360 nan 0.000 0.459 77 V N 1.752 121.666 119.914 0.001 0.000 2.469 77 V HA -0.276 3.844 4.120 0.000 0.000 0.251 77 V C 2.415 178.509 176.094 0.000 0.000 1.064 77 V CA 1.821 64.121 62.300 0.000 0.000 1.066 77 V CB -0.974 30.849 31.823 0.000 0.000 0.667 77 V HN 0.279 nan 8.190 nan 0.000 0.461 78 A N 0.878 123.698 122.820 0.001 0.000 1.873 78 A HA -0.192 4.129 4.320 0.000 0.000 0.215 78 A C 2.577 180.161 177.584 0.000 0.000 1.186 78 A CA 2.156 54.193 52.037 0.001 0.000 0.616 78 A CB -0.799 18.202 19.000 0.001 0.000 0.823 78 A HN 0.682 nan 8.150 nan 0.000 0.442 79 S N 1.097 116.797 115.700 0.000 0.000 2.402 79 S HA -0.201 4.269 4.470 0.000 0.000 0.229 79 S C 1.588 176.187 174.600 -0.003 0.000 1.021 79 S CA 1.332 59.532 58.200 -0.000 0.000 0.974 79 S CB -0.647 62.553 63.200 0.000 0.000 0.800 79 S HN 0.728 nan 8.310 nan 0.000 0.484 80 K N 1.028 121.426 120.400 -0.003 0.000 2.773 80 K HA 0.103 4.423 4.320 0.000 0.000 0.222 80 K C 0.591 177.188 176.600 -0.004 0.000 0.985 80 K CA 0.928 57.213 56.287 -0.004 0.000 1.126 80 K CB -0.504 31.994 32.500 -0.003 0.000 0.919 80 K HN 0.318 nan 8.250 nan 0.000 0.487 81 T N -0.343 114.209 114.554 -0.004 0.000 3.056 81 T HA -0.019 4.332 4.350 0.000 0.000 0.243 81 T C 1.406 176.102 174.700 -0.006 0.000 0.995 81 T CA -0.098 62.000 62.100 -0.004 0.000 1.091 81 T CB -0.099 68.768 68.868 -0.002 0.000 0.990 81 T HN 0.319 nan 8.240 nan 0.000 0.464 82 N N 1.676 120.373 118.700 -0.005 0.000 2.244 82 N HA -0.111 4.629 4.740 0.000 0.000 0.183 82 N C 0.802 176.305 175.510 -0.012 0.000 1.016 82 N CA 1.024 54.070 53.050 -0.007 0.000 0.866 82 N CB -0.113 38.372 38.487 -0.003 0.000 0.980 82 N HN 0.217 nan 8.380 nan 0.000 0.430 83 D N -0.576 119.817 120.400 -0.012 0.000 2.310 83 D HA -0.025 4.615 4.640 0.000 0.000 0.212 83 D C 1.296 177.587 176.300 -0.015 0.000 0.965 83 D CA 0.561 54.552 54.000 -0.016 0.000 0.879 83 D CB 0.385 41.176 40.800 -0.015 0.000 0.921 83 D HN 0.145 nan 8.370 nan 0.000 0.510 84 V N -1.102 118.806 119.914 -0.011 0.000 3.432 84 V HA 0.478 4.598 4.120 0.000 0.000 0.298 84 V C 1.029 177.117 176.094 -0.010 0.000 1.464 84 V CA 0.495 62.790 62.300 -0.009 0.000 1.046 84 V CB 0.875 32.695 31.823 -0.004 0.000 0.887 84 V HN 0.164 nan 8.190 nan 0.000 0.441 85 A N -0.603 122.210 122.820 -0.012 0.000 2.736 85 A HA 0.542 4.862 4.320 0.000 0.000 0.222 85 A C 1.527 179.101 177.584 -0.017 0.000 1.267 85 A CA 0.655 52.684 52.037 -0.013 0.000 1.026 85 A CB 0.210 19.205 19.000 -0.009 0.000 1.281 85 A HN 1.269 nan 8.150 nan 0.000 0.577 86 G N -0.190 108.599 108.800 -0.018 0.000 2.225 86 G HA2 -0.087 3.873 3.960 0.000 0.000 0.267 86 G HA3 -0.087 3.873 3.960 0.000 0.000 0.267 86 G C -0.193 174.694 174.900 -0.022 0.000 1.024 86 G CA 1.241 46.327 45.100 -0.023 0.000 0.784 86 G HN 1.126 nan 8.290 nan 0.000 0.507 87 D N -3.412 116.980 120.400 -0.014 0.000 2.913 87 D HA 0.540 5.180 4.640 0.000 0.000 0.293 87 D C 0.807 177.104 176.300 -0.006 0.000 1.238 87 D CA 1.361 55.355 54.000 -0.010 0.000 0.738 87 D CB -0.282 40.509 40.800 -0.014 0.000 1.254 87 D HN 1.461 nan 8.370 nan 0.000 0.429 88 G N -0.015 108.783 108.800 -0.003 0.000 2.147 88 G HA2 -0.286 3.674 3.960 0.000 0.000 0.244 88 G HA3 -0.286 3.674 3.960 0.000 0.000 0.244 88 G C 0.987 175.886 174.900 -0.000 0.000 1.005 88 G CA 1.204 46.302 45.100 -0.002 0.000 0.713 88 G HN 0.630 nan 8.290 nan 0.000 0.515 89 T N -0.746 113.809 114.554 0.001 0.000 2.857 89 T HA -0.010 4.340 4.350 0.000 0.000 0.266 89 T C 2.572 177.274 174.700 0.003 0.000 1.048 89 T CA 2.633 64.735 62.100 0.002 0.000 1.139 89 T CB -0.206 68.664 68.868 0.004 0.000 0.874 89 T HN 0.365 nan 8.240 nan 0.000 0.455 90 T N 1.005 115.561 114.554 0.004 0.000 2.777 90 T HA -0.062 4.288 4.350 0.000 0.000 0.266 90 T C 2.104 176.805 174.700 0.002 0.000 1.040 90 T CA 1.731 63.833 62.100 0.003 0.000 1.141 90 T CB -0.701 68.169 68.868 0.004 0.000 0.868 90 T HN 0.371 nan 8.240 nan 0.000 0.444 91 T N 1.815 116.369 114.554 0.001 0.000 2.720 91 T HA -0.055 4.295 4.350 0.000 0.000 0.268 91 T C 2.292 176.993 174.700 0.002 0.000 1.037 91 T CA 1.199 63.299 62.100 0.001 0.000 1.144 91 T CB -0.461 68.407 68.868 -0.001 0.000 0.864 91 T HN 0.418 nan 8.240 nan 0.000 0.444 92 A N 0.920 123.741 122.820 0.001 0.000 1.933 92 A HA -0.110 4.210 4.320 0.000 0.000 0.218 92 A C 2.524 180.110 177.584 0.002 0.000 1.175 92 A CA 2.064 54.102 52.037 0.002 0.000 0.628 92 A CB -1.098 17.903 19.000 0.001 0.000 0.814 92 A HN 0.489 nan 8.150 nan 0.000 0.444 93 T N -0.358 114.197 114.554 0.002 0.000 2.674 93 T HA -0.126 4.224 4.350 0.000 0.000 0.265 93 T C 1.895 176.597 174.700 0.003 0.000 1.039 93 T CA 1.552 63.654 62.100 0.002 0.000 1.150 93 T CB -0.535 68.334 68.868 0.002 0.000 0.864 93 T HN 0.141 nan 8.240 nan 0.000 0.427 94 V N 1.775 121.690 119.914 0.003 0.000 2.231 94 V HA -0.187 3.933 4.120 0.000 0.000 0.248 94 V C 2.568 178.664 176.094 0.004 0.000 1.054 94 V CA 1.739 64.041 62.300 0.004 0.000 1.015 94 V CB -0.805 31.021 31.823 0.004 0.000 0.638 94 V HN 0.439 nan 8.190 nan 0.000 0.444 95 L N -0.061 121.164 121.223 0.004 0.000 2.043 95 L HA -0.257 4.083 4.340 0.000 0.000 0.212 95 L C 2.717 179.590 176.870 0.004 0.000 1.075 95 L CA 1.829 56.672 54.840 0.004 0.000 0.752 95 L CB -0.939 41.122 42.059 0.004 0.000 0.891 95 L HN 0.409 nan 8.230 nan 0.000 0.432 96 A N -0.612 122.210 122.820 0.004 0.000 1.877 96 A HA -0.296 4.024 4.320 0.000 0.000 0.216 96 A C 2.278 179.864 177.584 0.004 0.000 1.186 96 A CA 1.940 53.979 52.037 0.003 0.000 0.620 96 A CB -0.652 18.350 19.000 0.003 0.000 0.822 96 A HN 0.504 nan 8.150 nan 0.000 0.443 97 Q N -0.536 119.266 119.800 0.003 0.000 2.014 97 Q HA -0.223 4.117 4.340 0.000 0.000 0.207 97 Q C 2.276 178.278 176.000 0.004 0.000 0.993 97 Q CA 2.093 57.898 55.803 0.004 0.000 0.850 97 Q CB -0.407 28.334 28.738 0.004 0.000 0.916 97 Q HN 0.613 nan 8.270 nan 0.000 0.417 98 A N 0.998 123.821 122.820 0.005 0.000 1.859 98 A HA -0.235 4.085 4.320 0.000 0.000 0.217 98 A C 2.040 179.627 177.584 0.005 0.000 1.198 98 A CA 1.867 53.907 52.037 0.005 0.000 0.629 98 A CB -1.037 17.966 19.000 0.006 0.000 0.830 98 A HN 0.540 nan 8.150 nan 0.000 0.446 99 I N -0.267 120.306 120.570 0.005 0.000 2.194 99 I HA -0.267 3.903 4.170 0.000 0.000 0.246 99 I C 2.348 178.468 176.117 0.005 0.000 1.093 99 I CA 1.485 62.788 61.300 0.005 0.000 1.355 99 I CB -0.542 37.461 38.000 0.005 0.000 1.046 99 I HN 0.181 nan 8.210 nan 0.000 0.413 100 V N 0.590 120.506 119.914 0.005 0.000 2.343 100 V HA -0.270 3.850 4.120 0.000 0.000 0.247 100 V C 2.613 178.711 176.094 0.005 0.000 1.051 100 V CA 1.801 64.104 62.300 0.005 0.000 1.036 100 V CB -0.764 31.062 31.823 0.004 0.000 0.654 100 V HN 0.383 nan 8.190 nan 0.000 0.451 101 R N 0.081 120.585 120.500 0.005 0.000 2.109 101 R HA -0.183 4.157 4.340 0.000 0.000 0.227 101 R C 2.472 178.776 176.300 0.006 0.000 1.132 101 R CA 1.981 58.084 56.100 0.006 0.000 0.907 101 R CB -0.337 29.966 30.300 0.005 0.000 0.825 101 R HN 0.441 nan 8.270 nan 0.000 0.432 102 E N -0.379 119.824 120.200 0.006 0.000 2.130 102 E HA -0.175 4.175 4.350 0.000 0.000 0.196 102 E C 1.872 178.476 176.600 0.007 0.000 0.998 102 E CA 1.452 57.856 56.400 0.006 0.000 0.806 102 E CB -0.679 29.024 29.700 0.006 0.000 0.738 102 E HN 0.633 nan 8.360 nan 0.000 0.459 103 G N 1.393 110.197 108.800 0.007 0.000 2.480 103 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 103 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 103 G C 1.728 176.633 174.900 0.008 0.000 1.200 103 G CA 0.786 45.890 45.100 0.007 0.000 0.782 103 G HN 0.217 nan 8.290 nan 0.000 0.554 104 L N 0.271 121.498 121.223 0.008 0.000 2.131 104 L HA -0.048 4.292 4.340 0.000 0.000 0.210 104 L C 2.800 179.676 176.870 0.009 0.000 1.092 104 L CA 1.395 56.240 54.840 0.009 0.000 0.759 104 L CB -0.357 41.707 42.059 0.009 0.000 0.903 104 L HN 0.290 nan 8.230 nan 0.000 0.435 105 K N 0.532 120.937 120.400 0.008 0.000 1.985 105 K HA -0.182 4.138 4.320 0.000 0.000 0.210 105 K C 1.921 178.525 176.600 0.007 0.000 1.047 105 K CA 1.535 57.826 56.287 0.007 0.000 0.932 105 K CB -0.041 32.463 32.500 0.007 0.000 0.716 105 K HN 0.277 nan 8.250 nan 0.000 0.439 106 N N 0.481 119.186 118.700 0.007 0.000 2.223 106 N HA -0.140 4.600 4.740 0.000 0.000 0.185 106 N C 1.776 177.291 175.510 0.008 0.000 1.016 106 N CA 1.201 54.256 53.050 0.007 0.000 0.863 106 N CB -0.000 38.491 38.487 0.007 0.000 0.983 106 N HN 0.064 nan 8.380 nan 0.000 0.429 107 V N 1.355 121.275 119.914 0.009 0.000 2.548 107 V HA -0.106 4.014 4.120 0.000 0.000 0.249 107 V C 2.240 178.340 176.094 0.010 0.000 1.055 107 V CA 1.537 63.843 62.300 0.010 0.000 1.065 107 V CB -0.567 31.263 31.823 0.011 0.000 0.681 107 V HN 0.262 nan 8.190 nan 0.000 0.462 108 A N -0.475 122.351 122.820 0.010 0.000 2.206 108 A HA 0.312 4.632 4.320 0.000 0.000 0.211 108 A C 2.005 179.594 177.584 0.008 0.000 1.158 108 A CA 1.142 53.185 52.037 0.010 0.000 0.761 108 A CB -0.263 18.744 19.000 0.010 0.000 0.801 108 A HN 0.529 nan 8.150 nan 0.000 0.473 109 A N -1.923 120.902 122.820 0.008 0.000 2.387 109 A HA 0.476 4.796 4.320 0.000 0.000 0.234 109 A C 1.481 179.069 177.584 0.006 0.000 1.253 109 A CA 0.924 52.964 52.037 0.006 0.000 0.894 109 A CB -0.504 18.500 19.000 0.006 0.000 0.963 109 A HN 1.662 nan 8.150 nan 0.000 0.508 110 G N -1.737 107.067 108.800 0.007 0.000 2.163 110 G HA2 0.139 4.099 3.960 0.000 0.000 0.213 110 G HA3 0.139 4.099 3.960 0.000 0.000 0.213 110 G C 0.457 175.361 174.900 0.006 0.000 0.991 110 G CA 0.090 45.194 45.100 0.007 0.000 0.653 110 G HN 1.523 nan 8.290 nan 0.000 0.518 111 A N -0.121 122.703 122.820 0.007 0.000 2.386 111 A HA 0.600 4.920 4.320 0.000 0.000 0.248 111 A C 0.461 178.050 177.584 0.007 0.000 1.082 111 A CA 0.535 52.576 52.037 0.007 0.000 0.789 111 A CB 0.308 19.312 19.000 0.007 0.000 1.025 111 A HN 0.932 nan 8.150 nan 0.000 0.490 112 N N 1.740 120.444 118.700 0.007 0.000 2.430 112 N HA 0.307 5.048 4.740 0.000 0.000 0.265 112 N C -1.981 173.534 175.510 0.008 0.000 1.100 112 N CA -1.821 51.234 53.050 0.008 0.000 0.961 112 N CB 1.034 39.525 38.487 0.007 0.000 1.075 112 N HN 0.171 nan 8.380 nan 0.000 0.478 113 P HA -0.187 nan 4.420 nan 0.000 0.214 113 P C 1.311 178.616 177.300 0.008 0.000 1.163 113 P CA 1.372 64.478 63.100 0.010 0.000 0.889 113 P CB 0.170 31.877 31.700 0.012 0.000 0.790 114 L N -1.196 120.032 121.223 0.008 0.000 2.042 114 L HA -0.223 4.118 4.340 0.000 0.000 0.210 114 L C 2.490 179.363 176.870 0.006 0.000 1.076 114 L CA 1.865 56.709 54.840 0.007 0.000 0.749 114 L CB -1.420 40.643 42.059 0.007 0.000 0.893 114 L HN -0.019 nan 8.230 nan 0.000 0.432 115 A N 0.240 123.064 122.820 0.006 0.000 1.902 115 A HA -0.138 4.182 4.320 0.000 0.000 0.217 115 A C 2.290 179.877 177.584 0.005 0.000 1.181 115 A CA 1.274 53.314 52.037 0.005 0.000 0.623 115 A CB -0.617 18.387 19.000 0.005 0.000 0.818 115 A HN 0.346 nan 8.150 nan 0.000 0.443 116 L N -0.619 120.608 121.223 0.006 0.000 2.012 116 L HA -0.239 4.101 4.340 0.000 0.000 0.210 116 L C 2.630 179.504 176.870 0.005 0.000 1.073 116 L CA 2.082 56.925 54.840 0.006 0.000 0.748 116 L CB -0.483 41.580 42.059 0.006 0.000 0.891 116 L HN 0.501 nan 8.230 nan 0.000 0.431 117 K N 0.640 121.043 120.400 0.005 0.000 1.978 117 K HA -0.224 4.097 4.320 0.000 0.000 0.214 117 K C 2.232 178.835 176.600 0.004 0.000 1.049 117 K CA 1.687 57.977 56.287 0.005 0.000 0.939 117 K CB -0.102 32.401 32.500 0.005 0.000 0.721 117 K HN 0.111 nan 8.250 nan 0.000 0.441 118 R N -0.421 120.081 120.500 0.004 0.000 2.153 118 R HA -0.183 4.157 4.340 0.000 0.000 0.252 118 R C 2.445 178.748 176.300 0.004 0.000 1.158 118 R CA 1.585 57.687 56.100 0.004 0.000 0.975 118 R CB -0.700 29.603 30.300 0.004 0.000 0.871 118 R HN 0.484 nan 8.270 nan 0.000 0.450 119 G N 0.794 109.596 108.800 0.004 0.000 2.396 119 G HA2 -0.139 3.821 3.960 0.000 0.000 0.214 119 G HA3 -0.139 3.821 3.960 0.000 0.000 0.214 119 G C 1.455 176.358 174.900 0.005 0.000 1.166 119 G CA 0.315 45.418 45.100 0.005 0.000 0.793 119 G HN 0.158 nan 8.290 nan 0.000 0.533 120 I N 0.818 121.391 120.570 0.005 0.000 2.286 120 I HA -0.162 4.008 4.170 0.000 0.000 0.248 120 I C 2.716 178.836 176.117 0.004 0.000 1.115 120 I CA 1.171 62.474 61.300 0.005 0.000 1.392 120 I CB -0.236 37.766 38.000 0.005 0.000 1.065 120 I HN 0.295 nan 8.210 nan 0.000 0.418 121 E N 1.228 121.430 120.200 0.004 0.000 2.015 121 E HA -0.206 4.144 4.350 0.000 0.000 0.191 121 E C 2.141 178.743 176.600 0.004 0.000 0.991 121 E CA 1.050 57.452 56.400 0.003 0.000 0.802 121 E CB -0.149 29.553 29.700 0.003 0.000 0.759 121 E HN 0.446 nan 8.360 nan 0.000 0.447 122 K N 0.829 121.231 120.400 0.004 0.000 2.113 122 K HA -0.166 4.154 4.320 0.000 0.000 0.208 122 K C 2.225 178.828 176.600 0.005 0.000 1.047 122 K CA 1.128 57.417 56.287 0.004 0.000 0.928 122 K CB -0.212 32.290 32.500 0.004 0.000 0.716 122 K HN 0.074 nan 8.250 nan 0.000 0.446 123 A N 1.224 124.047 122.820 0.005 0.000 1.858 123 A HA -0.129 4.191 4.320 0.000 0.000 0.216 123 A C 2.449 180.036 177.584 0.006 0.000 1.190 123 A CA 1.479 53.519 52.037 0.006 0.000 0.617 123 A CB -0.793 18.210 19.000 0.006 0.000 0.827 123 A HN 0.062 nan 8.150 nan 0.000 0.443 124 V N 0.225 120.143 119.914 0.005 0.000 2.255 124 V HA -0.331 3.789 4.120 0.000 0.000 0.247 124 V C 2.437 178.534 176.094 0.005 0.000 1.051 124 V CA 2.468 64.771 62.300 0.005 0.000 1.018 124 V CB -0.988 30.837 31.823 0.004 0.000 0.641 124 V HN 0.650 nan 8.190 nan 0.000 0.445 125 E N 0.121 120.324 120.200 0.005 0.000 2.055 125 E HA -0.336 4.015 4.350 0.000 0.000 0.209 125 E C 2.331 178.934 176.600 0.006 0.000 1.036 125 E CA 1.691 58.093 56.400 0.005 0.000 0.849 125 E CB -0.473 29.229 29.700 0.004 0.000 0.767 125 E HN 0.594 nan 8.360 nan 0.000 0.461 126 A N 1.274 124.098 122.820 0.006 0.000 1.927 126 A HA -0.253 4.067 4.320 0.000 0.000 0.220 126 A C 2.362 179.951 177.584 0.008 0.000 1.185 126 A CA 2.238 54.279 52.037 0.007 0.000 0.639 126 A CB -0.820 18.184 19.000 0.007 0.000 0.820 126 A HN 0.354 nan 8.150 nan 0.000 0.451 127 A N -0.684 122.141 122.820 0.008 0.000 1.858 127 A HA -0.008 4.312 4.320 0.000 0.000 0.216 127 A C 2.249 179.838 177.584 0.008 0.000 1.190 127 A CA 1.866 53.908 52.037 0.009 0.000 0.617 127 A CB -1.128 17.877 19.000 0.008 0.000 0.827 127 A HN 0.464 nan 8.150 nan 0.000 0.443 128 V N 0.207 120.126 119.914 0.007 0.000 2.282 128 V HA -0.323 3.797 4.120 0.000 0.000 0.249 128 V C 2.544 178.642 176.094 0.007 0.000 1.057 128 V CA 2.482 64.786 62.300 0.006 0.000 1.032 128 V CB -0.870 30.956 31.823 0.005 0.000 0.645 128 V HN 0.791 nan 8.190 nan 0.000 0.447 129 E N 0.060 120.264 120.200 0.007 0.000 2.171 129 E HA -0.324 4.026 4.350 0.000 0.000 0.197 129 E C 2.116 178.721 176.600 0.008 0.000 0.997 129 E CA 1.666 58.070 56.400 0.007 0.000 0.810 129 E CB -0.023 29.681 29.700 0.007 0.000 0.738 129 E HN 0.507 nan 8.360 nan 0.000 0.467 130 K N 0.611 121.017 120.400 0.010 0.000 2.116 130 K HA -0.026 4.294 4.320 0.000 0.000 0.203 130 K C 1.818 178.426 176.600 0.012 0.000 1.052 130 K CA 1.037 57.331 56.287 0.011 0.000 0.952 130 K CB -0.194 32.314 32.500 0.013 0.000 0.729 130 K HN 0.174 nan 8.250 nan 0.000 0.446 131 I N 0.861 121.437 120.570 0.010 0.000 2.163 131 I HA -0.340 3.830 4.170 0.000 0.000 0.243 131 I C 2.095 178.217 176.117 0.009 0.000 1.085 131 I CA 1.490 62.796 61.300 0.010 0.000 1.347 131 I CB -0.303 37.701 38.000 0.008 0.000 1.044 131 I HN 0.161 nan 8.210 nan 0.000 0.408 132 K N 1.207 121.612 120.400 0.008 0.000 1.978 132 K HA -0.139 4.181 4.320 0.000 0.000 0.214 132 K C 2.166 178.771 176.600 0.008 0.000 1.049 132 K CA 1.660 57.952 56.287 0.007 0.000 0.939 132 K CB -0.453 32.051 32.500 0.007 0.000 0.721 132 K HN 0.284 nan 8.250 nan 0.000 0.441 133 A N 0.834 123.660 122.820 0.009 0.000 2.234 133 A HA -0.119 4.201 4.320 0.000 0.000 0.216 133 A C 1.749 179.340 177.584 0.011 0.000 1.167 133 A CA 1.075 53.118 52.037 0.010 0.000 0.698 133 A CB -0.222 