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 3c2w_1_H DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT ADTLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XXXCCGVLAI RFHRQESGWI FWFRHEEVHR IRWGGKPEKL LTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL NH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.713 174.700 0.022 0.000 1.109 5 T CA 0.000 62.112 62.100 0.020 0.000 1.349 5 T CB 0.000 68.880 68.868 0.020 0.000 0.612 6 P HA 0.266 nan 4.420 nan 0.000 0.267 6 P C 0.123 177.438 177.300 0.026 0.000 1.200 6 P CA -0.649 62.465 63.100 0.024 0.000 0.772 6 P CB 0.382 32.095 31.700 0.021 0.000 0.855 7 V N 0.419 120.351 119.914 0.030 0.000 2.485 7 V HA 0.372 4.490 4.120 -0.004 0.000 0.287 7 V C 0.507 176.621 176.094 0.033 0.000 1.022 7 V CA 0.069 62.390 62.300 0.035 0.000 1.067 7 V CB -0.237 31.611 31.823 0.043 0.000 0.967 7 V HN 0.818 nan 8.190 nan 0.000 0.479 8 T N 2.724 117.297 114.554 0.032 0.000 2.718 8 T HA 0.519 4.867 4.350 -0.004 0.000 0.267 8 T C 0.831 175.552 174.700 0.034 0.000 0.957 8 T CA -0.779 61.339 62.100 0.030 0.000 1.025 8 T CB 1.334 70.216 68.868 0.024 0.000 1.355 8 T HN 0.319 nan 8.240 nan 0.000 0.572 9 L N 0.385 121.626 121.223 0.030 0.000 2.034 9 L HA 0.193 4.531 4.340 -0.004 0.000 0.203 9 L C 3.106 179.996 176.870 0.033 0.000 1.074 9 L CA 2.195 57.055 54.840 0.033 0.000 0.748 9 L CB -1.696 40.378 42.059 0.026 0.000 0.905 9 L HN 0.948 nan 8.230 nan 0.000 0.439 10 A N -0.572 122.265 122.820 0.027 0.000 2.216 10 A HA -0.185 4.133 4.320 -0.004 0.000 0.214 10 A C 1.861 179.462 177.584 0.028 0.000 1.160 10 A CA 1.532 53.584 52.037 0.026 0.000 0.725 10 A CB -0.631 18.382 19.000 0.022 0.000 0.784 10 A HN 0.526 nan 8.150 nan 0.000 0.472 11 N N -1.652 117.066 118.700 0.030 0.000 2.348 11 N HA -0.061 4.677 4.740 -0.004 0.000 0.183 11 N C 1.444 176.977 175.510 0.037 0.000 1.094 11 N CA 0.873 53.942 53.050 0.032 0.000 0.885 11 N CB -0.362 38.143 38.487 0.029 0.000 1.065 11 N HN 0.373 nan 8.380 nan 0.000 0.472 12 C N 1.385 120.710 119.300 0.042 0.000 2.429 12 C HA -0.091 4.367 4.460 -0.004 0.000 0.277 12 C C 2.411 177.430 174.990 0.048 0.000 1.262 12 C CA 1.752 60.800 59.018 0.050 0.000 1.733 12 C CB -1.193 26.584 27.740 0.061 0.000 2.010 12 C HN 0.657 nan 8.230 nan 0.000 0.483 13 E N 0.032 120.259 120.200 0.044 0.000 2.147 13 E HA -0.247 4.100 4.350 -0.004 0.000 0.199 13 E C 0.715 177.336 176.600 0.035 0.000 