18.784 19.000 0.010 0.000 0.779 133 A HN 0.224 nan 8.150 nan 0.000 0.475 134 L N -2.006 119.224 121.223 0.012 0.000 2.766 134 L HA 0.491 4.832 4.340 0.000 0.000 0.242 134 L C 1.062 177.939 176.870 0.012 0.000 1.136 134 L CA 0.561 55.410 54.840 0.014 0.000 0.933 134 L CB -0.094 41.975 42.059 0.017 0.000 1.241 134 L HN 0.246 nan 8.230 nan 0.000 0.522 135 A N 0.190 123.016 122.820 0.010 0.000 2.354 135 A HA 0.540 4.860 4.320 0.000 0.000 0.269 135 A C -0.209 177.380 177.584 0.007 0.000 1.109 135 A CA -0.271 51.770 52.037 0.008 0.000 0.800 135 A CB 0.001 19.004 19.000 0.006 0.000 1.045 135 A HN 0.196 nan 8.150 nan 0.000 0.489 136 I N 3.297 123.871 120.570 0.006 0.000 2.315 136 I HA 0.256 4.426 4.170 0.000 0.000 0.291 136 I C -2.255 173.864 176.117 0.004 0.000 1.006 136 I CA -1.983 59.321 61.300 0.005 0.000 1.265 136 I CB 1.688 39.691 38.000 0.005 0.000 1.387 136 I HN 0.398 nan 8.210 nan 0.000 0.475 137 P HA 0.094 nan 4.420 nan 0.000 0.271 137 P C -0.738 176.563 177.300 0.002 0.000 1.216 137 P CA -0.126 62.976 63.100 0.003 0.000 0.776 137 P CB 0.827 32.529 31.700 0.004 0.000 0.881 138 V N 4.198 124.112 119.914 0.001 0.000 2.289 138 V HA 0.207 4.327 4.120 0.000 0.000 0.272 138 V C 0.609 176.703 176.094 -0.000 0.000 1.026 138 V CA 0.163 62.462 62.300 -0.001 0.000 0.807 138 V CB 0.488 32.310 31.823 -0.003 0.000 1.044 138 V HN 0.620 nan 8.190 nan 0.000 0.443 139 E N 0.767 120.967 120.200 0.000 0.000 2.603 139 E HA 0.133 4.483 4.350 0.000 0.000 0.218 139 E C -0.110 176.491 176.600 0.001 0.000 0.878 139 E CA -0.413 55.987 56.400 0.001 0.000 1.348 139 E CB 0.820 30.522 29.700 0.002 0.000 1.318 139 E HN 0.609 nan 8.360 nan 0.000 0.673 140 D N 1.297 121.698 120.400 0.001 0.000 2.372 140 D HA -0.005 4.635 4.640 0.000 0.000 0.243 140 D C 1.167 177.467 176.300 0.000 0.000 1.297 140 D CA 0.221 54.222 54.000 0.001 0.000 0.958 140 D CB 0.993 41.793 40.800 0.000 0.000 1.114 140 D HN -0.068 nan 8.370 nan 0.000 0.496 141 R N 0.887 121.387 120.500 0.000 0.000 2.055 141 R HA -0.054 4.286 4.340 0.000 0.000 0.226 141 R C 1.766 178.065 176.300 -0.002 0.000 1.135 141 R CA 1.535 57.634 56.100 -0.000 0.000 0.959 141 R CB -0.229 30.071 30.300 -0.000 0.000 0.854 141 R HN 0.261 nan 8.270 nan 0.000 0.431 142 K N 0.355 120.754 120.400 -0.002 0.000 2.032 142 K HA -0.075 4.245 4.320 0.000 0.000 0.209 142 K C 2.096 178.694 176.600 -0.004 0.000 1.048 142 K CA 1.461 57.746 56.287 -0.003 0.000 0.927 142 K CB -0.350 32.149 32.500 -0.002 0.000 0.712 142 K HN 0.283 nan 8.250 nan 0.000 0.441 143 A N 2.135 124.953 122.820 -0.003 0.000 1.848 143 A HA -0.237 4.083 4.320 0.000 0.000 0.217 143 A C 2.163 179.745 177.584 -0.005 0.000 1.220 143 A CA 1.874 53.909 52.037 -0.003 0.000 0.645 143 A CB -1.008 17.991 19.000 -0.002 0.000 0.842 143 A HN 0.228 nan 8.150 nan 0.000 0.451 144 I N -0.656 119.911 120.570 -0.005 0.000 2.236 144 I HA -0.326 3.845 4.170 0.000 0.000 0.249 144 I C 2.635 178.745 176.117 -0.011 0.000 1.102 144 I CA 2.069 63.364 61.300 -0.007 0.000 1.365 144 I CB -0.489 37.508 38.000 -0.006 0.000 1.051 144 I HN 0.603 nan 8.210 nan 0.000 0.420 145 E N 1.089 121.283 120.200 -0.010 0.000 2.028 145 E HA -0.223 4.127 4.350 0.000 0.000 0.191 145 E C 2.072 178.663 176.600 -0.014 0.000 0.988 145 E CA 1.224 57.615 56.400 -0.014 0.000 0.799 145 E CB 0.060 29.753 29.700 -0.012 0.000 0.755 145 E HN 0.490 nan 8.360 nan 0.000 0.447 146 E N 0.088 120.282 120.200 -0.010 0.000 2.070 146 E HA -0.211 4.140 4.350 0.000 0.000 0.197 146 E C 2.243 178.838 176.600 -0.008 0.000 1.004 146 E CA 1.507 57.902 56.400 -0.008 0.000 0.805 146 E CB -0.084 29.612 29.700 -0.006 0.000 0.744 146 E HN 0.126 nan 8.360 nan 0.000 0.451 147 V N 1.581 121.490 119.914 -0.009 0.000 2.231 147 V HA -0.352 3.768 4.120 0.000 0.000 0.248 147 V C 2.400 178.489 176.094 -0.009 0.000 1.054 147 V CA 2.174 64.469 62.300 -0.009 0.000 1.015 147 V CB -0.880 30.937 31.823 -0.009 0.000 0.638 147 V HN 0.389 nan 8.190 nan 0.000 0.444 148 A N -0.685 122.128 122.820 -0.013 0.000 1.940 148 A HA -0.251 4.069 4.320 0.000 0.000 0.219 148 A C 2.359 179.937 177.584 -0.010 0.000 1.176 148 A CA 2.574 54.602 52.037 -0.015 0.000 0.631 148 A CB -1.051 17.933 19.000 -0.027 0.000 0.814 148 A HN 0.552 nan 8.150 nan 0.000 0.446 149 T N 0.466 115.012 114.554 -0.013 0.000 2.720 149 T HA -0.144 4.206 4.350 0.000 0.000 0.268 149 T C 1.780 176.484 174.700 0.007 0.000 1.037 149 T CA 1.663 63.758 62.100 -0.008 0.000 1.144 149 T CB -0.438 68.424 68.868 -0.010 0.000 0.864 149 T HN 0.478 nan 8.240 nan 0.000 0.444 150 I N 1.656 122.228 120.570 0.003 0.000 2.162 150 I HA -0.144 4.027 4.170 0.000 0.000 0.238 150 I C 2.673 178.797 176.117 0.013 0.000 1.076 150 I CA 1.260 62.563 61.300 0.005 0.000 1.353 150 I CB -0.604 37.393 38.000 -0.005 0.000 1.063 150 I HN 0.232 nan 8.210 nan 0.000 0.408 151 S N 1.225 116.931 115.700 0.010 0.000 2.493 151 S HA -0.096 4.375 4.470 0.000 0.000 0.243 151 S C 1.790 176.415 174.600 0.043 0.000 0.991 151 S CA 1.037 59.245 58.200 0.014 0.000 0.957 151 S CB -0.406 62.796 63.200 0.003 0.000 0.756 151 S HN 0.531 nan 8.310 nan 0.000 0.521 152 A N 1.390 124.251 122.820 0.068 0.000 2.108 152 A HA 0.353 4.673 4.320 0.000 0.000 0.206 152 A C 0.903 178.579 177.584 0.155 0.000 1.212 152 A CA 0.253 52.383 52.037 0.156 0.000 0.843 152 A CB -0.352 18.741 19.000 0.155 0.000 0.902 152 A HN 0.560 nan 8.150 nan 0.000 0.477 153 N N 0.070 118.822 118.700 0.086 0.000 2.780 153 N HA -0.163 4.577 4.740 0.000 0.000 0.247 153 N C -1.439 174.128 175.510 0.095 0.000 1.076 153 N CA 0.752 53.843 53.050 0.068 0.000 0.688 153 N CB -0.633 37.887 38.487 0.054 0.000 0.957 153 N HN 0.448 nan 8.380 nan 0.000 0.551 154 D N -0.680 119.768 120.400 0.079 0.000 2.369 154 D HA 0.117 4.757 4.640 0.000 0.000 0.212 154 D C -2.009 174.292 176.300 0.002 0.000 1.326 154 D CA -0.915 53.123 54.000 0.063 0.000 0.933 154 D CB 1.466 42.341 40.800 0.125 0.000 1.516 154 D HN 0.029 nan 8.370 nan 0.000 0.557 155 P HA -0.120 nan 4.420 nan 0.000 0.220 155 P C 0.874 178.153 177.300 -0.036 0.000 1.148 155 P CA 0.979 64.070 63.100 -0.016 0.000 0.803 155 P CB 0.867 32.564 31.700 -0.007 0.000 0.782 156 E N 0.115 120.288 120.200 -0.045 0.000 2.008 156 E HA -0.075 4.276 4.350 0.000 0.000 0.191 156 E C 2.195 178.722 176.600 -0.123 0.000 0.986 156 E CA 0.986 57.346 56.400 -0.067 0.000 0.807 156 E CB -0.692 28.974 29.700 -0.057 0.000 0.766 156 E HN 0.007 nan 8.360 nan 0.000 0.450 157 V N 1.532 121.319 119.914 -0.211 0.000 2.546 157 V HA -0.227 3.894 4.120 0.000 0.000 0.254 157 V C 2.315 178.281 176.094 -0.213 0.000 1.076 157 V CA 1.889 63.974 62.300 -0.359 0.000 1.087 157 V CB -1.204 30.172 31.823 -0.746 0.000 0.674 157 V HN 0.423 nan 8.190 nan 0.000 0.470 158 G N -0.303 108.421 108.800 -0.128 0.000 2.421 158 G HA2 -0.225 3.736 3.960 0.000 0.000 0.216 158 G HA3 -0.225 3.736 3.960 0.000 0.000 0.216 158 G C 1.689 176.550 174.900 -0.065 0.000 1.171 158 G CA 0.656 45.711 45.100 -0.076 0.000 0.775 158 G HN 0.347 nan 8.290 nan 0.000 0.543 159 K N 0.278 120.642 120.400 -0.059 0.000 1.991 159 K HA -0.003 4.317 4.320 0.000 0.000 0.212 159 K C 2.630 179.206 176.600 -0.040 0.000 1.049 159 K CA 0.866 57.130 56.287 -0.039 0.000 0.932 159 K CB -0.893 31.588 32.500 -0.033 0.000 0.717 159 K HN 0.341 nan 8.250 nan 0.000 0.441 160 L N 0.720 121.904 121.223 -0.065 0.000 1.997 160 L HA -0.251 4.090 4.340 0.000 0.000 0.216 160 L C 2.553 179.386 176.870 -0.062 0.000 1.074 160 L CA 1.467 56.269 54.840 -0.062 0.000 0.763 160 L CB -0.630 41.361 42.059 -0.113 0.000 0.890 160 L HN 0.170 nan 8.230 nan 0.000 0.434 161 I N -0.206 120.309 120.570 -0.092 0.000 2.194 161 I HA -0.330 3.840 4.170 0.000 0.000 0.246 161 I C 2.833 178.926 176.117 -0.041 0.000 1.093 161 I CA 1.277 62.531 61.300 -0.076 0.000 1.355 161 I CB -0.553 37.398 38.000 -0.080 0.000 1.046 161 I HN 0.264 nan 8.210 nan 0.000 0.413 162 A N 0.767 123.569 122.820 -0.030 0.000 1.858 162 A HA -0.236 4.084 4.320 0.000 0.000 0.216 162 A C 2.011 179.603 177.584 0.013 0.000 1.190 162 A CA 2.094 54.125 52.037 -0.010 0.000 0.617 162 A CB -0.655 18.339 19.000 -0.010 0.000 0.827 162 A HN 0.368 nan 8.150 nan 0.000 0.443 163 D N 0.230 120.647 120.400 0.028 0.000 2.092 163 D HA -0.119 4.521 4.640 0.000 0.000 0.193 163 D C 2.284 178.666 176.300 0.136 0.000 0.994 163 D CA 1.650 55.697 54.000 0.079 0.000 0.828 163 D CB -0.664 40.194 40.800 0.097 0.000 0.963 163 D HN 0.418 nan 8.370 nan 0.000 0.450 164 A N 1.154 124.022 122.820 0.080 0.000 1.903 164 A HA -0.244 4.076 4.320 0.000 0.000 0.219 164 A C 2.330 179.930 177.584 0.026 0.000 1.191 164 A CA 2.014 54.050 52.037 -0.002 0.000 0.638 164 A CB -0.668 18.251 19.000 -0.135 0.000 0.823 164 A HN 0.191 nan 8.150 nan 0.000 0.451 165 M N -1.275 118.334 119.600 0.014 0.000 2.132 165 M HA -0.116 4.364 4.480 0.000 0.000 0.263 165 M C 2.091 178.417 176.300 0.042 0.000 1.065 165 M CA 1.286 56.595 55.300 0.015 0.000 1.122 165 M CB -0.546 32.053 32.600 -0.001 0.000 1.365 165 M HN 0.388 nan 8.290 nan 0.000 0.411 166 E N 1.109 121.341 120.200 0.052 0.000 2.086 166 E HA -0.227 4.123 4.350 0.000 0.000 0.200 166 E C 1.881 178.522 176.600 0.068 0.000 1.012 166 E CA 1.602 58.032 56.400 0.051 0.000 0.812 166 E CB -0.214 29.514 29.700 0.047 0.000 0.743 166 E HN 0.583 nan 8.360 nan 0.000 0.453 167 K N 0.022 120.500 120.400 0.129 0.000 2.078 167 K HA 0.020 4.340 4.320 0.000 0.000 0.203 167 K C 2.278 178.974 176.600 0.160 0.000 1.043 167 K CA 0.770 57.149 56.287 0.154 0.000 0.960 167 K CB -0.022 32.627 32.500 0.248 0.000 0.761 167 K HN -0.079 nan 8.250 nan 0.000 0.448 168 V N 0.960 120.983 119.914 0.182 0.000 2.626 168 V HA -0.042 4.079 4.120 0.000 0.000 0.252 168 V C 1.066 177.193 176.094 0.055 0.000 1.067 168 V CA 1.080 63.445 62.300 0.108 0.000 1.081 168 V CB -1.205 30.644 31.823 0.043 0.000 0.686 168 V HN 0.651 nan 8.190 nan 0.000 0.468 169 G N -0.057 108.770 108.800 0.044 0.000 2.756 169 G HA2 -0.200 3.760 3.960 0.000 0.000 0.678 169 G HA3 -0.200 3.760 3.960 0.000 0.000 0.678 169 G C 0.259 175.165 174.900 0.009 0.000 1.349 169 G CA 0.086 45.200 45.100 0.024 0.000 0.847 169 G HN 0.199 nan 8.290 nan 0.000 0.548 170 K N 0.228 120.630 120.400 0.005 0.000 1.991 170 K HA -0.097 4.223 4.320 0.000 0.000 0.212 170 K C 1.849 178.444 176.600 -0.008 0.000 1.049 170 K CA 1.967 58.253 56.287 -0.002 0.000 0.932 170 K CB -0.098 32.402 32.500 -0.000 0.000 0.717 170 K HN 0.631 nan 8.250 nan 0.000 0.441 171 E N 0.798 120.993 120.200 -0.008 0.000 2.403 171 E HA 0.047 4.397 4.350 0.000 0.000 0.187 171 E C 0.618 177.205 176.600 -0.023 0.000 1.073 171 E CA -0.460 55.930 56.400 -0.017 0.000 0.888 171 E CB 0.403 30.093 29.700 -0.016 0.000 1.035 171 E HN 0.277 nan 8.360 nan 0.000 0.471 172 G N 0.856 109.647 108.800 -0.016 0.000 2.535 172 G HA2 0.455 4.415 3.960 0.000 0.000 0.282 172 G HA3 0.455 4.415 3.960 0.000 0.000 0.282 172 G C -0.147 174.731 174.900 -0.035 0.000 1.350 172 G CA -0.601 44.490 45.100 -0.015 0.000 1.039 172 G HN 0.054 nan 8.290 nan 0.000 0.509 173 I N 0.206 120.753 120.570 -0.038 0.000 2.404 173 I HA 0.434 4.604 4.170 0.000 0.000 0.293 173 I C -0.562 175.509 176.117 -0.077 0.000 0.992 173 I CA -0.282 60.985 61.300 -0.055 0.000 1.149 173 I CB 1.725 39.696 38.000 -0.048 0.000 1.315 173 I HN 0.141 nan 8.210 nan 0.000 0.446 174 I N 4.789 125.312 120.570 -0.079 0.000 2.686 174 I HA 0.534 4.704 4.170 0.000 0.000 0.295 174 I C -0.686 175.383 176.117 -0.080 0.000 1.114 174 I CA -0.349 60.889 61.300 -0.103 0.000 1.038 174 I CB 2.646 40.587 38.000 -0.097 0.000 1.238 174 I HN 0.481 nan 8.210 nan 0.000 0.420 175 T N 3.556 118.059 114.554 -0.085 0.000 2.868 175 T HA 0.500 4.850 4.350 0.000 0.000 0.306 175 T C -1.007 173.666 174.700 -0.045 0.000 1.224 175 T CA -0.567 61.501 62.100 -0.054 0.000 1.012 175 T CB 2.631 71.474 68.868 -0.042 0.000 1.221 175 T HN 0.190 nan 8.240 nan 0.000 0.499 176 V N 2.584 122.490 119.914 -0.014 0.000 2.378 176 V HA 0.521 4.641 4.120 0.000 0.000 0.288 176 V C -0.559 175.548 176.094 0.022 0.000 1.016 176 V CA -0.727 61.583 62.300 0.016 0.000 0.840 176 V CB 1.522 33.379 31.823 0.057 0.000 0.994 176 V HN 0.740 nan 8.190 nan 0.000 0.431 177 E N 2.881 123.094 120.200 0.021 0.000 2.227 177 E HA 0.433 4.783 4.350 0.000 0.000 0.268 177 E C -0.663 175.958 176.600 0.035 0.000 0.907 177 E CA -0.934 55.478 56.400 0.021 0.000 0.786 177 E CB 2.243 31.947 29.700 0.006 0.000 1.191 177 E HN 0.614 nan 8.360 nan 0.000 0.411 178 E N 0.969 121.186 120.200 0.029 0.000 1.858 178 E HA 0.093 4.443 4.350 0.000 0.000 0.267 178 E C 0.178 176.792 176.600 0.025 0.000 1.215 178 E CA -0.000 56.418 56.400 0.030 0.000 0.952 178 E CB 0.396 30.108 29.700 0.020 0.000 1.058 178 E HN 0.260 nan 8.360 nan 0.000 0.407 179 S N 2.582 118.301 115.700 0.031 0.000 2.612 179 S HA 0.020 4.490 4.470 0.000 0.000 0.253 179 S C 0.917 175.529 174.600 0.020 0.000 1.346 179 S CA 0.082 58.296 58.200 0.024 0.000 0.976 179 S CB 0.633 63.850 63.200 0.030 0.000 0.949 179 S HN 0.507 nan 8.310 nan 0.000 0.584 180 K N 0.121 120.530 120.400 0.016 0.000 2.399 180 K HA 0.143 4.463 4.320 0.000 0.000 0.196 180 K C 0.612 177.221 176.600 0.015 0.000 1.117 180 K CA 0.116 56.411 56.287 0.013 0.000 0.965 180 K CB 0.192 32.697 32.500 0.008 0.000 0.983 180 K HN 0.654 nan 8.250 nan 0.000 0.531 181 S N 0.931 116.641 115.700 0.017 0.000 2.584 181 S HA 0.142 4.613 4.470 0.000 0.000 0.270 181 S C 0.920 175.534 174.600 0.023 0.000 1.346 181 S CA -0.479 57.732 58.200 0.018 0.000 1.018 181 S CB 0.534 63.745 63.200 0.018 0.000 0.899 181 S HN 0.155 nan 8.310 nan 0.000 0.542 182 L N 0.300 121.536 121.223 0.021 0.000 2.645 182 L HA 0.310 4.650 4.340 0.000 0.000 0.234 182 L C 0.582 177.471 176.870 0.032 0.000 1.165 182 L CA 0.338 55.194 54.840 0.025 0.000 0.944 182 L CB -0.823 41.248 42.059 0.019 0.000 1.149 182 L HN 0.712 nan 8.230 nan 0.000 0.446 183 E N -0.368 119.851 120.200 0.032 0.000 2.288 183 E HA 0.360 4.711 4.350 0.000 0.000 0.268 183 E C -0.743 175.880 176.600 0.037 0.000 0.885 183 E CA -0.548 55.872 56.400 0.033 0.000 0.767 183 E CB 2.293 32.006 29.700 0.022 0.000 1.220 183 E HN -0.121 nan 8.360 nan 0.000 0.427 184 T N 2.546 117.122 114.554 0.036 0.000 2.767 184 T HA 0.315 4.665 4.350 0.000 0.000 0.288 184 T C -0.514 174.181 174.700 -0.008 0.000 0.963 184 T CA -0.459 61.654 62.100 0.022 0.000 1.019 184 T CB 0.644 69.519 68.868 0.013 0.000 0.923 184 T HN 0.366 nan 8.240 nan 0.000 0.468 185 E N 1.461 121.657 120.200 -0.007 0.000 2.410 185 E HA 0.646 4.996 4.350 0.000 0.000 0.269 185 E C -1.415 175.177 176.600 -0.013 0.000 0.937 185 E CA -1.119 55.278 56.400 -0.005 0.000 0.793 185 E CB 1.916 31.623 29.700 0.012 0.000 1.314 185 E HN 0.270 nan 8.360 nan 0.000 0.447 186 L N 1.183 122.412 121.223 0.010 0.000 2.325 186 L HA 0.486 4.826 4.340 0.000 0.000 0.281 186 L C -1.535 175.389 176.870 0.090 0.000 1.004 186 L CA -0.219 54.627 54.840 0.010 0.000 0.823 186 L CB 0.762 42.845 42.059 0.040 0.000 1.236 186 L HN 0.427 nan 8.230 nan 0.000 0.415 187 K N 5.111 125.531 120.400 0.034 0.000 2.378 187 K HA 0.498 4.818 4.320 0.000 0.000 0.252 187 K C -1.427 175.225 176.600 0.086 0.000 0.931 187 K CA -0.381 55.986 56.287 0.135 0.000 0.794 187 K CB 1.920 34.459 32.500 0.066 0.000 1.181 187 K HN 0.309 nan 8.250 nan 0.000 0.425 188 F N 2.392 122.339 119.950 -0.004 0.000 2.359 188 F HA 0.184 4.711 4.527 0.000 0.000 0.355 188 F C 0.429 176.231 175.800 0.003 0.000 1.132 188 F CA -0.812 57.188 58.000 -0.001 0.000 1.246 188 F CB 0.073 39.072 39.000 -0.002 0.000 1.569 188 F HN 0.155 nan 8.300 nan 0.000 0.561 189 V N 0.841 120.813 119.914 0.097 0.000 3.751 189 V HA 0.224 4.344 4.120 0.000 0.000 0.274 189 V C 0.506 176.642 176.094 0.070 0.000 0.960 189 V CA -0.773 61.568 62.300 0.069 0.000 0.960 189 V CB 0.731 32.572 31.823 0.030 0.000 1.244 189 V HN 0.300 nan 8.190 nan 0.000 0.417 190 E N 0.169 120.400 120.200 0.051 0.000 2.207 190 E HA 0.720 5.070 4.350 0.000 0.000 0.270 190 E C 0.016 176.648 176.600 0.053 0.000 0.927 190 E CA 0.064 56.496 56.400 0.054 0.000 0.799 190 E CB 1.735 31.458 29.700 0.039 0.000 1.172 190 E HN 0.931 nan 8.360 nan 0.000 0.404 191 G N 0.448 109.295 108.800 0.079 0.000 2.321 191 G HA2 0.335 4.295 3.960 0.000 0.000 0.296 191 G HA3 0.335 4.295 3.960 0.000 0.000 0.296 191 G C -2.149 172.881 174.900 0.217 0.000 1.287 191 G CA -0.574 44.592 45.100 0.110 0.000 0.846 191 G HN 0.304 nan 8.290 nan 0.000 0.508 192 Y N -0.414 119.907 120.300 0.036 0.000 2.705 192 Y HA 0.794 5.344 4.550 0.000 0.000 0.332 192 Y C -0.984 174.979 175.900 0.106 0.000 1.221 192 Y CA -0.683 57.449 58.100 0.054 0.000 1.059 192 Y CB 2.488 40.968 38.460 0.033 0.000 1.298 192 Y HN 0.774 nan 8.280 nan 0.000 0.459 193 Q N 3.203 122.948 119.800 -0.091 0.000 2.430 193 Q HA 0.433 4.773 4.340 0.000 0.000 0.253 193 Q C -2.142 173.840 176.000 -0.031 0.000 0.945 193 Q CA -0.481 55.329 55.803 0.012 0.000 0.964 193 Q CB 1.535 30.235 28.738 -0.064 0.000 1.460 193 Q HN 0.592 nan 8.270 nan 0.000 0.428 194 F N 0.031 119.887 119.950 -0.157 0.000 2.611 194 F HA 0.637 5.165 4.527 0.000 0.000 0.324 194 F C -0.371 175.381 175.800 -0.081 0.000 1.061 194 F CA -1.178 56.742 58.000 -0.134 0.000 0.954 194 F CB 1.313 40.279 39.000 -0.057 0.000 1.301 194 F HN 0.218 nan 8.300 nan 0.000 0.482 195 D N 3.082 123.441 120.400 -0.068 0.000 2.558 195 D HA 0.254 4.894 4.640 0.000 0.000 0.221 195 D C -0.460 175.743 176.300 -0.161 0.000 1.143 195 D CA 0.205 54.124 54.000 -0.134 0.000 1.010 195 D CB 0.390 41.172 40.800 -0.030 0.000 1.068 195 D HN 0.341 nan 8.370 nan 0.000 0.511 196 K N 0.177 120.357 120.400 -0.367 0.000 2.568 196 K HA 0.663 4.983 4.320 0.000 0.000 0.273 196 K C -0.000 176.385 176.600 -0.357 0.000 0.951 196 K CA -0.824 55.300 56.287 -0.272 0.000 0.854 196 K CB 2.672 35.089 32.500 -0.140 0.000 1.424 196 K HN 0.308 nan 8.250 nan 0.000 0.427 197 G N 0.072 108.735 108.800 -0.229 0.000 3.022 197 G HA2 0.510 4.470 3.960 0.000 0.000 0.284 197 G HA3 0.510 4.470 3.960 0.000 0.000 0.284 197 G C -1.232 173.608 174.900 -0.101 0.000 1.375 197 G CA -0.742 44.197 45.100 -0.270 0.000 0.902 197 G HN 0.442 nan 8.290 nan 0.000 0.538 198 Y N 0.001 120.344 120.300 0.072 0.000 2.729 198 Y HA 0.259 4.810 4.550 0.000 0.000 0.331 198 Y C 1.453 177.455 175.900 0.170 0.000 1.208 198 Y CA -0.920 57.295 58.100 0.190 0.000 1.521 198 Y CB -0.103 38.511 38.460 0.256 0.000 1.233 198 Y HN 0.284 nan 8.280 nan 0.000 0.539 199 I N 1.563 122.376 120.570 0.406 0.000 2.657 199 I HA -0.198 3.972 4.170 0.000 0.000 0.261 199 I C 0.967 177.193 176.117 0.182 0.000 1.212 199 I CA 1.525 62.985 61.300 0.267 0.000 1.453 199 I CB -0.152 38.014 38.000 0.277 0.000 1.092 199 I HN 0.690 nan 8.210 nan 0.000 0.452 200 S N -0.142 115.628 115.700 0.117 0.000 2.575 200 S HA 0.345 4.815 4.470 0.000 0.000 0.278 200 S C -2.023 172.489 174.600 -0.147 0.000 1.139 200 S CA -1.304 56.815 58.200 -0.135 0.000 0.954 200 S CB 1.761 64.615 63.200 -0.578 0.000 1.054 200 S HN -0.149 nan 8.310 nan 0.000 0.483 201 P HA -0.041 nan 4.420 nan 0.000 0.231 201 P C 0.450 177.478 177.300 -0.453 0.000 1.158 201 P CA 0.699 63.612 63.100 -0.311 0.000 0.763 201 P CB -0.173 31.465 31.700 -0.104 0.000 0.805 202 Y N -1.489 118.555 120.300 -0.427 0.000 2.516 202 Y HA 0.098 4.648 4.550 0.000 0.000 0.291 202 Y C 2.163 177.940 175.900 -0.206 0.000 1.131 202 Y CA 0.559 58.467 58.100 -0.319 0.000 1.281 202 Y CB -1.115 37.157 38.460 -0.313 0.000 1.013 202 Y HN -0.093 nan 8.280 nan 0.000 0.554 203 F N -1.091 118.805 119.950 -0.089 0.000 2.748 203 F HA 0.001 4.528 4.527 0.001 0.000 0.299 203 F C 0.814 176.500 175.800 -0.191 0.000 1.154 203 F CA -0.484 57.456 58.000 -0.100 0.000 1.446 203 F CB -0.042 38.931 39.000 -0.046 0.000 1.112 203 F HN -0.300 nan 8.300 nan 0.000 0.584 204 V N 0.967 120.768 119.914 -0.190 0.000 2.673 204 V HA -0.126 3.994 4.120 0.000 0.000 0.303 204 V C 1.096 177.150 176.094 -0.067 0.000 1.046 204 V CA 0.851 63.028 62.300 -0.205 0.000 1.126 204 V CB 1.133 32.776 31.823 -0.301 0.000 0.934 204 V HN 0.237 nan 8.190 nan 0.000 0.487 205 T N 2.611 117.148 114.554 -0.028 0.000 2.953 205 T HA 0.007 4.357 4.350 0.000 0.000 0.247 205 T C 0.922 175.609 174.700 -0.021 0.000 1.029 205 T CA 0.485 62.579 62.100 -0.010 0.000 1.144 205 T CB -0.056 68.817 68.868 0.008 0.000 0.870 205 T HN 0.621 nan 8.240 nan 0.000 0.446 206 N N 1.592 120.282 118.700 -0.016 0.000 2.469 206 N HA 0.218 4.958 4.740 0.000 0.000 0.253 206 N C -2.443 173.051 175.510 -0.027 0.000 0.970 206 N CA -2.067 50.972 53.050 -0.017 0.000 0.940 206 N CB 2.156 40.643 38.487 -0.001 0.000 1.128 206 N HN -0.092 nan 8.380 nan 0.000 0.503 207 P HA -0.111 nan 4.420 nan 0.000 0.215 207 P C 0.679 177.961 177.300 -0.029 0.000 1.153 207 P CA 1.401 64.471 63.100 -0.050 0.000 0.853 207 P CB 0.567 32.234 31.700 -0.055 0.000 0.788 208 E N -0.716 119.471 120.200 -0.022 0.000 2.012 208 E HA -0.168 4.183 4.350 0.000 0.000 0.197 208 E C 2.004 178.603 176.600 -0.001 0.000 1.007 208 E CA 2.077 58.467 56.400 -0.017 0.000 0.816 208 E CB -1.030 28.654 29.700 -0.027 0.000 0.762 208 E HN 0.345 nan 8.360 nan 0.000 0.451 209 T N -0.961 113.599 114.554 0.010 0.000 3.007 209 T HA -0.079 4.271 4.350 0.000 0.000 0.270 209 T C 1.106 175.839 174.700 0.055 0.000 1.107 209 T CA 0.456 62.578 62.100 0.036 0.000 1.118 209 T CB 0.021 68.914 68.868 0.042 0.000 0.889 209 T HN 0.060 nan 8.240 nan 0.000 0.506 210 M N 1.019 120.647 119.600 0.046 0.000 2.537 210 M HA -0.139 4.341 4.480 0.000 0.000 0.205 210 M C -0.491 175.919 176.300 0.183 0.000 0.450 210 M CA 0.743 56.093 55.300 0.084 0.000 0.553 210 M CB -2.260 30.408 32.600 0.113 0.000 2.046 210 M HN 0.629 nan 8.290 nan 0.000 0.797 211 E N -0.443 119.831 120.200 0.125 0.000 2.299 211 E HA 0.802 5.152 4.350 0.000 0.000 0.260 211 E C -0.042 176.624 176.600 0.110 0.000 0.944 211 E CA -0.581 55.923 56.400 0.174 0.000 0.815 211 E CB 1.735 31.497 29.700 0.103 0.000 1.252 211 E HN 0.361 nan 8.360 nan 0.000 0.418 212 A N 1.402 124.309 122.820 0.145 0.000 2.323 212 A HA 0.462 4.782 4.320 0.000 0.000 0.305 212 A C -0.943 176.685 177.584 0.073 0.000 1.275 212 A CA -0.555 51.537 52.037 0.091 0.000 0.804 212 A CB 0.536 19.619 19.000 0.137 0.000 1.152 212 A HN 0.269 nan 8.150 nan 0.000 0.487 213 V N 4.243 124.183 119.914 0.043 0.000 2.370 213 V HA 0.429 4.549 4.120 0.000 0.000 0.279 213 V C -0.254 175.851 176.094 0.018 0.000 1.029 213 V CA -0.187 62.131 62.300 0.030 0.000 0.870 213 V CB 1.090 32.927 31.823 0.023 0.000 0.984 213 V HN 0.745 nan 8.190 nan 0.000 0.451 214 L N 4.958 126.190 121.223 0.014 0.000 2.333 214 L HA 0.624 4.964 4.340 0.000 0.000 0.280 214 L C -0.142 176.723 176.870 -0.008 0.000 1.004 214 L CA -0.450 54.392 54.840 0.003 0.000 0.820 214 L CB 2.049 44.109 42.059 0.002 0.000 1.247 214 L HN 0.572 nan 8.230 nan 0.000 0.416 215 E N 2.912 123.102 120.200 -0.016 0.000 2.158 215 E HA 0.177 4.527 4.350 0.000 0.000 0.271 215 E C -1.102 175.466 176.600 -0.054 0.000 0.911 215 E CA -0.657 55.726 56.400 -0.028 0.000 0.767 215 E CB 1.387 31.075 29.700 -0.019 0.000 1.120 215 E HN 0.489 nan 8.360 nan 0.000 0.405 216 D N 1.667 122.020 120.400 -0.079 0.000 2.812 216 D HA -0.182 4.458 4.640 0.000 0.000 0.237 216 D C -1.151 175.023 176.300 -0.210 0.000 1.162 216 D CA 0.880 54.797 54.000 -0.139 0.000 0.740 216 D CB -0.559 40.171 40.800 -0.116 0.000 1.000 216 D HN 0.479 nan 8.370 nan 0.000 0.416 217 A N 0.572 123.270 122.820 -0.203 0.000 2.350 217 A HA 0.782 5.103 4.320 0.000 0.000 0.318 217 A C -0.216 177.192 177.584 -0.294 0.000 1.132 217 A CA -0.647 51.269 52.037 -0.202 0.000 0.811 217 A CB 0.994 19.966 19.000 -0.047 0.000 1.313 217 A HN 0.084 nan 8.150 nan 0.000 0.454 218 F N -0.332 119.616 119.950 -0.002 0.000 2.371 218 F HA 0.526 5.053 4.527 0.000 0.000 0.329 218 F C 0.441 176.240 175.800 -0.001 0.000 1.107 218 F CA -0.051 57.948 58.000 -0.002 0.000 1.137 218 F CB 1.167 40.166 39.000 -0.003 0.000 1.214 218 F HN 0.229 nan 8.300 nan 0.000 0.536 219 I N 3.997 124.674 120.570 0.178 0.000 2.621 219 I HA 0.138 4.309 4.170 0.000 0.000 0.276 219 I C -0.926 175.243 176.117 0.087 0.000 1.118 219 I CA -0.728 60.633 61.300 0.101 0.000 1.159 219 I CB 0.978 39.013 38.000 0.058 0.000 1.357 219 I HN 0.302 nan 8.210 nan 0.000 0.513 220 L N 7.655 128.928 121.223 0.084 0.000 2.600 220 L HA 0.227 4.567 4.340 0.000 0.000 0.278 220 L C -0.182 176.710 176.870 0.037 0.000 1.139 220 L CA 0.739 55.612 54.840 0.055 0.000 0.933 220 L CB -0.330 41.753 42.059 0.039 0.000 1.266 220 L HN 0.354 nan 8.230 nan 0.000 0.471 221 I N 6.465 127.051 120.570 0.027 0.000 2.282 221 I HA 0.233 4.403 4.170 0.000 0.000 0.290 221 I C -0.031 176.094 176.117 0.014 0.000 1.090 221 I CA -0.447 60.855 61.300 0.004 0.000 1.231 221 I CB 0.608 38.593 38.000 -0.026 0.000 1.434 221 I HN 0.329 nan 8.210 nan 0.000 0.487 222 V N 5.670 125.594 119.914 0.016 0.000 3.109 222 V HA 0.274 4.395 4.120 0.000 0.000 0.317 222 V C 0.871 176.973 176.094 0.013 0.000 1.074 222 V CA -0.332 61.981 62.300 0.022 0.000 1.033 222 V CB 2.084 33.920 31.823 0.021 0.000 1.111 222 V HN 0.808 nan 8.190 nan 0.000 0.458 223 E N 0.015 120.226 120.200 0.018 0.000 2.639 223 E HA 0.199 4.549 4.350 0.000 0.000 0.225 223 E C 0.548 177.159 176.600 0.017 0.000 0.921 223 E CA -0.170 56.237 56.400 0.013 0.000 1.184 223 E CB 0.665 30.374 29.700 0.014 0.000 1.160 223 E HN 0.629 nan 8.360 nan 0.000 0.547 224 K N 0.759 121.170 120.400 0.017 0.000 2.240 224 K HA 0.292 4.612 4.320 0.000 0.000 0.237 224 K C -0.593 176.019 176.600 0.020 0.000 1.027 224 K CA -0.611 55.685 56.287 0.015 0.000 0.937 224 K CB 1.099 33.602 32.500 0.005 0.000 1.171 224 K HN -0.218 nan 8.250 nan 0.000 0.479 225 K N 1.973 122.385 120.400 0.020 0.000 2.231 225 K HA 0.173 4.493 4.320 0.000 0.000 0.275 225 K C -0.961 175.650 176.600 0.020 0.000 1.105 225 K CA -0.398 55.904 56.287 0.026 0.000 0.931 225 K CB 1.058 33.575 32.500 0.028 0.000 1.296 225 K HN 0.283 nan 8.250 nan 0.000 0.446 226 V N 3.522 123.449 119.914 0.023 0.000 2.390 226 V HA -0.059 4.062 4.120 0.000 0.000 0.260 226 V C 1.143 177.251 176.094 0.023 0.000 1.043 226 V CA 0.512 62.822 62.300 0.017 0.000 1.047 226 V CB 0.251 32.085 31.823 0.019 0.000 1.066 226 V HN 0.830 nan 8.190 nan 0.000 0.481 227 S N 2.336 118.044 115.700 0.014 0.000 2.628 227 S HA 0.155 4.625 4.470 0.000 0.000 0.246 227 S C 0.470 175.075 174.600 0.008 0.000 1.062 227 S CA -0.381 57.828 58.200 0.015 0.000 1.028 227 S CB 0.030 63.239 63.200 0.015 0.000 0.985 227 S HN 0.616 nan 8.310 nan 0.000 0.551 228 N N 1.030 119.730 118.700 0.000 0.000 2.438 228 N HA 0.447 5.187 4.740 0.000 0.000 0.282 228 N C 0.875 176.380 175.510 -0.008 0.000 1.037 228 N CA -0.313 52.733 53.050 -0.006 0.000 0.942 228 N CB 1.609 40.089 38.487 -0.013 0.000 1.136 228 N HN -0.080 nan 8.380 nan 0.000 0.481 229 V N 3.308 123.218 119.914 -0.006 0.000 2.307 229 V HA -0.163 3.957 4.120 0.000 0.000 0.245 229 V C 2.385 178.470 176.094 -0.015 0.000 1.045 229 V CA 1.459 63.754 62.300 -0.007 0.000 1.024 229 V CB -0.674 31.146 31.823 -0.005 0.000 0.651 229 V HN 0.674 nan 8.190 nan 0.000 0.449 230 R N 1.688 122.178 120.500 -0.018 0.000 2.096 230 R HA -0.229 4.111 4.340 0.000 0.000 0.240 230 R C 2.132 178.412 176.300 -0.034 0.000 1.139 230 R CA 2.305 58.390 56.100 -0.024 0.000 0.952 230 R CB -0.681 29.605 30.300 -0.023 0.000 0.854 230 R HN 0.805 nan 8.270 nan 0.000 0.436 231 E N -0.789 119.388 120.200 -0.038 0.000 2.511 231 E HA -0.084 4.266 4.350 0.000 0.000 0.196 231 E C 1.716 178.284 176.600 -0.053 0.000 1.066 231 E CA 0.639 57.006 56.400 -0.056 0.000 0.871 231 E CB -0.097 29.567 29.700 -0.061 0.000 0.863 231 E HN 0.456 nan 8.360 nan 0.000 0.520 232 L N -0.193 121.008 121.223 -0.036 0.000 2.624 232 L HA 0.192 4.532 4.340 0.000 0.000 0.222 232 L C 2.009 178.862 176.870 -0.028 0.000 1.046 232 L CA 0.025 54.847 54.840 -0.029 0.000 0.872 232 L CB 0.140 42.190 42.059 -0.015 0.000 1.190 232 L HN 0.152 nan 8.230 nan 0.000 0.487 233 L N 1.188 122.396 121.223 -0.025 0.000 2.021 233 L HA -0.195 4.145 4.340 0.000 0.000 0.215 233 L C -0.444 176.408 176.870 -0.029 0.000 1.074 233 L CA 1.882 56.708 54.840 -0.023 0.000 0.760 233 L CB -1.827 40.221 42.059 -0.020 0.000 0.889 233 L HN 0.285 nan 8.230 nan 0.000 0.433 234 P HA -0.240 nan 4.420 nan 0.000 0.211 234 P C 1.733 179.007 177.300 -0.043 0.000 1.181 234 P CA 1.907 64.985 63.100 -0.037 0.000 0.929 234 P CB -0.107 31.569 31.700 -0.041 0.000 0.789 235 I N -1.338 119.204 120.570 -0.047 0.000 2.335 235 I HA -0.219 3.951 4.170 0.000 0.000 0.251 235 I C 2.636 178.713 176.117 -0.067 0.000 1.129 235 I CA 0.856 62.120 61.300 -0.060 0.000 1.402 235 I CB -0.787 37.183 38.000 -0.050 0.000 1.069 235 I HN -0.115 nan 8.210 nan 0.000 0.424 236 L N 0.677 121.872 121.223 -0.047 0.000 2.079 236 L HA -0.203 4.137 4.340 0.000 0.000 0.210 236 L C 2.496 179.342 176.870 -0.040 0.000 1.081 236 L CA 1.867 56.685 54.840 -0.038 0.000 0.752 236 L CB -0.595 41.451 42.059 -0.023 0.000 0.896 236 L HN 0.218 nan 8.230 nan 0.000 0.433 237 E N -0.960 119.216 120.200 -0.040 0.000 2.028 237 E HA -0.224 4.126 4.350 0.000 0.000 0.190 237 E C 2.061 178.631 176.600 -0.051 0.000 0.984 237 E CA 1.251 57.629 56.400 -0.036 0.000 0.800 237 E CB -0.189 29.493 29.700 -0.030 0.000 0.758 237 E HN 0.643 nan 8.360 nan 0.000 0.448 238 Q N 0.555 120.313 119.800 -0.071 0.000 2.096 238 Q HA -0.169 4.171 4.340 0.000 0.000 0.208 238 Q C 2.377 178.298 176.000 -0.132 0.000 0.993 238 Q CA 1.774 57.518 55.803 -0.097 0.000 0.862 238 Q CB -0.273 28.393 28.738 -0.121 0.000 0.915 238 Q HN 0.120 nan 8.270 nan 0.000 0.416 239 V N 0.861 120.677 119.914 -0.163 0.000 2.626 239 V HA -0.236 3.884 4.120 0.000 0.000 0.252 239 V C 2.235 178.302 176.094 -0.045 0.000 1.067 239 V CA 1.482 63.676 62.300 -0.177 0.000 1.081 239 V CB -1.023 30.708 31.823 -0.154 0.000 0.686 239 V HN 0.396 nan 8.190 nan 0.000 0.468 240 A N -0.307 122.494 122.820 -0.033 0.000 1.877 240 A HA -0.279 4.041 4.320 0.000 0.000 0.216 240 A C 2.146 179.733 177.584 0.005 0.000 1.186 240 A CA 1.796 53.830 52.037 -0.004 0.000 0.620 240 A CB -0.458 18.537 19.000 -0.009 0.000 0.822 240 A HN 0.610 nan 8.150 nan 0.000 0.443 241 Q N -0.797 118.998 119.800 -0.008 0.000 2.488 241 Q HA -0.043 4.297 4.340 0.000 0.000 0.211 241 Q C 1.494 177.505 176.000 0.018 0.000 0.967 241 Q CA 1.217 57.021 55.803 0.002 0.000 0.926 241 Q CB -0.180 28.553 28.738 -0.009 0.000 0.992 241 Q HN 0.659 nan 8.270 nan 0.000 0.506 242 T N -0.874 113.698 114.554 0.031 0.000 3.023 242 T HA 0.022 4.372 4.350 0.000 0.000 0.266 242 T C 1.409 176.172 174.700 0.106 0.000 1.093 242 T CA 0.927 63.080 62.100 0.089 0.000 1.129 242 T CB 0.053 69.022 68.868 0.169 0.000 0.899 242 T HN 0.600 nan 8.240 nan 0.000 0.491 243 G N 1.538 110.386 108.800 0.081 0.000 2.205 243 G HA2 -0.264 3.696 3.960 0.000 0.000 0.261 243 G HA3 -0.264 3.696 3.960 0.000 0.000 0.261 243 G C 0.144 175.091 174.900 0.078 0.000 0.980 243 G CA 0.222 45.361 45.100 0.065 0.000 0.632 243 G HN 0.478 nan 8.290 nan 0.000 0.533 244 K N 1.335 121.817 120.400 0.137 0.000 2.095 244 K HA 0.521 4.842 4.320 0.000 0.000 0.252 244 K C -2.119 174.564 176.600 0.139 0.000 0.977 244 K CA -1.664 54.702 56.287 0.131 0.000 0.900 244 K CB 1.752 34.355 32.500 0.172 0.000 1.060 244 K HN 0.102 nan 8.250 nan 0.000 0.449 245 P HA 0.188 nan 4.420 nan 0.000 0.276 245 P C -1.290 176.076 177.300 0.109 0.000 1.252 245 P CA -0.547 62.591 63.100 0.063 0.000 0.802 245 P CB 0.769 32.479 31.700 0.018 0.000 1.035 246 L N 1.688 122.952 121.223 0.068 0.000 2.410 246 L HA 0.540 4.880 4.340 0.000 0.000 0.270 246 L C -1.554 175.323 176.870 0.011 0.000 0.983 246 L CA -0.969 53.922 54.840 0.084 0.000 0.822 246 L CB 1.727 43.831 42.059 0.076 0.000 1.285 246 L HN 0.165 nan 8.230 nan 0.000 0.409 247 L N 6.216 127.460 121.223 0.036 0.000 2.280 247 L HA 0.636 4.976 4.340 0.000 0.000 0.287 247 L C -1.119 175.766 176.870 0.026 0.000 1.023 247 L CA -0.041 54.807 54.840 0.013 0.000 0.819 247 L CB 0.927 43.015 42.059 0.047 0.000 1.212 247 L HN 0.574 nan 8.230 nan 0.000 0.420 248 I N 6.479 127.045 120.570 -0.007 0.000 2.331 248 I HA 0.318 4.488 4.170 0.000 0.000 0.292 248 I C -0.065 176.085 176.117 0.055 0.000 0.998 248 I CA -0.194 61.115 61.300 0.016 0.000 1.267 248 I CB 1.257 39.252 38.000 -0.008 0.000 1.386 248 I HN 0.568 nan 8.210 nan 0.000 0.476 249 I N 6.421 127.027 120.570 0.060 0.000 2.954 249 I HA 0.341 4.511 4.170 0.000 0.000 0.312 249 I C 0.561 176.705 176.117 0.045 0.000 1.391 249 I CA -0.117 61.231 61.300 0.079 0.000 0.906 249 I CB 0.565 38.597 38.000 0.055 0.000 2.079 249 I HN 0.617 nan 8.210 nan 0.000 0.618 250 A N 2.065 124.917 122.820 0.054 0.000 2.240 250 A HA 0.301 4.621 4.320 0.000 0.000 0.292 250 A C 1.366 178.978 177.584 0.047 0.000 1.121 250 A CA -0.286 51.775 52.037 0.040 0.000 0.851 250 A CB 0.445 19.470 19.000 0.042 0.000 1.167 250 A HN 0.704 nan 8.150 nan 0.000 0.503 251 E N -0.830 119.392 120.200 0.036 0.000 2.347 251 E HA 0.020 4.370 4.350 0.000 0.000 0.196 251 E C -0.303 176.332 176.600 0.058 0.000 1.008 251 E CA 0.990 57.413 56.400 0.039 0.000 0.852 251 E CB 0.190 29.910 29.700 0.033 0.000 0.783 251 E HN 0.481 nan 8.360 nan 0.000 0.505 252 D N -0.791 119.646 120.400 0.062 0.000 2.842 252 D HA 0.103 4.743 4.640 0.000 0.000 0.248 252 D C -1.872 174.471 176.300 0.072 0.000 1.140 252 D CA -0.528 53.516 54.000 0.074 0.000 0.728 252 D CB 2.186 43.026 40.800 0.067 0.000 1.595 252 D HN -0.066 nan 8.370 nan 0.000 0.450 253 V N 3.684 123.652 119.914 0.090 0.000 2.409 253 V HA 0.468 4.588 4.120 0.000 0.000 0.290 253 V C 0.215 176.360 176.094 0.085 0.000 1.017 253 V CA -0.508 61.846 62.300 0.090 0.000 0.841 253 V CB 1.411 33.309 31.823 0.126 0.000 1.003 253 V HN 0.532 nan 8.190 nan 0.000 0.426 254 E N 3.340 123.576 120.200 0.059 0.000 2.440 254 E HA 0.827 5.177 4.350 0.000 0.000 0.263 254 E C 0.577 177.195 176.600 0.031 0.000 0.938 254 E CA -0.374 56.052 56.400 0.044 0.000 0.831 254 E CB 1.728 31.450 29.700 0.037 0.000 1.456 254 E HN 0.869 nan 8.360 nan 0.000 0.427 255 G N 1.039 109.850 108.800 0.018 0.000 2.594 255 G HA2 -0.437 3.523 3.960 0.000 0.000 0.297 255 G HA3 -0.437 3.523 3.960 0.000 0.000 0.297 255 G C 0.726 175.630 174.900 0.007 0.000 1.273 255 G CA 0.879 45.984 45.100 0.009 0.000 0.974 255 G HN 0.753 nan 8.290 nan 0.000 0.552 256 E N 0.244 120.447 120.200 0.005 0.000 2.049 256 E HA -0.142 4.208 4.350 0.000 0.000 0.198 256 E C 3.081 179.690 176.600 0.014 0.000 1.007 256 E CA 1.765 58.167 56.400 0.004 0.000 0.809 256 E CB -0.400 29.301 29.700 0.002 0.000 0.749 256 E HN 0.821 nan 8.360 nan 0.000 0.450 257 A N 1.582 124.415 122.820 0.020 0.000 1.870 257 A HA -0.261 4.059 4.320 0.000 0.000 0.219 257 A C 2.253 179.873 177.584 0.059 0.000 1.224 257 A CA 1.939 53.996 52.037 0.033 0.000 0.650 257 A CB -0.976 18.044 19.000 0.033 0.000 0.836 257 A HN 0.264 nan 8.150 nan 0.000 0.454 258 L N -0.498 120.767 121.223 0.071 0.000 2.079 258 L HA -0.093 4.247 4.340 0.000 0.000 0.210 258 L C 2.710 179.625 176.870 0.075 0.000 1.081 258 L CA 2.323 57.230 54.840 0.112 0.000 0.752 258 L CB -0.897 41.214 42.059 0.087 0.000 0.896 258 L HN 0.417 nan 8.230 nan 0.000 0.433 259 A N -1.625 121.206 122.820 0.019 0.000 1.877 259 A HA -0.209 4.112 4.320 0.000 0.000 0.216 259 A C 2.258 179.844 177.584 0.003 0.000 1.186 259 A CA 2.363 54.388 52.037 -0.021 0.000 0.620 259 A CB -1.233 17.749 19.000 -0.029 0.000 0.822 259 A HN 0.502 nan 8.150 nan 0.000 0.443 260 T N 0.693 115.261 114.554 0.024 0.000 2.674 260 T HA -0.129 4.222 4.350 0.000 0.000 0.265 260 T C 1.841 176.578 174.700 0.062 0.000 1.039 260 T CA 1.530 63.647 62.100 0.029 0.000 1.150 260 T CB -0.510 68.372 68.868 0.023 0.000 0.864 260 T HN 0.352 nan 8.240 nan 0.000 0.427 261 L N 0.794 122.077 121.223 0.100 0.000 2.043 261 L HA -0.151 4.189 4.340 0.000 0.000 0.212 261 L C 2.663 179.692 176.870 0.266 0.000 1.075 261 L CA 1.112 56.043 54.840 0.151 0.000 0.752 261 L CB -0.773 41.395 42.059 0.182 0.000 0.891 261 L HN 0.173 nan 8.230 nan 0.000 0.432 262 V N -1.116 118.960 119.914 0.269 0.000 2.379 262 V HA -0.206 3.915 4.120 0.000 0.000 0.245 262 V C 2.371 178.515 176.094 0.083 0.000 1.044 262 V CA 1.304 63.717 62.300 0.188 0.000 1.036 262 V CB -0.137 31.610 31.823 -0.127 0.000 0.664 262 V HN 0.184 nan 8.190 nan 0.000 0.453 263 V N 0.793 120.726 119.914 0.033 0.000 2.237 263 V HA -0.252 3.868 4.120 0.000 0.000 0.245 263 V C 2.309 178.426 176.094 0.040 0.000 1.046 263 V CA 2.254 64.564 62.300 0.016 0.000 1.007 263 V CB -0.881 30.942 31.823 -0.000 0.000 0.638 263 V HN 0.575 nan 8.190 nan 0.000 0.445 264 N N 0.387 119.116 118.700 0.047 0.000 2.223 264 N HA -0.201 4.539 4.740 0.000 0.000 0.185 264 N C 1.849 177.391 175.510 0.055 0.000 1.016 264 N CA 1.552 54.627 53.050 0.042 0.000 0.863 264 N CB -0.264 38.243 38.487 0.034 0.000 0.983 264 N HN 0.492 nan 8.380 nan 0.000 0.429 265 K N 1.769 122.223 120.400 0.091 0.000 2.025 265 K HA 0.018 4.338 4.320 0.000 0.000 0.207 265 K C 1.813 178.468 176.600 0.092 0.000 1.049 265 K CA 1.023 57.376 56.287 0.111 0.000 0.933 265 K CB -0.430 32.204 32.500 0.224 0.000 0.714 265 K HN 0.111 nan 8.250 nan 0.000 0.438 266 L N 0.082 121.361 121.223 0.094 0.000 2.552 266 L HA 0.142 4.482 4.340 0.000 0.000 0.227 266 L C 2.591 179.484 176.870 0.038 0.000 1.146 266 L CA 0.434 55.316 54.840 0.070 0.000 0.858 266 L CB -0.196 41.916 42.059 0.088 0.000 0.969 266 L HN 0.197 nan 8.230 nan 0.000 0.451 267 R N 0.003 120.525 120.500 0.035 0.000 2.128 267 R HA 0.074 4.415 4.340 0.000 0.000 0.211 267 R C 1.403 177.713 176.300 0.017 0.000 1.067 267 R CA 0.963 57.075 56.100 0.021 0.000 1.010 267 R CB 0.333 30.645 30.300 0.020 0.000 0.922 267 R HN 0.291 nan 8.270 nan 0.000 0.457 268 G N -1.033 107.780 108.800 0.022 0.000 2.192 268 G HA2 -0.206 3.754 3.960 0.000 0.000 0.193 268 G HA3 -0.206 3.754 3.960 0.000 0.000 0.193 268 G C 0.769 175.679 174.900 0.017 0.000 0.999 268 G CA 0.405 45.515 45.100 0.017 0.000 0.659 268 G HN 0.352 nan 8.290 nan 0.000 0.503 269 T N -0.140 114.425 114.554 0.019 0.000 2.708 269 T HA 0.233 4.583 4.350 0.000 0.000 0.266 269 T C 0.869 175.580 174.700 0.018 0.000 1.037 269 T CA 1.491 63.600 62.100 0.016 0.000 1.146 269 T CB 0.210 69.088 68.868 0.015 0.000 0.865 269 T HN 0.487 nan 8.240 nan 0.000 0.435 270 L N 1.377 122.613 121.223 0.022 0.000 2.562 270 L HA 0.368 4.708 4.340 0.000 0.000 0.266 270 L C -0.925 175.957 176.870 0.020 0.000 0.949 270 L CA -0.745 54.107 54.840 0.020 0.000 0.879 270 L CB 1.932 44.000 42.059 0.014 0.000 1.278 270 L HN 0.122 nan 8.230 nan 0.000 0.404 271 S N 4.564 120.275 115.700 0.017 0.000 2.400 271 S HA 0.606 5.076 4.470 0.000 0.000 0.295 271 S C -0.279 174.306 174.600 -0.023 0.000 1.113 271 S CA -0.499 57.706 58.200 0.009 0.000 1.064 271 S CB 0.606 63.814 63.200 0.013 0.000 0.990 271 S HN 0.480 nan 8.310 nan 0.000 0.502 272 V N -0.205 119.662 119.914 -0.078 0.000 3.145 272 V HA 1.068 5.188 4.120 0.000 0.000 0.311 272 V C -0.189 175.643 176.094 -0.436 0.000 1.238 272 V CA -0.988 61.197 62.300 -0.192 0.000 1.066 272 V CB 1.048 32.751 31.823 -0.199 0.000 1.144 272 V HN 1.392 nan 8.190 nan 0.000 0.465 273 A N -0.036 122.422 122.820 -0.603 0.000 2.530 273 A HA 0.891 5.211 4.320 0.000 0.000 0.297 273 A C -0.581 176.683 177.584 -0.532 0.000 1.059 273 A CA 0.027 51.533 52.037 -0.884 0.000 0.782 273 A CB 0.851 19.693 19.000 -0.262 0.000 1.301 273 A HN 2.336 nan 8.150 nan 0.000 0.394 274 A N 1.542 124.052 122.820 -0.517 0.000 2.305 274 A HA 0.811 5.131 4.320 0.000 0.000 0.322 274 A C -0.517 177.180 177.584 0.189 0.000 1.187 274 A CA -0.485 51.550 52.037 -0.003 0.000 0.825 274 A CB 0.955 20.044 19.000 0.148 0.000 1.164 274 A HN 1.575 nan 8.150 nan 0.000 0.498 275 V N 2.705 122.716 119.914 0.162 0.000 2.789 275 V HA 0.317 4.437 4.120 0.000 0.000 0.311 275 V C -0.078 176.132 176.094 0.194 0.000 1.073 275 V CA -0.940 61.470 62.300 0.184 0.000 0.921 275 V CB 2.172 34.110 31.823 0.192 0.000 1.009 275 V HN 0.979 nan 8.190 nan 0.000 0.426 276 K N 2.077 122.579 120.400 0.171 0.000 2.258 276 K HA 0.611 4.932 4.320 0.000 0.000 0.264 276 K C 0.262 176.985 176.600 0.206 0.000 1.007 276 K CA -0.147 56.229 56.287 0.148 0.000 0.941 276 K CB 0.938 33.500 32.500 0.103 0.000 0.966 276 K HN 0.860 nan 8.250 nan 0.000 0.480 277 A N 4.189 127.067 122.820 0.098 0.000 2.511 277 A HA 0.165 4.485 4.320 0.000 0.000 0.242 277 A C -1.933 175.647 177.584 -0.006 0.000 1.069 277 A CA -1.033 51.016 52.037 0.020 0.000 0.763 277 A CB -0.465 18.510 19.000 -0.042 0.000 1.001 277 A HN 0.460 nan 8.150 nan 0.000 0.498 278 P HA 0.298 nan 4.420 nan 0.000 0.270 278 P C 0.798 177.967 177.300 -0.219 0.000 1.223 278 P CA 1.302 64.416 63.100 0.022 0.000 0.785 278 P CB 0.339 32.009 31.700 -0.050 0.000 0.923 279 G N 0.685 109.277 108.800 -0.345 0.000 2.740 279 G HA2 -0.163 3.797 3.960 0.000 0.000 0.250 279 G HA3 -0.163 3.797 3.960 0.000 0.000 0.250 279 G C -1.138 173.238 174.900 -0.872 0.000 1.358 279 G CA -0.311 44.518 45.100 -0.451 0.000 0.897 279 G HN 0.466 nan 8.290 nan 0.000 0.567 280 F N -0.272 119.720 119.950 0.071 0.000 2.601 280 F HA 0.666 5.194 4.527 0.000 0.000 0.309 280 F C 0.963 176.794 175.800 0.052 0.000 1.089 280 F CA 0.542 58.578 58.000 0.060 0.000 0.940 280 F CB 1.380 40.416 39.000 0.061 0.000 1.273 280 F HN 2.006 nan 8.300 nan 0.000 0.450 281 G N 1.907 110.830 108.800 0.205 0.000 2.569 281 G HA2 -0.276 3.685 3.960 0.000 0.000 0.259 281 G HA3 -0.276 3.685 3.960 0.000 0.000 0.259 281 G C 0.547 175.499 174.900 0.087 0.000 1.263 281 G CA 0.310 45.489 45.100 0.132 0.000 0.928 281 G HN 0.640 nan 8.290 nan 0.000 0.572 282 D N 0.111 120.555 120.400 0.074 0.000 2.149 282 D HA -0.165 4.475 4.640 0.000 0.000 0.194 282 D C 2.350 178.677 176.300 0.046 0.000 1.001 282 D CA 1.761 55.791 54.000 0.051 0.000 0.849 282 D CB -0.178 40.651 40.800 0.048 0.000 0.939 282 D HN 0.383 nan 8.370 nan 0.000 0.449 283 R N 1.346 121.887 120.500 0.069 0.000 2.154 283 R HA -0.166 4.174 4.340 0.000 0.000 0.248 283 R C 2.118 178.437 176.300 0.032 0.000 1.155 283 R CA 1.516 57.654 56.100 0.064 0.000 0.979 283 R CB -0.403 29.965 30.300 0.113 0.000 0.869 283 R HN 0.161 nan 8.270 nan 0.000 0.452 284 R N 0.054 120.566 120.500 0.020 0.000 2.057 284 R HA -0.058 4.282 4.340 0.000 0.000 0.229 284 R C 2.156 178.434 176.300 -0.037 0.000 1.136 284 R CA 1.839 57.922 56.100 -0.029 0.000 0.952 284 R CB -0.293 29.983 30.300 -0.039 0.000 0.848 284 R HN 0.173 nan 8.270 nan 0.000 0.430 285 K N 0.129 120.518 120.400 -0.019 0.000 2.103 285 K HA -0.222 4.098 4.320 0.000 0.000 0.207 285 K C 1.863 178.439 176.600 -0.040 0.000 1.048 285 K CA 1.910 58.180 56.287 -0.028 0.000 0.930 285 K CB -0.017 32.476 32.500 -0.011 0.000 0.716 285 K HN 0.066 nan 8.250 nan 0.000 0.444 286 E N 0.472 120.656 120.200 -0.025 0.000 2.110 286 E HA -0.136 4.214 4.350 0.000 0.000 0.193 286 E C 1.763 178.332 176.600 -0.051 0.000 0.988 286 E CA 1.513 57.896 56.400 -0.029 0.000 0.804 286 E CB 0.023 29.719 29.700 -0.007 0.000 0.745 286 E HN 0.360 nan 8.360 nan 0.000 0.458 287 M N -0.794 118.779 119.600 -0.046 0.000 2.388 287 M HA 0.004 4.484 4.480 0.000 0.000 0.265 287 M C 1.928 178.126 176.300 -0.171 0.000 1.088 287 M CA 0.606 55.873 55.300 -0.056 0.000 1.134 287 M CB 0.027 32.637 32.600 0.017 0.000 1.384 287 M HN 0.115 nan 8.290 nan 0.000 0.447 288 L N 0.100 121.232 121.223 -0.152 0.000 2.201 288 L HA -0.199 4.141 4.340 0.000 0.000 0.212 288 L C 2.281 179.045 176.870 -0.178 0.000 1.105 288 L CA 1.240 55.975 54.840 -0.176 0.000 0.775 288 L CB -0.371 41.618 42.059 -0.117 0.000 0.913 288 L HN 0.281 nan 8.230 nan 0.000 0.440 289 K N -0.417 119.892 120.400 -0.151 0.000 2.062 289 K HA -0.123 4.197 4.320 0.000 0.000 0.205 289 K C 1.661 178.138 176.600 -0.205 0.000 1.051 289 K CA 1.080 57.282 56.287 -0.140 0.000 0.941 289 K CB -0.124 32.317 32.500 -0.098 0.000 0.719 289 K HN 0.253 nan 8.250 nan 0.000 0.440 290 D N 1.189 121.422 120.400 -0.279 0.000 2.158 290 D HA -0.180 4.460 4.640 0.000 0.000 0.197 290 D C 1.895 177.843 176.300 -0.587 0.000 0.995 290 D CA 1.212 54.948 54.000 -0.440 0.000 0.846 290 D CB -0.033 40.397 40.800 -0.617 0.000 0.941 290 D HN 0.224 nan 8.370 nan 0.000 0.456 291 I N 1.163 121.401 120.570 -0.555 0.000 2.193 291 I HA -0.197 3.973 4.170 0.000 0.000 0.240 291 I C 2.705 178.687 176.117 -0.225 0.000 1.084 291 I CA 0.751 61.802 61.300 -0.415 0.000 1.365 291 I CB -0.327 37.480 38.000 -0.322 0.000 1.064 291 I HN -0.107 nan 8.210 nan 0.000 0.410 292 A N 1.098 123.812 122.820 -0.177 0.000 1.917 292 A HA -0.268 4.052 4.320 0.000 0.000 0.219 292 A C 2.546 180.069 177.584 -0.101 0.000 1.182 292 A CA 2.274 54.246 52.037 -0.109 0.000 0.633 292 A CB -0.959 17.987 19.000 -0.091 0.000 0.819 292 A HN 0.466 nan 8.150 nan 0.000 0.448 293 A N -0.650 122.093 122.820 -0.128 0.000 1.865 293 A HA -0.065 4.255 4.320 0.000 0.000 0.217 293 A C 2.132 179.665 177.584 -0.086 0.000 1.191 293 A CA 2.075 54.051 52.037 -0.103 0.000 0.623 293 A CB -1.024 17.907 19.000 -0.115 0.000 0.826 293 A HN 0.612 nan 8.150 nan 0.000 0.444 294 V N -0.282 119.566 119.914 -0.111 0.000 3.217 294 V HA -0.096 4.024 4.120 0.000 0.000 0.264 294 V C 2.255 178.323 176.094 -0.043 0.000 1.135 294 V CA 1.987 64.247 62.300 -0.066 0.000 1.142 294 V CB -0.918 30.869 31.823 -0.060 0.000 0.754 294 V HN 0.618 nan 8.190 nan 0.000 0.484 295 T N -0.519 114.003 114.554 -0.054 0.000 3.033 295 T HA 0.312 4.663 4.350 0.000 0.000 0.248 295 T C 1.533 176.223 174.700 -0.018 0.000 1.040 295 T CA 1.006 63.089 62.100 -0.029 0.000 1.133 295 T CB 0.325 69.177 68.868 -0.026 0.000 0.895 295 T HN 0.721 nan 8.240 nan 0.000 0.465 296 G N 1.112 109.897 108.800 -0.024 0.000 2.141 296 G HA2 0.064 4.024 3.960 0.000 0.000 0.195 296 G HA3 0.064 4.024 3.960 0.000 0.000 0.195 296 G C 0.216 175.116 174.900 0.001 0.000 1.012 296 G CA -0.276 44.817 45.100 -0.012 0.000 0.696 296 G HN 0.862 nan 8.290 nan 0.000 0.508 297 G N -1.552 107.243 108.800 -0.009 0.000 3.175 297 G HA2 0.895 4.855 3.960 0.000 0.000 0.255 297 G HA3 0.895 4.855 3.960 0.000 0.000 0.255 297 G C -0.562 174.324 174.900 -0.023 0.000 1.352 297 G CA 0.217 45.318 45.100 0.002 0.000 1.037 297 G HN 0.817 nan 8.290 nan 0.000 0.556 298 T N -0.470 114.073 114.554 -0.019 0.000 2.912 298 T HA 0.397 4.747 4.350 0.000 0.000 0.299 298 T C -0.496 174.194 174.700 -0.017 0.000 1.052 298 T CA -0.400 61.679 62.100 -0.035 0.000 0.996 298 T CB 1.929 70.761 68.868 -0.059 0.000 1.070 298 T HN 0.380 nan 8.240 nan 0.000 0.465 299 V N 3.484 123.383 119.914 -0.026 0.000 2.390 299 V HA 0.115 4.235 4.120 0.000 0.000 0.260 299 V C 0.735 176.850 176.094 0.034 0.000 1.043 299 V CA -0.070 62.225 62.300 -0.008 0.000 1.047 299 V CB -0.738 31.070 31.823 -0.025 0.000 1.066 299 V HN 0.760 nan 8.190 nan 0.000 0.481 300 I N 5.528 126.145 120.570 0.080 0.000 2.501 300 I HA 0.024 4.194 4.170 0.000 0.000 0.305 300 I C 0.941 177.141 176.117 0.138 0.000 1.197 300 I CA 0.414 61.825 61.300 0.184 0.000 1.793 300 I CB -0.321 37.798 38.000 0.199 0.000 1.521 300 I HN 0.714 nan 8.210 nan 0.000 0.843 301 S N 3.307 119.078 115.700 0.119 0.000 2.480 301 S HA 0.284 4.754 4.470 0.000 0.000 0.286 301 S C 0.963 175.622 174.600 0.099 0.000 1.180 301 S CA -0.867 57.380 58.200 0.079 0.000 1.075 301 S CB 1.893 65.120 63.200 0.045 0.000 0.996 301 S HN 0.385 nan 8.310 nan 0.000 0.487 302 E N 2.605 122.841 120.200 0.061 0.000 2.268 302 E HA -0.126 4.224 4.350 0.000 0.000 0.195 302 E C 1.460 178.091 176.600 0.052 0.000 0.995 302 E CA 0.920 57.350 56.400 0.049 0.000 0.836 302 E CB -0.203 29.509 29.700 0.019 0.000 0.763 302 E HN 0.849 nan 8.360 nan 0.000 0.491 303 E N 0.982 121.209 120.200 0.044 0.000 2.021 303 E HA -0.144 4.206 4.350 0.000 0.000 0.200 303 E C 1.536 178.160 176.600 0.040 0.000 1.015 303 E CA 0.859 57.280 56.400 0.035 0.000 0.824 303 E CB -0.239 29.477 29.700 0.027 0.000 0.762 303 E HN 0.222 nan 8.360 nan 0.000 0.454 304 L N 1.310 122.560 121.223 0.046 0.000 2.855 304 L HA 0.107 4.447 4.340 0.000 0.000 0.257 304 L C 0.597 177.512 176.870 0.075 0.000 1.206 304 L CA -0.160 54.705 54.840 0.042 0.000 1.042 304 L CB -1.460 40.612 42.059 0.022 0.000 1.321 304 L HN 0.199 nan 8.230 nan 0.000 0.417 305 G N 1.356 110.205 108.800 0.083 0.000 2.329 305 G HA2 -0.297 3.663 3.960 0.000 0.000 0.204 305 G HA3 -0.297 3.663 3.960 0.000 0.000 0.204 305 G C -0.783 174.246 174.900 0.214 0.000 0.435 305 G CA -0.143 45.020 45.100 0.104 0.000 0.977 305 G HN 0.325 nan 8.290 nan 0.000 0.366 306 F N 2.361 122.307 119.950 -0.007 0.000 2.775 306 F HA 0.440 4.967 4.527 0.000 0.000 0.339 306 F C -0.205 175.590 175.800 -0.008 0.000 1.159 306 F CA -1.335 56.660 58.000 -0.009 0.000 1.145 306 F CB 0.841 39.835 39.000 -0.011 0.000 1.408 306 F HN 0.433 nan 8.300 nan 0.000 0.597 307 K N 5.605 125.621 120.400 -0.639 0.000 2.258 307 K HA 0.362 4.682 4.320 0.000 0.000 0.264 307 K C 0.974 177.073 176.600 -0.835 0.000 1.007 307 K CA -0.488 55.464 56.287 -0.559 0.000 0.941 307 K CB 1.137 33.443 32.500 -0.323 0.000 0.966 307 K HN 0.739 nan 8.250 nan 0.000 0.480 308 L N 2.115 123.077 121.223 -0.434 0.000 2.056 308 L HA -0.201 4.139 4.340 0.000 0.000 0.207 308 L C 2.476 179.199 176.870 -0.245 0.000 1.078 308 L CA 1.119 55.774 54.840 -0.308 0.000 0.749 308 L CB -0.369 41.600 42.059 -0.150 0.000 0.901 308 L HN 0.763 nan 8.230 nan 0.000 0.433 309 E N 0.014 120.094 120.200 -0.200 0.000 2.171 309 E HA -0.248 4.102 4.350 0.000 0.000 0.197 309 E C 0.691 177.219 176.600 -0.119 0.000 0.997 309 E CA 1.314 57.637 56.400 -0.129 0.000 0.810 309 E CB -0.772 28.867 29.700 -0.102 0.000 0.738 309 E HN 0.532 nan 8.360 nan 0.000 0.467 310 N N 1.465 120.046 118.700 -0.198 0.000 2.375 310 N HA 0.197 4.938 4.740 0.000 0.000 0.220 310 N C -0.387 175.193 175.510 0.116 0.000 1.170 310 N CA 0.516 53.524 53.050 -0.071 0.000 0.833 310 N CB 0.539 38.990 38.487 -0.060 0.000 1.069 310 N HN 0.214 nan 8.380 nan 0.000 0.479 311 A N 0.335 123.193 122.820 0.064 0.000 2.274 311 A HA 0.466 4.786 4.320 0.000 0.000 0.309 311 A C 0.455 178.107 177.584 0.115 0.000 1.226 311 A CA -0.360 51.823 52.037 0.242 0.000 0.853 311 A CB 0.566 19.661 19.000 0.158 0.000 1.146 311 A HN 0.062 nan 8.150 nan 0.000 0.518 312 T N 2.572 117.194 114.554 0.112 0.000 2.897 312 T HA 0.201 4.551 4.350 0.000 0.000 0.294 312 T C 1.003 175.686 174.700 -0.028 0.000 1.004 312 T CA -0.202 61.913 62.100 0.025 0.000 1.106 312 T CB 0.730 69.607 68.868 0.016 0.000 0.949 312 T HN 0.578 nan 8.240 nan 0.000 0.520 313 L N 3.530 124.702 121.223 -0.085 0.000 2.869 313 L HA 0.084 4.424 4.340 0.000 0.000 0.259 313 L C 1.396 178.185 176.870 -0.135 0.000 1.162 313 L CA 0.858 55.582 54.840 -0.193 0.000 0.975 313 L CB -1.316 40.591 42.059 -0.255 0.000 1.217 313 L HN 0.775 nan 8.230 nan 0.000 0.418 314 S N -3.512 112.161 115.700 -0.045 0.000 2.684 314 S HA 0.136 4.606 4.470 0.000 0.000 0.268 314 S C 1.325 175.934 174.600 0.015 0.000 1.075 314 S CA -0.199 58.004 58.200 0.006 0.000 1.184 314 S CB -0.273 62.928 63.200 0.001 0.000 1.129 314 S HN 0.371 nan 8.310 nan 0.000 0.630 315 M N 2.419 122.023 119.600 0.006 0.000 2.506 315 M HA 0.315 4.795 4.480 0.000 0.000 0.260 315 M C 0.564 176.879 176.300 0.026 0.000 1.104 315 M CA 0.498 55.798 55.300 0.001 0.000 1.112 315 M CB -0.278 32.327 32.600 0.008 0.000 1.401 315 M HN 0.423 nan 8.290 nan 0.000 0.473 316 L N -0.349 120.904 121.223 0.050 0.000 2.257 316 L HA 0.732 5.072 4.340 0.000 0.000 0.290 316 L C 0.312 177.270 176.870 0.146 0.000 1.044 316 L CA -0.858 54.035 54.840 0.088 0.000 0.810 316 L CB 0.341 42.456 42.059 0.093 0.000 1.193 316 L HN 0.029 nan 8.230 nan 0.000 0.425 317 G N 4.194 113.048 108.800 0.091 0.000 2.590 317 G HA2 0.450 4.411 3.960 0.000 0.000 0.276 317 G HA3 0.450 4.411 3.960 0.000 0.000 0.276 317 G C -0.318 174.634 174.900 0.087 0.000 1.337 317 G CA -0.582 44.563 45.100 0.075 0.000 1.030 317 G HN 1.055 nan 8.290 nan 0.000 0.534 318 R N -2.741 117.762 120.500 0.005 0.000 2.712 318 R HA 0.710 5.050 4.340 0.000 0.000 0.272 318 R C -1.242 175.010 176.300 -0.079 0.000 1.032 318 R CA -0.622 55.428 56.100 -0.084 0.000 0.874 318 R CB 0.977 31.106 30.300 -0.284 0.000 1.256 318 R HN 1.192 nan 8.270 nan 0.000 0.468 319 A N 0.436 123.199 122.820 -0.095 0.000 2.593 319 A HA 0.414 4.734 4.320 0.000 0.000 0.290 319 A C 0.023 177.564 177.584 -0.073 0.000 1.126 319 A CA -0.782 51.220 52.037 -0.059 0.000 0.695 319 A CB 1.768 20.758 19.000 -0.017 0.000 1.290 319 A HN 0.887 nan 8.150 nan 0.000 0.414 320 E N -0.276 119.896 120.200 -0.047 0.000 2.106 320 E HA -0.063 4.287 4.350 0.000 0.000 0.192 320 E C 0.658 177.237 176.600 -0.036 0.000 0.984 320 E CA 0.974 57.347 56.400 -0.045 0.000 0.806 320 E CB 0.208 29.892 29.700 -0.027 0.000 0.750 320 E HN 0.427 nan 8.360 nan 0.000 0.458 321 R N 0.043 120.531 120.500 -0.020 0.000 2.566 321 R HA 0.351 4.691 4.340 0.000 0.000 0.271 321 R C -2.025 174.279 176.300 0.007 0.000 1.071 321 R CA -0.329 55.765 56.100 -0.009 0.000 0.915 321 R CB 2.002 32.300 30.300 -0.004 0.000 1.228 321 R HN -0.137 nan 8.270 nan 0.000 0.449 322 V N 4.317 124.238 119.914 0.013 0.000 2.487 322 V HA 0.508 4.628 4.120 0.000 0.000 0.298 322 V C -0.556 175.558 176.094 0.033 0.000 1.028 322 V CA -0.719 61.600 62.300 0.032 0.000 0.860 322 V CB 1.755 33.601 31.823 0.039 0.000 0.991 322 V HN 0.676 nan 8.190 nan 0.000 0.427 323 R N 5.605 126.125 120.500 0.034 0.000 2.360 323 R HA 0.692 5.032 4.340 0.000 0.000 0.318 323 R C -1.390 174.928 176.300 0.030 0.000 0.950 323 R CA -0.464 55.656 56.100 0.033 0.000 0.837 323 R CB 1.019 31.331 30.300 0.020 0.000 1.165 323 R HN 0.707 nan 8.270 nan 0.000 0.458 324 I N 3.520 124.133 120.570 0.072 0.000 2.378 324 I HA 0.321 4.492 4.170 0.000 0.000 0.291 324 I C -0.018 176.190 176.117 0.152 0.000 0.992 324 I CA -0.685 60.671 61.300 0.094 0.000 1.154 324 I CB 2.197 40.308 38.000 0.183 0.000 1.315 324 I HN 0.559 nan 8.210 nan 0.000 0.448 325 T N 3.923 118.460 114.554 -0.028 0.000 2.949 325 T HA 0.207 4.557 4.350 0.000 0.000 0.287 325 T C 0.916 175.271 174.700 -0.575 0.000 1.034 325 T CA -0.664 61.364 62.100 -0.119 0.000 1.018 325 T CB 2.171 70.977 68.868 -0.103 0.000 1.135 325 T HN 0.604 nan 8.240 nan 0.000 0.532 326 K N 0.318 120.256 120.400 -0.770 0.000 2.362 326 K HA -0.069 4.251 4.320 0.000 0.000 0.200 326 K C 0.389 176.714 176.600 -0.458 0.000 1.046 326 K CA 1.376 57.077 56.287 -0.975 0.000 0.952 326 K CB 0.199 32.390 32.500 -0.516 0.000 0.753 326 K HN 0.421 nan 8.250 nan 0.000 0.466 327 D N -0.580 119.635 120.400 -0.308 0.000 2.479 327 D HA 0.039 4.679 4.640 0.000 0.000 0.216 327 D C -0.316 175.857 176.300 -0.212 0.000 1.110 327 D CA 0.172 54.051 54.000 -0.202 0.000 0.841 327 D CB 0.936 41.658 40.800 -0.129 0.000 1.040 327 D HN 0.225 nan 8.370 nan 0.000 0.505 328 E N 0.268 120.319 120.200 -0.248 0.000 2.352 328 E HA 0.311 4.661 4.350 0.000 0.000 0.280 328 E C -1.478 174.935 176.600 -0.312 0.000 0.930 328 E CA -0.345 55.888 56.400 -0.279 0.000 0.765 328 E CB 2.054 31.643 29.700 -0.185 0.000 1.219 328 E HN -0.277 nan 8.360 nan 0.000 0.434 329 T N 2.336 116.592 114.554 -0.496 0.000 2.797 329 T HA 0.502 4.853 4.350 0.000 0.000 0.279 329 T C -0.975 173.615 174.700 -0.184 0.000 0.991 329 T CA -0.447 61.417 62.100 -0.393 0.000 0.979 329 T CB 1.556 70.019 68.868 -0.673 0.000 0.943 329 T HN 0.370 nan 8.240 nan 0.000 0.444 330 T N 3.490 118.023 114.554 -0.034 0.000 2.848 330 T HA 0.593 4.943 4.350 0.000 0.000 0.285 330 T C -0.327 174.422 174.700 0.082 0.000 0.995 330 T CA -0.564 61.555 62.100 0.031 0.000 0.970 330 T CB 0.889 69.754 68.868 -0.004 0.000 0.976 330 T HN 0.436 nan 8.240 nan 0.000 0.441 331 I N 3.029 123.672 120.570 0.122 0.000 2.390 331 I HA 0.410 4.580 4.170 0.000 0.000 0.283 331 I C -0.622 175.540 176.117 0.074 0.000 1.016 331 I CA -0.938 60.427 61.300 0.108 0.000 1.151 331 I CB 1.473 39.562 38.000 0.149 0.000 1.293 331 I HN 0.274 nan 8.210 nan 0.000 0.458 332 V N 5.028 124.966 119.914 0.041 0.000 2.435 332 V HA 0.655 4.776 4.120 0.000 0.000 0.290 332 V C 0.747 176.848 176.094 0.013 0.000 1.030 332 V CA -0.223 62.091 62.300 0.022 0.000 0.881 332 V CB 1.364 33.191 31.823 0.007 0.000 0.983 332 V HN 1.026 nan 8.190 nan 0.000 0.445 333 G N 3.603 112.410 108.800 0.013 0.000 2.325 333 G HA2 -0.091 3.870 3.960 0.000 0.000 0.248 333 G HA3 -0.091 3.870 3.960 0.000 0.000 0.248 333 G C 0.377 175.277 174.900 0.001 0.000 1.108 333 G CA -0.342 44.760 45.100 0.004 0.000 0.881 333 G HN 1.369 nan 8.290 nan 0.000 0.494 334 G N -0.390 108.418 108.800 0.014 0.000 2.340 334 G HA2 0.441 4.401 3.960 0.000 0.000 0.245 334 G HA3 0.441 4.401 3.960 0.000 0.000 0.245 334 G C 0.598 175.496 174.900 -0.003 0.000 1.294 334 G CA -0.153 44.951 45.100 0.007 0.000 0.896 334 G HN 0.477 nan 8.290 nan 0.000 0.522 335 K N 2.170 122.562 120.400 -0.014 0.000 2.593 335 K HA 0.192 4.512 4.320 0.000 0.000 0.208 335 K C 1.252 177.844 176.600 -0.013 0.000 1.051 335 K CA -0.267 56.010 56.287 -0.015 0.000 1.111 335 K CB 1.019 33.503 32.500 -0.027 0.000 0.849 335 K HN 0.538 nan 8.250 nan 0.000 0.479 336 G N 1.099 109.890 108.800 -0.015 0.000 2.572 336 G HA2 0.098 4.058 3.960 0.000 0.000 0.261 336 G HA3 0.098 4.058 3.960 0.000 0.000 0.261 336 G C -0.561 174.330 174.900 -0.015 0.000 1.197 336 G CA -0.600 44.489 45.100 -0.019 0.000 0.870 336 G HN 0.130 nan 8.290 nan 0.000 0.548 337 K N 0.680 121.070 120.400 -0.017 0.000 2.436 337 K HA 0.014 4.334 4.320 0.000 0.000 0.282 337 K C 1.330 177.922 176.600 -0.014 0.000 1.044 337 K CA -0.127 56.151 56.287 -0.014 0.000 1.028 337 K CB 1.319 33.809 32.500 -0.016 0.000 0.919 337 K HN 0.632 nan 8.250 nan 0.000 0.474 338 K N 3.530 123.925 120.400 -0.008 0.000 2.366 338 K HA -0.263 4.057 4.320 0.000 0.000 0.202 338 K C 0.589 177.183 176.600 -0.009 0.000 1.045 338 K CA 1.704 57.987 56.287 -0.006 0.000 0.934 338 K CB 0.212 32.711 32.500 -0.002 0.000 0.746 338 K HN 0.562 nan 8.250 nan 0.000 0.470 339 E N 0.459 120.652 120.200 -0.012 0.000 2.021 339 E HA -0.140 4.210 4.350 0.000 0.000 0.189 339 E C 1.743 178.332 176.600 -0.019 0.000 0.980 339 E CA 1.139 57.530 56.400 -0.014 0.000 0.803 339 E CB -0.076 29.615 29.700 -0.014 0.000 0.766 339 E HN 0.354 nan 8.360 nan 0.000 0.449 340 D N 1.170 121.556 120.400 -0.024 0.000 2.133 340 D HA -0.188 4.452 4.640 0.000 0.000 0.195 340 D C 2.094 178.372 176.300 -0.036 0.000 0.997 340 D CA 1.049 55.029 54.000 -0.032 0.000 0.840 340 D CB -0.211 40.565 40.800 -0.039 0.000 0.947 340 D HN 0.195 nan 8.370 nan 0.000 0.452 341 I N 1.223 121.774 120.570 -0.031 0.000 2.113 341 I HA -0.250 3.920 4.170 0.000 0.000 0.238 341 I C 2.261 178.368 176.117 -0.018 0.000 1.070 341 I CA 1.263 62.546 61.300 -0.028 0.000 1.332 341 I CB -0.309 37.682 38.000 -0.015 0.000 1.044 341 I HN -0.054 nan 8.210 nan 0.000 0.402 342 E N 0.817 121.011 120.200 -0.011 0.000 2.333 342 E HA -0.189 4.161 4.350 0.000 0.000 0.198 342 E C 2.177 178.771 176.600 -0.011 0.000 1.007 342 E CA 0.947 57.343 56.400 -0.007 0.000 0.845 342 E CB -0.130 29.567 29.700 -0.006 0.000 0.766 342 E HN 0.525 nan 8.360 nan 0.000 0.507 343 A N 1.600 124.410 122.820 -0.017 0.000 1.873 343 A HA -0.175 4.146 4.320 0.000 0.000 0.215 343 A C 2.027 179.598 177.584 -0.020 0.000 1.186 343 A CA 1.041 53.067 52.037 -0.020 0.000 0.616 343 A CB -0.122 18.863 19.000 -0.025 0.000 0.823 343 A HN 0.019 nan 8.150 nan 0.000 0.442 344 R N 0.118 120.602 120.500 -0.027 0.000 2.062 344 R HA -0.005 4.336 4.340 0.000 0.000 0.231 344 R C 2.026 178.320 176.300 -0.011 0.000 1.136 344 R CA 1.439 57.523 56.100 -0.027 0.000 0.948 344 R CB -1.408 28.865 30.300 -0.045 0.000 0.845 344 R HN 0.637 nan 8.270 nan 0.000 0.430 345 I N 1.804 122.371 120.570 -0.004 0.000 2.143 345 I HA -0.373 3.798 4.170 0.000 0.000 0.245 345 I C 1.890 178.009 176.117 0.003 0.000 1.068 345 I CA 1.583 62.886 61.300 0.006 0.000 1.326 345 I CB -0.466 37.540 38.000 0.010 0.000 1.028 345 I HN 0.204 nan 8.210 nan 0.000 0.412 346 N N 0.931 119.630 118.700 -0.002 0.000 2.173 346 N HA -0.076 4.665 4.740 0.000 0.000 0.184 346 N C 1.962 177.470 175.510 -0.004 0.000 1.025 346 N CA 1.592 54.640 53.050 -0.003 0.000 0.852 346 N CB -0.614 37.870 38.487 -0.005 0.000 0.998 346 N HN 0.426 nan 8.380 nan 0.000 0.427 347 G N 1.315 110.111 108.800 -0.007 0.000 2.470 347 G HA2 -0.167 3.793 3.960 0.000 0.000 0.220 347 G HA3 -0.167 3.793 3.960 0.000 0.000 0.220 347 G C 1.572 176.470 174.900 -0.004 0.000 1.121 347 G CA 0.114 45.210 45.100 -0.007 0.000 0.766 347 G HN 0.268 nan 8.290 nan 0.000 0.553 348 I N -0.399 120.170 120.570 -0.002 0.000 2.406 348 I HA -0.006 4.164 4.170 0.000 0.000 0.249 348 I C 2.603 178.721 176.117 0.001 0.000 1.122 348 I CA 0.818 62.118 61.300 0.001 0.000 1.431 348 I CB 0.061 38.065 38.000 0.007 0.000 1.087 348 I HN 0.099 nan 8.210 nan 0.000 0.424 349 K N 0.483 120.884 120.400 0.001 0.000 2.155 349 K HA -0.139 4.182 4.320 0.000 0.000 0.203 349 K C 2.008 178.608 176.600 0.000 0.000 1.052 349 K CA 1.024 57.311 56.287 0.001 0.000 0.948 349 K CB -0.003 32.497 32.500 0.002 0.000 0.728 349 K HN 0.284 nan 8.250 nan 0.000 0.448 350 K N 1.197 121.596 120.400 -0.000 0.000 2.025 350 K HA -0.180 4.140 4.320 0.000 0.000 0.207 350 K C 2.126 178.726 176.600 0.000 0.000 1.049 350 K CA 1.331 57.618 56.287 -0.000 0.000 0.933 350 K CB -0.025 32.474 32.500 -0.002 0.000 0.714 350 K HN 0.201 nan 8.250 nan 0.000 0.438 351 E N 0.963 121.164 120.200 0.000 0.000 2.338 351 E HA -0.166 4.184 4.350 0.000 0.000 0.197 351 E C 1.778 178.379 176.600 0.002 0.000 1.007 351 E CA 0.335 56.736 56.400 0.002 0.000 0.849 351 E CB 0.144 29.845 29.700 0.001 0.000 0.774 351 E HN 0.072 nan 8.360 nan 0.000 0.506 352 L N 1.094 122.317 121.223 0.000 0.000 2.291 352 L HA -0.040 4.300 4.340 0.000 0.000 0.214 352 L C 1.551 178.422 176.870 0.001 0.000 1.120 352 L CA 1.582 56.421 54.840 -0.001 0.000 0.799 352 L CB 0.010 42.068 42.059 -0.002 0.000 0.925 352 L HN 0.085 nan 8.230 nan 0.000 0.446 353 E N -1.851 118.350 120.200 0.002 0.000 2.230 353 E HA -0.066 4.284 4.350 0.000 0.000 0.192 353 E C 1.568 178.171 176.600 0.005 0.000 0.987 353 E CA 1.168 57.570 56.400 0.003 0.000 0.841 353 E CB 0.084 29.786 29.700 0.003 0.000 0.783 353 E HN 0.391 nan 8.360 nan 0.000 0.481 354 T N 0.466 115.023 114.554 0.005 0.000 3.088 354 T HA 0.017 4.367 4.350 0.000 0.000 0.259 354 T C 0.739 175.445 174.700 0.009 0.000 1.122 354 T CA 0.376 62.480 62.100 0.007 0.000 1.095 354 T CB 0.167 69.039 68.868 0.006 0.000 0.930 354 T HN 0.025 nan 8.240 nan 0.000 0.508 355 T N 3.109 117.668 114.554 0.009 0.000 2.907 355 T HA 0.146 4.496 4.350 0.000 0.000 0.298 355 T C 0.834 175.543 174.700 0.015 0.000 1.017 355 T CA -0.411 61.696 62.100 0.012 0.000 1.118 355 T CB 0.805 69.677 68.868 0.007 0.000 0.948 355 T HN 0.399 nan 8.240 nan 0.000 0.531 356 D N 0.009 120.421 120.400 0.021 0.000 2.461 356 D HA -0.007 4.634 4.640 0.000 0.000 0.266 356 D C 0.676 176.995 176.300 0.032 0.000 1.085 356 D CA -0.089 53.925 54.000 0.023 0.000 0.887 356 D CB -0.135 40.677 40.800 0.021 0.000 1.309 356 D HN 0.505 nan 8.370 nan 0.000 0.498 357 S N 1.026 116.752 115.700 0.043 0.000 2.430 357 S HA 0.151 4.621 4.470 0.000 0.000 0.282 357 S C 0.923 175.567 174.600 0.073 0.000 1.186 357 S CA -0.511 57.728 58.200 0.065 0.000 1.060 357 S CB 1.580 64.834 63.200 0.090 0.000 0.966 357 S HN 0.057 nan 8.310 nan 0.000 0.501 358 E N 1.607 121.850 120.200 0.072 0.000 2.208 358 E HA -0.272 4.078 4.350 0.000 0.000 0.202 358 E C 1.124 177.778 176.600 0.089 0.000 1.014 358 E CA 1.829 58.270 56.400 0.067 0.000 0.819 358 E CB -0.357 29.384 29.700 0.067 0.000 0.735 358 E HN 0.940 nan 8.360 nan 0.000 0.469 359 Y N 1.025 121.334 120.300 0.015 0.000 2.163 359 Y HA -0.177 4.373 4.550 0.000 0.000 0.288 359 Y C 2.296 178.210 175.900 0.024 0.000 1.136 359 Y CA 1.329 59.440 58.100 0.018 0.000 1.147 359 Y CB -0.536 37.935 38.460 0.017 0.000 0.987 359 Y HN -0.009 nan 8.280 nan 0.000 0.509 360 A N 0.643 123.426 122.820 -0.063 0.000 1.940 360 A HA -0.203 4.117 4.320 0.000 0.000 0.219 360 A C 2.320 179.817 177.584 -0.145 0.000 1.176 360 A CA 1.807 53.763 52.037 -0.135 0.000 0.631 360 A CB -0.660 18.343 19.000 0.005 0.000 0.814 360 A HN 0.544 nan 8.150 nan 0.000 0.446 361 R N -0.335 120.118 120.500 -0.078 0.000 2.082 361 R HA -0.173 4.167 4.340 0.000 0.000 0.234 361 R C 2.164 178.413 176.300 -0.086 0.000 1.136 361 R CA 1.823 57.889 56.100 -0.057 0.000 0.935 361 R CB -0.465 29.823 30.300 -0.021 0.000 0.842 361 R HN 0.678 nan 8.270 nan 0.000 0.430 362 E N 0.650 120.785 120.200 -0.109 0.000 2.171 362 E HA -0.248 4.102 4.350 0.000 0.000 0.197 362 E C 1.942 178.459 176.600 -0.139 0.000 0.997 362 E CA 1.663 58.001 56.400 -0.104 0.000 0.810 362 E CB -0.034 29.612 29.700 -0.089 0.000 0.738 362 E HN 0.472 nan 8.360 nan 0.000 0.467 363 K N 0.348 120.607 120.400 -0.235 0.000 2.116 363 K HA -0.062 4.258 4.320 0.000 0.000 0.203 363 K C 1.989 178.532 176.600 -0.095 0.000 1.052 363 K CA 0.667 56.836 56.287 -0.196 0.000 0.952 363 K CB -0.132 32.182 32.500 -0.309 0.000 0.729 363 K HN -0.028 nan 8.250 nan 0.000 0.446 364 L N 1.920 123.094 121.223 -0.082 0.000 2.141 364 L HA -0.116 4.225 4.340 0.000 0.000 0.209 364 L C 2.606 179.464 176.870 -0.020 0.000 1.094 364 L CA 1.403 56.223 54.840 -0.034 0.000 0.763 364 L CB -0.503 41.540 42.059 -0.028 0.000 0.908 364 L HN 0.198 nan 8.230 nan 0.000 0.437 365 Q N 0.178 119.958 119.800 -0.034 0.000 2.077 365 Q HA -0.263 4.078 4.340 0.000 0.000 0.206 365 Q C 2.102 178.095 176.000 -0.013 0.000 0.989 365 Q CA 2.124 57.915 55.803 -0.020 0.000 0.853 365 Q CB -0.399 28.323 28.738 -0.027 0.000 0.907 365 Q HN 0.772 nan 8.270 nan 0.000 0.418 366 E N 0.092 120.277 120.200 -0.025 0.000 2.106 366 E HA -0.128 4.222 4.350 0.000 0.000 0.192 366 E C 2.042 178.636 176.600 -0.010 0.000 0.984 366 E CA 0.585 56.970 56.400 -0.025 0.000 0.806 366 E CB -0.270 29.405 29.700 -0.040 0.000 0.750 366 E HN 0.203 nan 8.360 nan 0.000 0.458 367 R N 0.225 120.738 120.500 0.021 0.000 2.075 367 R HA -0.081 4.259 4.340 0.000 0.000 0.232 367 R C 2.478 178.840 176.300 0.103 0.000 1.126 367 R CA 1.196 57.357 56.100 0.102 0.000 0.963 367 R CB -0.435 29.934 30.300 0.116 0.000 0.858 367 R HN 0.180 nan 8.270 nan 0.000 0.435 368 L N 0.735 121.990 121.223 0.053 0.000 2.042 368 L HA -0.131 4.209 4.340 0.000 0.000 0.210 368 L C 2.115 179.013 176.870 0.046 0.000 1.076 368 L CA 2.073 56.939 54.840 0.044 0.000 0.749 368 L CB -0.587 41.486 42.059 0.022 0.000 0.893 368 L HN 0.138 nan 8.230 nan 0.000 0.432 369 A N -1.363 121.477 122.820 0.033 0.000 2.067 369 A HA -0.111 4.209 4.320 0.000 0.000 0.217 369 A C 2.249 179.855 177.584 0.037 0.000 1.156 369 A CA 1.262 53.316 52.037 0.029 0.000 0.683 369 A CB -0.357 18.649 19.000 0.011 0.000 0.808 369 A HN 0.506 nan 8.150 nan 0.000 0.455 370 K N -0.283 120.142 120.400 0.041 0.000 2.021 370 K HA 0.077 4.398 4.320 0.000 0.000 0.205 370 K C 1.793 178.477 176.600 0.141 0.000 1.047 370 K CA 1.137 57.451 56.287 0.046 0.000 0.943 370 K CB -0.338 32.124 32.500 -0.062 0.000 0.725 370 K HN 0.407 nan 8.250 nan 0.000 0.439 371 L N 1.283 122.616 121.223 0.184 0.000 1.976 371 L HA -0.109 4.231 4.340 0.000 0.000 0.209 371 L C 1.460 178.386 176.870 0.094 0.000 1.071 371 L CA 0.668 55.595 54.840 0.145 0.000 0.746 371 L CB -0.590 41.533 42.059 0.105 0.000 0.890 371 L HN 0.134 nan 8.230 nan 0.000 0.432 372 A N -0.706 122.159 122.820 0.075 0.000 2.327 372 A HA 0.413 4.733 4.320 0.000 0.000 0.255 372 A C 1.446 179.077 177.584 0.079 0.000 1.099 372 A CA 0.336 52.411 52.037 0.062 0.000 0.801 372 A CB -0.135 18.892 19.000 0.045 0.000 1.062 372 A HN 0.573 nan 8.150 nan 0.000 0.496 373 G N -0.534 108.321 108.800 0.092 0.000 2.746 373 G HA2 0.007 3.967 3.960 0.000 0.000 0.236 373 G HA3 0.007 3.967 3.960 0.000 0.000 0.236 373 G C 1.877 176.881 174.900 0.173 0.000 1.172 373 G CA 1.586 46.772 45.100 0.144 0.000 0.736 373 G HN 2.962 nan 8.290 nan 0.000 0.519 374 G N -1.722 107.148 108.800 0.115 0.000 2.536 374 G HA2 0.033 3.993 3.960 0.000 0.000 0.277 374 G HA3 0.033 3.993 3.960 0.000 0.000 0.277 374 G C 0.176 175.112 174.900 0.060 0.000 1.155 374 G CA 1.238 46.399 45.100 0.102 0.000 0.960 374 G HN 1.781 nan 8.290 nan 0.000 0.544 375 V N 1.530 121.459 119.914 0.025 0.000 2.454 375 V HA 0.662 4.783 4.120 0.000 0.000 0.267 375 V C 0.703 176.696 176.094 -0.168 0.000 0.993 375 V CA 0.036 62.309 62.300 -0.046 0.000 0.836 375 V CB 0.678 32.495 31.823 -0.010 0.000 1.055 375 V HN 1.950 nan 8.190 nan 0.000 0.452 376 A N 4.464 127.090 122.820 -0.323 0.000 2.537 376 A HA 0.484 4.804 4.320 0.000 0.000 0.260 376 A C -0.047 177.316 177.584 -0.369 0.000 1.082 376 A CA 0.407 52.048 52.037 -0.660 0.000 0.765 376 A CB 0.083 18.645 19.000 -0.731 0.000 1.019 376 A HN 0.626 nan 8.150 nan 0.000 0.507 377 V N 4.373 124.097 119.914 -0.316 0.000 2.581 377 V HA 0.387 4.507 4.120 0.000 0.000 0.303 377 V C 0.118 176.127 176.094 -0.141 0.000 1.041 377 V CA -0.360 61.841 62.300 -0.166 0.000 0.907 377 V CB 1.830 33.597 31.823 -0.094 0.000 0.994 377 V HN 0.717 nan 8.190 nan 0.000 0.442 378 I N 5.005 125.520 120.570 -0.092 0.000 2.503 378 I HA 0.366 4.536 4.170 0.000 0.000 0.277 378 I C 0.113 176.218 176.117 -0.019 0.000 1.078 378 I CA -0.618 60.639 61.300 -0.070 0.000 1.184 378 I CB 0.615 38.563 38.000 -0.086 0.000 1.353 378 I HN 0.463 nan 8.210 nan 0.000 0.490 379 R N 4.165 124.659 120.500 -0.011 0.000 2.458 379 R HA 0.179 4.519 4.340 0.000 0.000 0.303 379 R C -0.474 175.853 176.300 0.044 0.000 1.013 379 R CA -0.166 55.943 56.100 0.016 0.000 1.026 379 R CB 0.715 31.023 30.300 0.012 0.000 0.948 379 R HN 0.245 nan 8.270 nan 0.000 0.417 380 V N 3.148 123.111 119.914 0.081 0.000 2.406 380 V HA 0.293 4.413 4.120 0.000 0.000 0.272 380 V C 1.049 177.208 176.094 0.108 0.000 1.043 380 V CA -0.590 61.799 62.300 0.148 0.000 0.915 380 V CB 1.450 33.397 31.823 0.207 0.000 0.988 380 V HN 0.840 nan 8.190 nan 0.000 0.466 381 G N 3.327 112.196 108.800 0.116 0.000 2.356 381 G HA2 0.711 4.671 3.960 0.000 0.000 0.298 381 G HA3 0.711 4.671 3.960 0.000 0.000 0.298 381 G C -0.172 174.772 174.900 0.073 0.000 1.145 381 G CA 0.409 45.556 45.100 0.077 0.000 0.850 381 G HN 1.077 nan 8.290 nan 0.000 0.487 382 A N 0.989 123.834 122.820 0.041 0.000 2.701 382 A HA 0.939 5.260 4.320 0.000 0.000 0.290 382 A C 0.558 178.151 177.584 0.016 0.000 1.267 382 A CA 0.346 52.397 52.037 0.023 0.000 0.709 382 A CB 0.734 19.738 19.000 0.006 0.000 1.352 382 A HN 1.803 nan 8.150 nan 0.000 0.519 383 A N -1.935 120.888 122.820 0.006 0.000 2.167 383 A HA 0.528 4.848 4.320 0.000 0.000 0.184 383 A C 0.560 178.144 177.584 -0.000 0.000 1.675 383 A CA 1.302 53.342 52.037 0.005 0.000 1.215 383 A CB 0.036 19.039 19.000 0.005 0.000 1.427 383 A HN 0.816 nan 8.150 nan 0.000 0.457 384 T N -0.778 113.772 114.554 -0.005 0.000 2.924 384 T HA 0.350 4.700 4.350 0.000 0.000 0.291 384 T C 0.615 175.308 174.700 -0.012 0.000 1.045 384 T CA -0.215 61.880 62.100 -0.009 0.000 1.015 384 T CB 2.258 71.119 68.868 -0.013 0.000 1.103 384 T HN 0.303 nan 8.240 nan 0.000 0.496 385 E N 0.607 120.800 120.200 -0.012 0.000 2.268 385 E HA -0.118 4.232 4.350 0.000 0.000 0.195 385 E C 1.317 177.905 176.600 -0.021 0.000 0.995 385 E CA 1.160 57.551 56.400 -0.013 0.000 0.836 385 E CB 0.136 29.829 29.700 -0.012 0.000 0.763 385 E HN 0.643 nan 8.360 nan 0.000 0.491 386 T N 0.428 114.968 114.554 -0.023 0.000 2.706 386 T HA -0.166 4.185 4.350 0.000 0.000 0.255 386 T C 1.671 176.347 174.700 -0.039 0.000 1.048 386 T CA 1.176 63.258 62.100 -0.031 0.000 1.153 386 T CB -0.385 68.466 68.868 -0.028 0.000 0.865 386 T HN 0.284 nan 8.240 nan 0.000 0.414 387 E N 0.551 120.730 120.200 -0.036 0.000 2.187 387 E HA -0.212 4.138 4.350 0.000 0.000 0.199 387 E C 2.071 178.635 176.600 -0.060 0.000 1.004 387 E CA 0.941 57.314 56.400 -0.045 0.000 0.813 387 E CB -0.177 29.505 29.700 -0.030 0.000 0.736 387 E HN 0.267 nan 8.360 nan 0.000 0.468 388 L N 1.231 122.428 121.223 -0.043 0.000 2.007 388 L HA -0.138 4.202 4.340 0.000 0.000 0.205 388 L C 2.125 178.962 176.870 -0.055 0.000 1.073 388 L CA 1.890 56.705 54.840 -0.042 0.000 0.744 388 L CB -0.331 41.718 42.059 -0.017 0.000 0.898 388 L HN -0.050 nan 8.230 nan 0.000 0.435 389 K N -0.556 119.819 120.400 -0.042 0.000 2.127 389 K HA -0.265 4.055 4.320 0.000 0.000 0.208 389 K C 2.084 178.655 176.600 -0.049 0.000 1.047 389 K CA 1.767 58.032 56.287 -0.038 0.000 0.927 389 K CB -0.300 32.173 32.500 -0.045 0.000 0.716 389 K HN 0.470 nan 8.250 nan 0.000 0.450 390 E N 1.520 121.673 120.200 -0.078 0.000 2.015 390 E HA -0.177 4.173 4.350 0.000 0.000 0.191 390 E C 1.844 178.337 176.600 -0.178 0.000 0.991 390 E CA 1.349 57.691 56.400 -0.096 0.000 0.802 390 E CB 0.135 29.776 29.700 -0.099 0.000 0.759 390 E HN 0.220 nan 8.360 nan 0.000 0.447 391 K N 0.620 120.840 120.400 -0.301 0.000 2.063 391 K HA -0.206 4.114 4.320 0.000 0.000 0.208 391 K C 2.241 178.482 176.600 -0.599 0.000 1.048 391 K CA 1.446 57.307 56.287 -0.710 0.000 0.928 391 K CB -0.200 31.918 32.500 -0.637 0.000 0.713 391 K HN -0.096 nan 8.250 nan 0.000 0.442 392 K N 1.132 121.404 120.400 -0.212 0.000 2.001 392 K HA -0.252 4.068 4.320 0.000 0.000 0.214 392 K C 2.008 178.604 176.600 -0.007 0.000 1.050 392 K CA 2.054 58.316 56.287 -0.042 0.000 0.934 392 K CB -0.703 31.801 32.500 0.005 0.000 0.718 392 K HN 0.216 nan 8.250 nan 0.000 0.443 393 H N -0.095 118.915 119.070 -0.100 0.000 2.267 393 H HA -0.034 4.523 4.556 0.000 0.000 0.297 393 H C 2.228 177.517 175.328 -0.065 0.000 1.080 393 H CA 2.588 58.596 56.048 -0.066 0.000 1.278 393 H CB -0.165 29.555 29.762 -0.069 0.000 1.365 393 H HN 0.270 nan 8.280 nan 0.000 0.489 394 R N -0.488 119.965 120.500 -0.077 0.000 2.115 394 R HA -0.194 4.146 4.340 0.000 0.000 0.239 394 R C 2.415 178.714 176.300 -0.003 0.000 1.133 394 R CA 2.361 58.393 56.100 -0.112 0.000 0.935 394 R CB -0.616 29.564 30.300 -0.200 0.000 0.853 394 R HN 0.417 nan 8.270 nan 0.000 0.433 395 F N 0.115 120.041 119.950 -0.041 0.000 2.134 395 F HA -0.198 4.329 4.527 0.000 0.000 0.299 395 F C 2.632 178.390 175.800 -0.071 0.000 1.097 395 F CA 0.981 58.954 58.000 -0.046 0.000 1.264 395 F CB -0.228 38.755 39.000 -0.029 0.000 1.001 395 F HN 0.321 nan 8.300 nan 0.000 0.479 396 E N 0.739 120.995 120.200 0.093 0.000 2.051 396 E HA -0.230 4.121 4.350 0.000 0.000 0.192 396 E C 1.693 178.255 176.600 -0.063 0.000 0.991 396 E CA 1.611 58.009 56.400 -0.003 0.000 0.799 396 E CB -0.012 29.663 29.700 -0.042 0.000 0.748 396 E HN 0.297 nan 8.360 nan 0.000 0.449 397 D N 0.195 120.508 120.400 -0.145 0.000 2.084 397 D HA -0.168 4.472 4.640 0.000 0.000 0.194 397 D C 1.904 178.169 176.300 -0.058 0.000 0.990 397 D CA 1.378 55.290 54.000 -0.147 0.000 0.826 397 D CB -0.488 40.177 40.800 -0.225 0.000 0.971 397 D HN 0.280 nan 8.370 nan 0.000 0.453 398 A N 1.035 123.847 122.820 -0.013 0.000 1.958 398 A HA -0.217 4.103 4.320 0.000 0.000 0.221 398 A C 2.165 179.747 177.584 -0.004 0.000 1.178 398 A CA 1.459 53.504 52.037 0.014 0.000 0.642 398 A CB -0.787 18.258 19.000 0.074 0.000 0.816 398 A HN 0.258 nan 8.150 nan 0.000 0.453 399 L N 0.645 121.864 121.223 -0.006 0.000 1.961 399 L HA -0.176 4.164 4.340 0.000 0.000 0.210 399 L C 1.991 178.844 176.870 -0.028 0.000 1.072 399 L CA 2.497 57.323 54.840 -0.022 0.000 0.749 399 L CB -1.000 41.045 42.059 -0.023 0.000 0.889 399 L HN 0.410 nan 8.230 nan 0.000 0.432 400 N N 0.382 119.061 118.700 -0.035 0.000 2.094 400 N HA -0.243 4.497 4.740 0.000 0.000 0.191 400 N C 1.779 177.271 175.510 -0.029 0.000 1.023 400 N CA 1.756 54.785 53.050 -0.035 0.000 0.857 400 N CB -0.573 37.888 38.487 -0.044 0.000 1.013 400 N HN 0.574 nan 8.380 nan 0.000 0.426 401 A N 1.212 124.015 122.820 -0.029 0.000 1.841 401 A HA -0.176 4.144 4.320 0.000 0.000 0.216 401 A C 2.472 180.045 177.584 -0.019 0.000 1.199 401 A CA 2.553 54.576 52.037 -0.023 0.000 0.621 401 A CB -1.372 17.615 19.000 -0.021 0.000 0.835 401 A HN 0.358 nan 8.150 nan 0.000 0.445 402 T N 0.136 114.679 114.554 -0.018 0.000 2.665 402 T HA -0.210 4.140 4.350 0.000 0.000 0.268 402 T C 1.992 176.682 174.700 -0.016 0.000 1.035 402 T CA 1.661 63.751 62.100 -0.017 0.000 1.151 402 T CB -0.364 68.493 68.868 -0.019 0.000 0.862 402 T HN 0.496 nan 8.240 nan 0.000 0.438 403 R N 1.160 121.648 120.500 -0.020 0.000 2.083 403 R HA 0.004 4.344 4.340 0.000 0.000 0.237 403 R C 2.894 179.185 176.300 -0.015 0.000 1.137 403 R CA 1.420 57.509 56.100 -0.018 0.000 0.951 403 R CB -0.670 29.616 30.300 -0.023 0.000 0.851 403 R HN 0.433 nan 8.270 nan 0.000 0.434 404 A N 1.560 124.371 122.820 -0.015 0.000 1.898 404 A HA -0.066 4.254 4.320 0.000 0.000 0.216 404 A C 2.457 180.035 177.584 -0.009 0.000 1.181 404 A CA 1.553 53.583 52.037 -0.012 0.000 0.620 404 A CB -0.617 18.375 19.000 -0.013 0.000 0.819 404 A HN 0.382 nan 8.150 nan 0.000 0.442 405 A N -0.509 122.305 122.820 -0.010 0.000 1.948 405 A HA -0.089 4.232 4.320 0.000 0.000 0.220 405 A C 2.178 179.758 177.584 -0.006 0.000 1.177 405 A CA 2.025 54.057 52.037 -0.008 0.000 0.636 405 A CB -0.881 18.113 19.000 -0.009 0.000 0.815 405 A HN 0.448 nan 8.150 nan 0.000 0.449 406 V N -0.175 119.735 119.914 -0.006 0.000 2.548 406 V HA -0.204 3.916 4.120 0.000 0.000 0.249 406 V C 2.304 178.397 176.094 -0.002 0.000 1.055 406 V CA 1.950 64.248 62.300 -0.004 0.000 1.065 406 V CB -0.742 31.078 31.823 -0.005 0.000 0.681 406 V HN 0.639 nan 8.190 nan 0.000 0.462 407 E N 0.352 120.551 120.200 -0.003 0.000 2.051 407 E HA -0.182 4.168 4.350 0.000 0.000 0.192 407 E C 1.256 177.857 176.600 0.001 0.000 0.991 407 E CA 1.322 57.722 56.400 -0.001 0.000 0.799 407 E CB -0.003 29.696 29.700 -0.001 0.000 0.748 407 E HN 0.638 nan 8.360 nan 0.000 0.449 408 E N -0.368 119.832 120.200 0.000 0.000 2.887 408 E HA 0.245 4.595 4.350 0.000 0.000 0.206 408 E C -0.077 176.524 176.600 0.001 0.000 0.983 408 E CA -0.042 56.358 56.400 0.001 0.000 1.141 408 E CB 1.329 31.030 29.700 0.001 0.000 1.061 408 E HN 0.263 nan 8.360 nan 0.000 0.468 409 G N 1.940 110.741 108.800 0.000 0.000 2.804 409 G HA2 -0.274 3.686 3.960 0.000 0.000 0.230 409 G HA3 -0.274 3.686 3.960 0.000 0.000 0.230 409 G C -0.130 174.770 174.900 -0.001 0.000 1.386 409 G CA -0.104 44.996 45.100 0.001 0.000 0.875 409 G HN 0.314 nan 8.290 nan 0.000 0.557 410 I N -2.490 118.080 120.570 -0.000 0.000 2.892 410 I HA 0.908 5.078 4.170 0.000 0.000 0.306 410 I C 0.333 176.450 176.117 0.000 0.000 1.078 410 I CA -1.312 59.987 61.300 -0.002 0.000 1.032 410 I CB 2.163 40.161 38.000 -0.004 0.000 1.229 410 I HN 1.235 nan 8.210 nan 0.000 0.435 411 V N 0.153 120.067 119.914 -0.001 0.000 3.102 411 V HA 0.700 4.820 4.120 0.000 0.000 0.312 411 V C -2.870 173.223 176.094 -0.002 0.000 1.135 411 V CA -2.634 59.667 62.300 0.002 0.000 1.022 411 V CB 1.310 33.135 31.823 0.004 0.000 1.056 411 V HN 0.629 nan 8.190 nan 0.000 0.436 412 P HA 0.258 nan 4.420 nan 0.000 0.264 412 P C 0.371 177.662 177.300 -0.015 0.000 1.193 412 P CA 0.983 64.079 63.100 -0.006 0.000 0.763 412 P CB 0.453 32.155 31.700 0.004 0.000 0.810 413 G N 1.856 110.639 108.800 -0.028 0.000 2.509 413 G HA2 0.442 4.402 3.960 0.000 0.000 0.269 413 G HA3 0.442 4.402 3.960 0.000 0.000 0.269 413 G C 0.586 175.460 174.900 -0.044 0.000 1.416 413 G CA -0.403 44.677 45.100 -0.034 0.000 1.052 413 G HN 0.778 nan 8.290 nan 0.000 0.542 414 G N -2.016 106.754 108.800 -0.049 0.000 2.249 414 G HA2 0.213 4.173 3.960 0.000 0.000 0.273 414 G HA3 0.213 4.173 3.960 0.000 0.000 0.273 414 G C 1.550 176.431 174.900 -0.031 0.000 1.036 414 G CA 1.150 46.217 45.100 -0.056 0.000 0.824 414 G HN 2.465 nan 8.290 nan 0.000 0.504 415 G N -2.471 106.318 108.800 -0.019 0.000 2.302 415 G HA2 -0.308 3.652 3.960 0.000 0.000 0.263 415 G HA3 -0.308 3.652 3.960 0.000 0.000 0.263 415 G C 1.618 176.519 174.900 0.002 0.000 0.995 415 G CA 1.422 46.519 45.100 -0.006 0.000 0.622 415 G HN 1.534 nan 8.290 nan 0.000 0.538 416 V N 0.858 120.771 119.914 -0.003 0.000 2.370 416 V HA -0.269 3.851 4.120 0.000 0.000 0.252 416 V C 2.945 179.052 176.094 0.021 0.000 1.068 416 V CA 3.178 65.485 62.300 0.012 0.000 1.061 416 V CB -1.054 30.770 31.823 0.001 0.000 0.656 416 V HN 0.587 nan 8.190 nan 0.000 0.455 417 T N -0.026 114.536 114.554 0.012 0.000 2.777 417 T HA -0.091 4.259 4.350 0.000 0.000 0.266 417 T C 1.877 176.587 174.700 0.017 0.000 1.040 417 T CA 1.384 63.494 62.100 0.016 0.000 1.141 417 T CB -0.273 68.601 68.868 0.009 0.000 0.868 417 T HN 0.319 nan 8.240 nan 0.000 0.444 418 L N 0.476 121.707 121.223 0.013 0.000 2.127 418 L HA -0.067 4.273 4.340 0.000 0.000 0.211 418 L C 2.402 179.283 176.870 0.019 0.000 1.089 418 L CA 1.041 55.889 54.840 0.014 0.000 0.757 418 L CB -0.526 41.539 42.059 0.010 0.000 0.899 418 L HN 0.289 nan 8.230 nan 0.000 0.434 419 L N -0.921 120.316 121.223 0.024 0.000 2.056 419 L HA -0.165 4.175 4.340 0.000 0.000 0.207 419 L C 2.685 179.576 176.870 0.035 0.000 1.078 419 L CA 0.844 55.703 54.840 0.032 0.000 0.749 419 L CB -0.542 41.542 42.059 0.042 0.000 0.901 419 L HN 0.230 nan 8.230 nan 0.000 0.433 420 R N 0.327 120.850 120.500 0.038 0.000 2.241 420 R HA -0.060 4.280 4.340 0.000 0.000 0.224 420 R C 2.061 178.378 176.300 0.028 0.000 1.101 420 R CA 1.097 57.220 56.100 0.038 0.000 0.995 420 R CB -0.812 29.512 30.300 0.040 0.000 0.870 420 R HN 0.347 nan 8.270 nan 0.000 0.463 421 A N 0.857 123.691 122.820 0.023 0.000 2.016 421 A HA -0.000 4.320 4.320 0.000 0.000 0.217 421 A C 2.184 179.779 177.584 0.018 0.000 1.162 421 A CA 0.411 52.459 52.037 0.018 0.000 0.662 421 A CB -0.284 18.725 19.000 0.015 0.000 0.812 421 A HN 0.155 nan 8.150 nan 0.000 0.450 422 I N 0.767 121.349 120.570 0.020 0.000 2.118 422 I HA -0.340 3.830 4.170 0.000 0.000 0.241 422 I C 2.735 178.862 176.117 0.017 0.000 1.070 422 I CA 1.758 63.069 61.300 0.018 0.000 1.327 422 I CB -0.554 37.459 38.000 0.021 0.000 1.034 422 I HN 0.358 nan 8.210 nan 0.000 0.405 423 S N 1.373 117.084 115.700 0.019 0.000 2.380 423 S HA -0.283 4.187 4.470 0.000 0.000 0.229 423 S C 2.247 176.855 174.600 0.014 0.000 1.043 423 S CA 1.412 59.621 58.200 0.017 0.000 1.038 423 S CB -0.798 62.413 63.200 0.019 0.000 0.872 423 S HN 0.570 nan 8.310 nan 0.000 0.456 424 A N 1.436 124.265 122.820 0.014 0.000 1.933 424 A HA 0.004 4.324 4.320 0.000 0.000 0.218 424 A C 2.411 180.001 177.584 0.010 0.000 1.175 424 A CA 1.651 53.695 52.037 0.012 0.000 0.628 424 A CB -0.957 18.050 19.000 0.012 0.000 0.814 424 A HN 0.404 nan 8.150 nan 0.000 0.444 425 V N 0.231 120.152 119.914 0.011 0.000 2.358 425 V HA -0.203 3.917 4.120 0.000 0.000 0.246 425 V C 2.437 178.536 176.094 0.009 0.000 1.047 425 V CA 1.877 64.182 62.300 0.009 0.000 1.035 425 V CB -0.857 30.972 31.823 0.010 0.000 0.658 425 V HN 0.508 nan 8.190 nan 0.000 0.452 426 E N 0.239 120.445 120.200 0.010 0.000 2.033 426 E HA -0.237 4.113 4.350 0.000 0.000 0.199 426 E C 2.292 178.897 176.600 0.008 0.000 1.011 426 E CA 1.397 57.802 56.400 0.009 0.000 0.815 426 E CB -0.348 29.358 29.700 0.010 0.000 0.755 426 E HN 0.591 nan 8.360 nan 0.000 0.451 427 E N 0.736 120.941 120.200 0.008 0.000 2.130 427 E HA -0.202 4.148 4.350 0.000 0.000 0.196 427 E C 2.243 178.846 176.600 0.006 0.000 0.998 427 E CA 0.635 57.039 56.400 0.007 0.000 0.806 427 E CB -0.383 29.321 29.700 0.007 0.000 0.738 427 E HN 0.157 nan 8.360 nan 0.000 0.459 428 L N 0.948 122.175 121.223 0.006 0.000 2.027 428 L HA -0.113 4.227 4.340 0.000 0.000 0.206 428 L C 2.263 179.136 176.870 0.005 0.000 1.074 428 L CA 1.401 56.244 54.840 0.006 0.000 0.745 428 L CB -0.543 41.520 42.059 0.006 0.000 0.898 428 L HN 0.032 nan 8.230 nan 0.000 0.433 429 I N -0.170 120.403 120.570 0.006 0.000 2.194 429 I HA -0.378 3.792 4.170 0.000 0.000 0.246 429 I C 2.345 178.465 176.117 0.005 0.000 1.093 429 I CA 1.719 63.022 61.300 0.005 0.000 1.355 429 I CB -0.567 37.437 38.000 0.006 0.000 1.046 429 I HN 0.296 nan 8.210 nan 0.000 0.413 430 K N 0.924 121.327 120.400 0.005 0.000 2.360 430 K HA -0.172 4.148 4.320 0.000 0.000 0.201 430 K C 1.486 178.088 176.600 0.004 0.000 1.046 430 K CA 1.157 57.446 56.287 0.004 0.000 0.940 430 K CB -0.107 32.396 32.500 0.004 0.000 0.748 430 K HN 0.416 nan 8.250 nan 0.000 0.465 431 K N 0.032 120.435 120.400 0.004 0.000 2.358 431 K HA 0.207 4.527 4.320 0.000 0.000 0.200 431 K C 0.079 176.681 176.600 0.003 0.000 1.030 431 K CA -0.050 56.239 56.287 0.004 0.000 1.097 431 K CB 0.541 33.043 32.500 0.004 0.000 0.862 431 K HN -0.015 nan 8.250 nan 0.000 0.534 432 L N 0.698 121.923 121.223 0.004 0.000 2.322 432 L HA 0.454 4.794 4.340 0.000 0.000 0.269 432 L C -0.420 176.453 176.870 0.004 0.000 1.012 432 L CA -0.763 54.079 54.840 0.004 0.000 0.815 432 L CB 1.881 43.942 42.059 0.004 0.000 1.295 432 L HN 0.047 nan 8.230 nan 0.000 0.438 433 E N 0.005 120.207 120.200 0.003 0.000 2.433 433 E HA 0.568 4.918 4.350 0.000 0.000 0.278 433 E C -0.362 176.240 176.600 0.003 0.000 0.976 433 E CA 0.042 56.444 56.400 0.003 0.000 0.793 433 E CB 2.247 31.949 29.700 0.003 0.000 1.311 433 E HN 0.743 nan 8.360 nan 0.000 0.460 434 G N 2.319 111.121 108.800 0.003 0.000 2.593 434 G HA2 -0.275 3.685 3.960 0.000 0.000 0.237 434 G HA3 -0.275 3.685 3.960 0.000 0.000 0.237 434 G C 0.304 175.206 174.900 0.004 0.000 1.312 434 G CA 0.210 45.312 45.100 0.004 0.000 0.896 434 G HN 0.678 nan 8.290 nan 0.000 0.574 435 D N 0.144 120.547 120.400 0.004 0.000 2.218 435 D HA -0.040 4.600 4.640 0.000 0.000 0.204 435 D C 2.060 178.363 176.300 0.005 0.000 0.976 435 D CA 1.435 55.438 54.000 0.005 0.000 0.853 435 D CB -0.088 40.715 40.800 0.005 0.000 0.939 435 D HN 0.627 nan 8.370 nan 0.000 0.481 436 E N 0.654 120.856 120.200 0.004 0.000 2.077 436 E HA -0.154 4.196 4.350 0.000 0.000 0.193 436 E C 2.032 178.635 176.600 0.005 0.000 0.989 436 E CA 1.082 57.484 56.400 0.004 0.000 0.800 436 E CB 0.051 29.753 29.700 0.004 0.000 0.746 436 E HN 0.166 nan 8.360 nan 0.000 0.452 437 A N 0.044 122.866 122.820 0.004 0.000 1.933 437 A HA -0.173 4.147 4.320 0.000 0.000 0.218 437 A C 2.349 179.936 177.584 0.005 0.000 1.175 437 A CA 1.943 53.983 52.037 0.005 0.000 0.628 437 A CB -0.901 18.102 19.000 0.004 0.000 0.814 437 A HN 0.319 nan 8.150 nan 0.000 0.444 438 T N -0.117 114.440 114.554 0.005 0.000 2.684 438 T HA -0.082 4.268 4.350 0.000 0.000 0.267 438 T C 1.994 176.697 174.700 0.006 0.000 1.036 438 T CA 1.566 63.669 62.100 0.005 0.000 1.148 438 T CB -0.732 68.139 68.868 0.005 0.000 0.863 438 T HN 0.600 nan 8.240 nan 0.000 0.436 439 G N 1.321 110.124 108.800 0.005 0.000 2.491 439 G HA2 -0.135 3.826 3.960 0.000 0.000 0.218 439 G HA3 -0.135 3.826 3.960 0.000 0.000 0.218 439 G C 1.873 176.777 174.900 0.006 0.000 1.180 439 G CA 1.078 46.182 45.100 0.006 0.000 0.774 439 G HN 0.593 nan 8.290 nan 0.000 0.562 440 A N 0.857 123.680 122.820 0.006 0.000 1.917 440 A HA -0.120 4.200 4.320 0.000 0.000 0.219 440 A C 2.316 179.904 177.584 0.007 0.000 1.182 440 A CA 2.193 54.234 52.037 0.006 0.000 0.633 440 A CB -0.423 18.581 19.000 0.006 0.000 0.819 440 A HN 0.430 nan 8.150 nan 0.000 0.448 441 K N -0.581 119.823 120.400 0.006 0.000 2.147 441 K HA -0.026 4.294 4.320 0.000 0.000 0.205 441 K C 1.798 178.402 176.600 0.007 0.000 1.049 441 K CA 1.340 57.631 56.287 0.007 0.000 0.936 441 K CB -0.343 32.161 32.500 0.006 0.000 0.722 441 K HN 0.563 nan 8.250 nan 0.000 0.446 442 I N 0.641 121.215 120.570 0.007 0.000 2.179 442 I HA -0.283 3.887 4.170 0.000 0.000 0.242 442 I C 2.244 178.365 176.117 0.007 0.000 1.088 442 I CA 1.140 62.444 61.300 0.007 0.000 1.357 442 I CB -0.348 37.656 38.000 0.006 0.000 1.051 442 I HN -0.064 nan 8.210 nan 0.000 0.409 443 V N 0.973 120.891 119.914 0.007 0.000 2.287 443 V HA -0.314 3.806 4.120 0.000 0.000 0.248 443 V C 2.660 178.759 176.094 0.008 0.000 1.053 443 V CA 2.101 64.405 62.300 0.007 0.000 1.027 443 V CB -0.827 31.000 31.823 0.007 0.000 0.646 443 V HN 0.443 nan 8.190 nan 0.000 0.447 444 R N 0.153 120.658 120.500 0.009 0.000 2.117 444 R HA -0.263 4.077 4.340 0.000 0.000 0.243 444 R C 2.418 178.725 176.300 0.011 0.000 1.143 444 R CA 2.136 58.242 56.100 0.010 0.000 0.968 444 R CB -0.226 30.080 30.300 0.010 0.000 0.863 444 R HN 0.392 nan 8.270 nan 0.000 0.444 445 R N 0.640 121.145 120.500 0.009 0.000 2.073 445 R HA 0.053 4.394 4.340 0.000 0.000 0.229 445 R C 1.972 178.277 176.300 0.009 0.000 1.120 445 R CA 1.834 57.940 56.100 0.009 0.000 0.967 445 R CB -0.884 29.421 30.300 0.008 0.000 0.862 445 R HN 0.289 nan 8.270 nan 0.000 0.436 446 A N 1.221 124.046 122.820 0.009 0.000 1.873 446 A HA -0.148 4.172 4.320 0.000 0.000 0.218 446 A C 2.269 179.859 177.584 0.009 0.000 1.193 446 A CA 1.838 53.880 52.037 0.008 0.000 0.629 446 A CB -0.951 18.053 19.000 0.007 0.000 0.826 446 A HN 0.387 nan 8.150 nan 0.000 0.447 447 L N -0.644 120.585 121.223 0.010 0.000 2.283 447 L HA -0.292 4.048 4.340 0.000 0.000 0.217 447 L C 2.392 179.269 176.870 0.013 0.000 1.104 447 L CA 1.781 56.628 54.840 0.011 0.000 0.772 447 L CB -0.641 41.426 42.059 0.013 0.000 0.899 447 L HN 0.536 nan 8.230 nan 0.000 0.439 448 E N -0.867 119.341 120.200 0.013 0.000 2.230 448 E HA -0.129 4.221 4.350 0.000 0.000 0.192 448 E C 2.006 178.613 176.600 0.011 0.000 0.987 448 E CA 0.144 56.553 56.400 0.014 0.000 0.841 448 E CB 0.118 29.826 29.700 0.014 0.000 0.783 448 E HN 0.390 nan 8.360 nan 0.000 0.481 449 E N 0.604 120.809 120.200 0.009 0.000 2.033 449 E HA -0.168 4.182 4.350 0.000 0.000 0.199 449 E C -0.673 175.932 176.600 0.008 0.000 1.011 449 E CA 1.399 57.804 56.400 0.008 0.000 0.815 449 E CB -1.682 28.023 29.700 0.008 0.000 0.755 449 E HN 0.222 nan 8.360 nan 0.000 0.451 450 P HA -0.222 nan 4.420 nan 0.000 0.213 450 P C 1.404 178.707 177.300 0.004 0.000 1.176 450 P CA 2.585 65.688 63.100 0.004 0.000 0.919 450 P CB -0.271 31.430 31.700 0.003 0.000 0.791 451 A N -0.560 122.263 122.820 0.005 0.000 1.884 451 A HA -0.310 4.010 4.320 0.000 0.000 0.219 451 A C 2.410 179.997 177.584 0.005 0.000 1.197 451 A CA 2.323 54.363 52.037 0.005 0.000 0.637 451 A CB -1.409 17.597 19.000 0.010 0.000 0.827 451 A HN 0.026 nan 8.150 nan 0.000 0.450 452 R N -1.264 119.239 120.500 0.004 0.000 2.080 452 R HA -0.232 4.108 4.340 0.000 0.000 0.236 452 R C 2.529 178.836 176.300 0.011 0.000 1.137 452 R CA 2.039 58.140 56.100 0.003 0.000 0.943 452 R CB -0.323 29.981 30.300 0.006 0.000 0.846 452 R HN 0.591 nan 8.270 nan 0.000 0.431 453 Q N 0.720 120.527 119.800 0.013 0.000 2.096 453 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 453 Q C 1.865 177.878 176.000 0.022 0.000 0.982 453 Q CA 1.832 57.645 55.803 0.017 0.000 0.850 453 Q CB -0.228 28.517 28.738 0.012 0.000 0.901 453 Q HN 0.452 nan 8.270 nan 0.000 0.422 454 I N -0.161 120.419 120.570 0.016 0.000 2.076 454 I HA -0.330 3.841 4.170 0.000 0.000 0.237 454 I C 2.250 178.388 176.117 0.036 0.000 1.059 454 I CA 1.165 62.474 61.300 0.015 0.000 1.317 454 I CB -0.716 37.283 38.000 -0.000 0.000 1.037 454 I HN 0.312 nan 8.210 nan 0.000 0.398 455 A N 0.225 123.071 122.820 0.044 0.000 1.917 455 A HA -0.321 3.999 4.320 0.000 0.000 0.219 455 A C 2.187 179.848 177.584 0.129 0.000 1.182 455 A CA 2.392 54.468 52.037 0.065 0.000 0.633 455 A CB -0.746 18.227 19.000 -0.046 0.000 0.819 455 A HN 0.468 nan 8.150 nan 0.000 0.448 456 E N 0.249 120.500 120.200 0.085 0.000 2.031 456 E HA -0.177 4.173 4.350 0.000 0.000 0.193 456 E C 1.924 178.583 176.600 0.098 0.000 0.994 456 E CA 1.600 58.053 56.400 0.088 0.000 0.800 456 E CB -0.181 29.549 29.700 0.049 0.000 0.752 456 E HN 0.606 nan 8.360 nan 0.000 0.447 457 N N 0.040 118.785 118.700 0.074 0.000 2.149 457 N HA -0.163 4.578 4.740 0.000 0.000 0.188 457 N C 1.425 176.993 175.510 0.096 0.000 1.019 457 N CA 1.318 54.407 53.050 0.064 0.000 0.857 457 N CB -0.367 38.144 38.487 0.040 0.000 0.997 457 N HN 0.236 nan 8.380 nan 0.000 0.426 458 A N 0.095 122.998 122.820 0.138 0.000 2.209 458 A HA 0.288 4.608 4.320 0.000 0.000 0.212 458 A C 1.325 179.143 177.584 0.390 0.000 1.158 458 A CA 0.981 53.148 52.037 0.216 0.000 0.742 458 A CB -0.430 18.652 19.000 0.136 0.000 0.790 458 A HN 0.359 nan 8.150 nan 0.000 0.472 459 G N -2.341 106.640 108.800 0.301 0.000 2.203 459 G HA2 -0.198 3.762 3.960 0.000 0.000 0.231 459 G HA3 -0.198 3.762 3.960 0.000 0.000 0.231 459 G C -0.364 174.578 174.900 0.069 0.000 1.058 459 G CA 0.206 45.401 45.100 0.159 0.000 0.781 459 G HN 0.421 nan 8.290 nan 0.000 0.496 460 Y N -0.777 119.544 120.300 0.034 0.000 2.634 460 Y HA 0.573 5.123 4.550 0.000 0.000 0.340 460 Y C 0.588 176.470 175.900 -0.031 0.000 1.058 460 Y CA -1.615 56.488 58.100 0.004 0.000 1.081 460 Y CB 1.066 39.517 38.460 -0.014 0.000 1.295 460 Y HN 0.142 nan 8.280 nan 0.000 0.487 461 E N 0.978 121.236 120.200 0.097 0.000 2.029 461 E HA 0.138 4.488 4.350 0.000 0.000 0.276 461 E C 0.781 177.388 176.600 0.012 0.000 1.163 461 E CA 0.114 56.536 56.400 0.037 0.000 0.909 461 E CB 0.694 30.404 29.700 0.016 0.000 1.046 461 E HN 0.963 nan 8.360 nan 0.000 0.406 462 G N 3.093 111.903 108.800 0.017 0.000 2.628 462 G HA2 -0.421 3.539 3.960 0.000 0.000 0.217 462 G HA3 -0.421 3.539 3.960 0.000 0.000 0.217 462 G C 1.644 176.535 174.900 -0.015 0.000 1.240 462 G CA 1.307 46.403 45.100 -0.005 0.000 0.792 462 G HN 0.585 nan 8.290 nan 0.000 0.593 463 S N 0.222 115.921 115.700 -0.001 0.000 2.392 463 S HA -0.180 4.290 4.470 0.000 0.000 0.232 463 S C 2.281 176.882 174.600 0.003 0.000 1.041 463 S CA 1.822 60.023 58.200 0.003 0.000 1.026 463 S CB -0.732 62.471 63.200 0.006 0.000 0.845 463 S HN 0.180 nan 8.310 nan 0.000 0.465 464 V N 2.212 122.125 119.914 -0.001 0.000 2.261 464 V HA -0.127 3.993 4.120 0.000 0.000 0.246 464 V C 2.492 178.592 176.094 0.010 0.000 1.047 464 V CA 1.950 64.252 62.300 0.004 0.000 1.015 464 V CB -0.755 31.072 31.823 0.005 0.000 0.642 464 V HN 0.475 nan 8.190 nan 0.000 0.446 465 I N -0.082 120.466 120.570 -0.036 0.000 2.179 465 I HA -0.219 3.951 4.170 0.000 0.000 0.242 465 I C 2.356 178.500 176.117 0.045 0.000 1.088 465 I CA 1.346 62.614 61.300 -0.053 0.000 1.357 465 I CB -0.417 37.308 38.000 -0.458 0.000 1.051 465 I HN 0.151 nan 8.210 nan 0.000 0.409 466 V N 0.276 120.194 119.914 0.007 0.000 2.453 466 V HA -0.313 3.807 4.120 0.000 0.000 0.252 466 V C 2.373 178.507 176.094 0.067 0.000 1.068 466 V CA 1.793 64.116 62.300 0.039 0.000 1.070 466 V CB -0.747 31.088 31.823 0.020 0.000 0.664 466 V HN 0.436 nan 8.190 nan 0.000 0.461 467 Q N 0.328 120.161 119.800 0.055 0.000 2.020 467 Q HA -0.148 4.192 4.340 0.000 0.000 0.198 467 Q C 2.308 178.349 176.000 0.070 0.000 0.974 467 Q CA 1.691 57.524 55.803 0.050 0.000 0.829 467 Q CB -0.422 28.331 28.738 0.026 0.000 0.894 467 Q HN 0.702 nan 8.270 nan 0.000 0.433 468 Q N -0.396 119.450 119.800 0.077 0.000 2.234 468 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 468 Q C 2.007 178.124 176.000 0.196 0.000 0.980 468 Q CA 1.239 57.068 55.803 0.044 0.000 0.869 468 Q CB -0.107 28.563 28.738 -0.112 0.000 0.912 468 Q HN 0.443 nan 8.270 nan 0.000 0.436 469 I N 0.201 120.957 120.570 0.309 0.000 2.277 469 I HA -0.232 3.938 4.170 0.000 0.000 0.243 469 I C 2.004 178.275 176.117 0.257 0.000 1.094 469 I CA 0.872 62.399 61.300 0.378 0.000 1.393 469 I CB -0.135 38.022 38.000 0.261 0.000 1.078 469 I HN 0.168 nan 8.210 nan 0.000 0.417 470 L N 0.702 122.016 121.223 0.153 0.000 2.353 470 L HA -0.150 4.190 4.340 0.000 0.000 0.220 470 L C 2.727 179.642 176.870 0.075 0.000 1.133 470 L CA 0.783 55.683 54.840 0.100 0.000 0.798 470 L CB -0.618 41.481 42.059 0.066 0.000 0.922 470 L HN 0.235 nan 8.230 nan 0.000 0.445 471 A N -0.292 122.571 122.820 0.071 0.000 1.873 471 A HA -0.169 4.151 4.320 0.000 0.000 0.215 471 A C 1.285 178.863 177.584 -0.011 0.000 1.186 471 A CA 0.689 52.736 52.037 0.018 0.000 0.616 471 A CB -0.290 18.707 19.000 -0.006 0.000 0.823 471 A HN 0.297 nan 8.150 nan 0.000 0.442 472 E N 0.212 120.406 120.200 -0.010 0.000 2.265 472 E HA 0.267 4.617 4.350 0.000 0.000 0.272 472 E C 0.421 177.010 176.600 -0.017 0.000 1.067 472 E CA 0.596 56.928 56.400 -0.113 0.000 0.900 472 E CB 0.538 30.027 29.700 -0.351 0.000 1.017 472 E HN 0.265 nan 8.360 nan 0.000 0.431 473 T N 4.028 118.561 114.554 -0.035 0.000 2.990 473 T HA 0.085 4.435 4.350 0.000 0.000 0.249 473 T C 1.225 175.921 174.700 -0.006 0.000 1.039 473 T CA -0.079 62.019 62.100 -0.004 0.000 1.036 473 T CB 0.154 69.018 68.868 -0.007 0.000 0.994 473 T HN 0.296 nan 8.240 nan 0.000 0.489 474 K N 1.816 122.196 120.400 -0.033 0.000 1.971 474 K HA -0.057 4.263 4.320 0.000 0.000 0.221 474 K C 1.015 177.617 176.600 0.003 0.000 1.050 474 K CA 1.087 57.359 56.287 -0.024 0.000 0.967 474 K CB -0.086 32.384 32.500 -0.050 0.000 0.733 474 K HN 0.116 nan 8.250 nan 0.000 0.445 475 N N 0.698 119.407 118.700 0.014 0.000 2.457 475 N HA 0.077 4.817 4.740 0.000 0.000 0.250 475 N C -2.118 173.456 175.510 0.108 0.000 0.982 475 N CA -2.080 51.006 53.050 0.060 0.000 0.941 475 N CB 1.384 39.918 38.487 0.078 0.000 1.120 475 N HN -0.054 nan 8.380 nan 0.000 0.505 476 P HA -0.103 nan 4.420 nan 0.000 0.222 476 P C 0.428 177.794 177.300 0.110 0.000 1.147 476 P CA 0.921 64.077 63.100 0.093 0.000 0.790 476 P CB 0.418 32.154 31.700 0.060 0.000 0.780 477 R N -1.798 118.767 120.500 0.107 0.000 2.323 477 R HA 0.004 4.344 4.340 0.000 0.000 0.198 477 R C 0.713 177.088 176.300 0.126 0.000 0.988 477 R CA -0.220 55.934 56.100 0.090 0.000 1.041 477 R CB -0.680 29.660 30.300 0.067 0.000 0.926 477 R HN 0.219 nan 8.270 nan 0.000 0.476 478 Y N 1.060 121.397 120.300 0.061 0.000 2.544 478 Y HA 0.261 4.812 4.550 0.000 0.000 0.330 478 Y C 0.574 176.549 175.900 0.126 0.000 1.136 478 Y CA 0.407 58.566 58.100 0.099 0.000 1.417 478 Y CB 0.585 39.108 38.460 0.105 0.000 1.229 478 Y HN 0.062 nan 8.280 nan 0.000 0.532 479 G N 4.735 113.287 108.800 -0.414 0.000 2.663 479 G HA2 0.362 4.323 3.960 0.000 0.000 0.299 479 G HA3 0.362 4.323 3.960 0.000 0.000 0.299 479 G C -2.290 172.367 174.900 -0.405 0.000 1.372 479 G CA -1.006 43.928 45.100 -0.276 0.000 0.781 479 G HN 0.590 nan 8.290 nan 0.000 0.491 480 F N 1.171 120.778 119.950 -0.573 0.000 2.444 480 F HA 0.575 5.102 4.527 0.000 0.000 0.342 480 F C -0.077 175.405 175.800 -0.530 0.000 1.121 480 F CA -1.054 56.420 58.000 -0.876 0.000 0.997 480 F CB 1.844 40.213 39.000 -1.052 0.000 1.130 480 F HN 0.365 nan 8.300 nan 0.000 0.454 481 N N 5.121 123.181 118.700 -1.066 0.000 2.602 481 N HA 0.249 4.990 4.740 0.000 0.000 0.238 481 N C 0.662 175.474 175.510 -1.164 0.000 1.084 481 N CA 0.276 52.843 53.050 -0.806 0.000 0.952 481 N CB 1.185 39.370 38.487 -0.504 0.000 1.244 481 N HN 0.745 nan 8.380 nan 0.000 0.512 482 A N 3.112 125.339 122.820 -0.988 0.000 2.139 482 A HA -0.125 4.195 4.320 0.000 0.000 0.221 482 A C 2.065 179.355 177.584 -0.490 0.000 1.159 482 A CA 1.809 53.376 52.037 -0.783 0.000 0.662 482 A CB -0.681 18.142 19.000 -0.295 0.000 0.796 482 A HN 0.712 nan 8.150 nan 0.000 0.463 483 A N -0.458 122.131 122.820 -0.384 0.000 1.840 483 A HA -0.041 4.279 4.320 0.000 0.000 0.214 483 A C 2.376 179.849 177.584 -0.186 0.000 1.198 483 A CA 2.261 54.168 52.037 -0.217 0.000 0.608 483 A CB -1.097 17.799 19.000 -0.172 0.000 0.839 483 A HN 0.826 nan 8.150 nan 0.000 0.443 484 T N -4.212 110.196 114.554 -0.243 0.000 3.081 484 T HA 0.397 4.747 4.350 0.000 0.000 0.250 484 T C 1.224 175.836 174.700 -0.147 0.000 1.100 484 T CA 1.071 63.078 62.100 -0.154 0.000 1.038 484 T CB -0.071 68.717 68.868 -0.134 0.000 0.962 484 T HN 1.816 nan 8.240 nan 0.000 0.516 485 G N 1.186 109.766 108.800 -0.366 0.000 2.272 485 G HA2 -0.177 3.783 3.960 0.000 0.000 0.280 485 G HA3 -0.177 3.783 3.960 0.000 0.000 0.280 485 G C -0.427 174.423 174.900 -0.083 0.000 1.067 485 G CA 0.112 45.062 45.100 -0.250 0.000 0.902 485 G HN 0.692 nan 8.290 nan 0.000 0.500 486 E N -1.478 118.499 120.200 -0.372 0.000 2.383 486 E HA 0.596 4.946 4.350 0.000 0.000 0.275 486 E C -0.900 175.595 176.600 -0.174 0.000 0.918 486 E CA -1.056 55.322 56.400 -0.037 0.000 0.764 486 E CB 1.349 31.055 29.700 0.011 0.000 1.252 486 E HN 0.045 nan 8.360 nan 0.000 0.449 487 F N 1.415 121.390 119.950 0.041 0.000 2.394 487 F HA 0.402 4.929 4.527 0.000 0.000 0.340 487 F C 0.567 176.302 175.800 -0.108 0.000 1.105 487 F CA -0.370 57.574 58.000 -0.093 0.000 1.124 487 F CB 1.162 40.126 39.000 -0.060 0.000 1.145 487 F HN 0.223 nan 8.300 nan 0.000 0.505 488 V N -1.082 118.773 119.914 -0.099 0.000 3.130 488 V HA 0.489 4.609 4.120 0.000 0.000 0.308 488 V C -1.331 174.754 176.094 -0.015 0.000 1.413 488 V CA -1.096 61.204 62.300 -0.000 0.000 1.053 488 V CB 1.765 33.563 31.823 -0.040 0.000 1.075 488 V HN 0.550 nan 8.190 nan 0.000 0.465 489 D N 1.431 121.859 120.400 0.047 0.000 2.393 489 D HA 0.232 4.872 4.640 0.000 0.000 0.232 489 D C 1.326 177.623 176.300 -0.004 0.000 1.192 489 D CA -0.360 53.672 54.000 0.055 0.000 0.882 489 D CB 1.239 42.082 40.800 0.072 0.000 1.038 489 D HN 0.548 nan 8.370 nan 0.000 0.499 490 M N 2.826 122.408 119.600 -0.032 0.000 2.116 490 M HA -0.209 4.271 4.480 0.000 0.000 0.255 490 M C 1.873 178.154 176.300 -0.031 0.000 1.075 490 M CA 1.140 56.409 55.300 -0.053 0.000 1.087 490 M CB -0.785 31.784 32.600 -0.051 0.000 1.340 490 M HN 0.308 nan 8.290 nan 0.000 0.402 491 V N 0.184 120.093 119.914 -0.009 0.000 2.221 491 V HA -0.236 3.885 4.120 0.000 0.000 0.242 491 V C 2.116 178.206 176.094 -0.006 0.000 1.041 491 V CA 1.838 64.135 62.300 -0.004 0.000 0.995 491 V CB -0.790 31.037 31.823 0.008 0.000 0.635 491 V HN 0.464 nan 8.190 nan 0.000 0.448 492 E N 0.145 120.347 120.200 0.003 0.000 2.396 492 E HA -0.160 4.190 4.350 0.000 0.000 0.200 492 E C 1.779 178.374 176.600 -0.008 0.000 1.023 492 E CA 0.973 57.374 56.400 0.003 0.000 0.857 492 E CB -0.200 29.508 29.700 0.014 0.000 0.775 492 E HN 0.599 nan 8.360 nan 0.000 0.525 493 A N 0.028 122.835 122.820 -0.020 0.000 2.308 493 A HA 0.342 4.662 4.320 0.000 0.000 0.217 493 A C 1.515 179.075 177.584 -0.041 0.000 1.216 493 A CA 0.494 52.509 52.037 -0.037 0.000 0.864 493 A CB 0.060 19.023 19.000 -0.062 0.000 0.902 493 A HN 0.247 nan 8.150 nan 0.000 0.499 494 G N -0.110 108.672 108.800 -0.030 0.000 2.221 494 G HA2 -0.226 3.734 3.960 0.000 0.000 0.265 494 G HA3 -0.226 3.734 3.960 0.000 0.000 0.265 494 G C 0.015 174.892 174.900 -0.038 0.000 1.041 494 G CA 0.502 45.585 45.100 -0.028 0.000 0.807 494 G HN 0.596 nan 8.290 nan 0.000 0.502 495 I N 0.513 121.055 120.570 -0.046 0.000 2.557 495 I HA 0.385 4.556 4.170 0.000 0.000 0.277 495 I C 0.260 176.352 176.117 -0.042 0.000 1.106 495 I CA -0.779 60.487 61.300 -0.055 0.000 1.180 495 I CB 0.931 38.880 38.000 -0.085 0.000 1.392 495 I HN -0.058 nan 8.210 nan 0.000 0.506 496 V N 2.740 122.636 119.914 -0.030 0.000 3.113 496 V HA 0.599 4.719 4.120 0.000 0.000 0.316 496 V C -0.626 175.456 176.094 -0.020 0.000 1.125 496 V CA -0.711 61.576 62.300 -0.022 0.000 1.026 496 V CB 2.754 34.568 31.823 -0.015 0.000 1.080 496 V HN 0.387 nan 8.190 nan 0.000 0.444 497 D N 0.285 120.676 120.400 -0.015 0.000 2.857 497 D HA 0.400 5.040 4.640 0.000 0.000 0.227 497 D C -2.999 173.295 176.300 -0.009 0.000 1.192 497 D CA -1.353 52.639 54.000 -0.013 0.000 0.857 497 D CB 2.681 43.474 40.800 -0.013 0.000 1.645 497 D HN 0.220 nan 8.370 nan 0.000 0.482 498 P HA 0.102 nan 4.420 nan 0.000 0.265 498 P C 0.440 177.737 177.300 -0.005 0.000 1.222 498 P CA 0.006 63.102 63.100 -0.007 0.000 0.767 498 P CB 0.629 32.324 31.700 -0.009 0.000 0.801 499 A N 5.085 127.904 122.820 -0.003 0.000 2.042 499 A HA -0.273 4.047 4.320 0.000 0.000 0.222 499 A C 2.103 179.687 177.584 -0.001 0.000 1.167 499 A CA 1.716 53.753 52.037 -0.000 0.000 0.649 499 A CB -0.941 18.059 19.000 0.002 0.000 0.809 499 A HN 0.510 nan 8.150 nan 0.000 0.457 500 K N -0.286 120.113 120.400 -0.002 0.000 2.057 500 K HA -0.100 4.220 4.320 0.000 0.000 0.207 500 K C 1.804 178.403 176.600 -0.002 0.000 1.049 500 K CA 1.625 57.911 56.287 -0.002 0.000 0.931 500 K CB -0.291 32.208 32.500 -0.003 0.000 0.714 500 K HN 0.266 nan 8.250 nan 0.000 0.440 501 V N 1.013 120.924 119.914 -0.004 0.000 2.255 501 V HA -0.273 3.847 4.120 0.000 0.000 0.247 501 V C 2.260 178.352 176.094 -0.003 0.000 1.051 501 V CA 2.375 64.672 62.300 -0.005 0.000 1.018 501 V CB -0.846 30.973 31.823 -0.007 0.000 0.641 501 V HN 0.463 nan 8.190 nan 0.000 0.445 502 T N -0.179 114.373 114.554 -0.002 0.000 2.622 502 T HA -0.271 4.080 4.350 0.000 0.000 0.266 502 T C 2.050 176.751 174.700 0.001 0.000 1.047 502 T CA 2.047 64.146 62.100 -0.001 0.000 1.159 502 T CB -0.367 68.501 68.868 0.000 0.000 0.863 502 T HN 0.422 nan 8.240 nan 0.000 0.422 503 R N 0.708 121.209 120.500 0.001 0.000 2.133 503 R HA -0.147 4.193 4.340 0.000 0.000 0.247 503 R C 2.438 178.739 176.300 0.002 0.000 1.151 503 R CA 1.901 58.003 56.100 0.002 0.000 0.971 503 R CB -0.327 29.974 30.300 0.003 0.000 0.866 503 R HN 0.283 nan 8.270 nan 0.000 0.447 504 S N 0.337 116.037 115.700 0.001 0.000 2.335 504 S HA -0.056 4.414 4.470 0.000 0.000 0.217 504 S C 2.056 176.656 174.600 0.000 0.000 1.032 504 S CA 0.942 59.142 58.200 0.000 0.000 0.985 504 S CB -0.393 62.807 63.200 -0.001 0.000 0.896 504 S HN 0.574 nan 8.310 nan 0.000 0.445 505 A N 1.699 124.519 122.820 -0.000 0.000 1.915 505 A HA -0.192 4.128 4.320 0.000 0.000 0.220 505 A C 2.140 179.725 177.584 0.001 0.000 1.198 505 A CA 1.918 53.955 52.037 0.000 0.000 0.647 505 A CB -1.014 17.986 19.000 0.000 0.000 0.825 505 A HN 0.391 nan 8.150 nan 0.000 0.456 506 L N -0.540 120.684 121.223 0.002 0.000 1.943 506 L HA -0.227 4.113 4.340 0.000 0.000 0.215 506 L C 2.592 179.464 176.870 0.003 0.000 1.074 506 L CA 2.656 57.498 54.840 0.003 0.000 0.759 506 L CB -1.057 41.005 42.059 0.004 0.000 0.888 506 L HN 0.545 nan 8.230 nan 0.000 0.433 507 Q N -0.560 119.242 119.800 0.002 0.000 2.197 507 Q HA -0.263 4.077 4.340 0.000 0.000 0.211 507 Q C 2.023 178.024 176.000 0.002 0.000 0.993 507 Q CA 2.014 57.819 55.803 0.002 0.000 0.883 507 Q CB -0.316 28.423 28.738 0.002 0.000 0.916 507 Q HN 0.589 nan 8.270 nan 0.000 0.418 508 N N -0.119 118.581 118.700 0.001 0.000 2.080 508 N HA -0.102 4.638 4.740 0.000 0.000 0.189 508 N C 1.697 177.207 175.510 0.001 0.000 1.036 508 N CA 1.289 54.340 53.050 0.001 0.000 0.846 508 N CB -0.375 38.112 38.487 0.000 0.000 1.015 508 N HN 0.244 nan 8.380 nan 0.000 0.423 509 A N 1.405 124.226 122.820 0.002 0.000 1.873 509 A HA -0.090 4.230 4.320 0.000 0.000 0.218 509 A C 2.379 179.965 177.584 0.003 0.000 1.193 509 A CA 2.357 54.396 52.037 0.002 0.000 0.629 509 A CB -1.076 17.925 19.000 0.003 0.000 0.826 509 A HN 0.337 nan 8.150 nan 0.000 0.447 510 A N -1.073 121.749 122.820 0.003 0.000 1.978 510 A HA -0.127 4.193 4.320 0.000 0.000 0.220 510 A C 2.440 180.026 177.584 0.002 0.000 1.170 510 A CA 2.271 54.310 52.037 0.003 0.000 0.636 510 A CB -0.883 18.119 19.000 0.003 0.000 0.810 510 A HN 0.552 nan 8.150 nan 0.000 0.448 511 S N -0.495 115.206 115.700 0.002 0.000 2.345 511 S HA -0.099 4.371 4.470 0.000 0.000 0.220 511 S C 1.913 176.514 174.600 0.001 0.000 1.031 511 S CA 1.284 59.485 58.200 0.001 0.000 0.996 511 S CB -0.447 62.754 63.200 0.000 0.000 0.882 511 S HN 0.510 nan 8.310 nan 0.000 0.445 512 I N 1.272 121.843 120.570 0.001 0.000 2.151 512 I HA -0.187 3.983 4.170 0.000 0.000 0.243 512 I C 2.606 178.724 176.117 0.002 0.000 1.080 512 I CA 1.318 62.619 61.300 0.001 0.000 1.339 512 I CB -1.123 36.877 38.000 0.001 0.000 1.039 512 I HN 0.462 nan 8.210 nan 0.000 0.409 513 G N 0.621 109.423 108.800 0.003 0.000 2.545 513 G HA2 -0.314 3.646 3.960 0.000 0.000 0.217 513 G HA3 -0.314 3.646 3.960 0.000 0.000 0.217 513 G C 1.862 176.764 174.900 0.004 0.000 1.218 513 G CA 1.070 46.172 45.100 0.003 0.000 0.787 513 G HN 0.511 nan 8.290 nan 0.000 0.571 514 A N 0.304 123.126 122.820 0.003 0.000 1.917 514 A HA -0.059 4.261 4.320 0.000 0.000 0.219 514 A C 2.408 179.994 177.584 0.003 0.000 1.182 514 A CA 1.992 54.031 52.037 0.004 0.000 0.633 514 A CB -0.524 18.478 19.000 0.003 0.000 0.819 514 A HN 0.526 nan 8.150 nan 0.000 0.448 515 L N 0.001 121.225 121.223 0.002 0.000 1.989 515 L HA -0.160 4.180 4.340 0.000 0.000 0.211 515 L C 2.314 179.185 176.870 0.001 0.000 1.071 515 L CA 2.080 56.921 54.840 0.001 0.000 0.749 515 L CB -0.436 41.622 42.059 -0.000 0.000 0.890 515 L HN 0.460 nan 8.230 nan 0.000 0.431 516 I N -0.938 119.633 120.570 0.002 0.000 2.226 516 I HA -0.331 3.839 4.170 0.000 0.000 0.245 516 I C 2.395 178.515 176.117 0.005 0.000 1.100 516 I CA 1.347 62.649 61.300 0.002 0.000 1.374 516 I CB -0.383 37.619 38.000 0.002 0.000 1.057 516 I HN 0.305 nan 8.210 nan 0.000 0.413 517 L N 0.013 121.240 121.223 0.006 0.000 2.083 517 L HA -0.180 4.160 4.340 0.000 0.000 0.209 517 L C 2.197 179.073 176.870 0.011 0.000 1.083 517 L CA 1.445 56.291 54.840 0.009 0.000 0.752 517 L CB -0.983 41.081 42.059 0.008 0.000 0.899 517 L HN 0.247 nan 8.230 nan 0.000 0.433 518 T N -1.432 113.127 114.554 0.009 0.000 3.148 518 T HA -0.003 4.348 4.350 0.000 0.000 0.253 518 T C 0.776 175.483 174.700 0.011 0.000 1.134 518 T CA 0.273 62.379 62.100 0.010 0.000 1.051 518 T CB -0.216 68.656 68.868 0.007 0.000 0.959 518 T HN 0.196 nan 8.240 nan 0.000 0.525 519 T N 2.871 117.430 114.554 0.009 0.000 2.761 519 T HA 0.174 4.524 4.350 0.000 0.000 0.296 519 T C 0.738 175.447 174.700 0.015 0.000 0.934 519 T CA -0.343 61.760 62.100 0.004 0.000 1.091 519 T CB 1.052 69.916 68.868 -0.005 0.000 0.896 519 T HN 0.062 nan 8.240 nan 0.000 0.515 520 E N 1.046 121.260 120.200 0.022 0.000 2.511 520 E HA 0.424 4.774 4.350 0.000 0.000 0.209 520 E C 0.302 176.937 176.600 0.057 0.000 0.986 520 E CA -0.002 56.435 56.400 0.061 0.000 0.974 520 E CB 0.936 30.687 29.700 0.084 0.000 1.030 520 E HN 0.746 nan 8.360 nan 0.000 0.490 521 A N 0.247 123.037 122.820 -0.051 0.000 2.590 521 A HA 0.539 4.859 4.320 0.000 0.000 0.294 521 A C -1.394 176.059 177.584 -0.219 0.000 1.046 521 A CA -0.401 51.490 52.037 -0.244 0.000 0.684 521 A CB 1.227 20.017 19.000 -0.349 0.000 1.279 521 A HN 0.122 nan 8.150 nan 0.000 0.415 522 V N -0.737 119.001 119.914 -0.293 0.000 2.733 522 V HA 0.828 4.948 4.120 0.000 0.000 0.306 522 V C -1.203 174.765 176.094 -0.209 0.000 1.084 522 V CA -0.656 61.532 62.300 -0.186 0.000 0.905 522 V CB 1.559 33.312 31.823 -0.116 0.000 1.010 522 V HN 1.223 nan 8.190 nan 0.000 0.424 523 V N 5.263 125.089 119.914 -0.146 0.000 2.294 523 V HA 0.853 4.973 4.120 0.000 0.000 0.272 523 V C 0.816 176.853 176.094 -0.094 0.000 1.027 523 V CA 0.364 62.588 62.300 -0.126 0.000 0.823 523 V CB 0.512 32.277 31.823 -0.096 0.000 1.030 523 V HN 1.362 nan 8.190 nan 0.000 0.457 524 A N 4.093 126.853 122.820 -0.099 0.000 2.269 524 A HA 0.803 5.123 4.320 0.000 0.000 0.327 524 A C 0.004 177.490 177.584 -0.164 0.000 1.112 524 A CA -0.686 51.287 52.037 -0.107 0.000 0.865 524 A CB 0.753 19.704 19.000 -0.080 0.000 1.227 524 A HN 0.626 nan 8.150 nan 0.000 0.498 525 E N 0.615 120.651 120.200 -0.272 0.000 2.283 525 E HA 0.257 4.607 4.350 0.000 0.000 0.278 525 E C -0.639 175.686 176.600 -0.459 0.000 1.027 525 E CA -0.477 55.732 56.400 -0.319 0.000 0.843 525 E CB 1.502 31.020 29.700 -0.302 0.000 1.062 525 E HN 0.456 nan 8.360 nan 0.000 0.401 526 K N 3.345 123.598 120.400 -0.244 0.000 2.154 526 K HA 0.192 4.512 4.320 0.000 0.000 0.264 526 K C -2.320 174.205 176.600 -0.125 0.000 1.008 526 K CA -1.847 54.344 56.287 -0.160 0.000 0.937 526 K CB 0.192 32.649 32.500 -0.073 0.000 1.002 526 K HN 0.147 nan 8.250 nan 0.000 0.469 527 P HA -0.111 nan 4.420 nan 0.000 0.253 527 P C -0.853 176.467 177.300 0.035 0.000 1.159 527 P CA 0.530 63.676 63.100 0.078 0.000 0.779 527 P CB 0.093 31.843 31.700 0.082 0.000 0.745 528 E N 0.000 120.227 120.200 0.045 0.000 2.725 528 E HA 0.000 4.350 4.350 0.000 0.000 0.291 528 E CA 0.000 56.414 56.400 0.024 0.000 0.976 528 E CB 0.000 29.723 29.700 0.038 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440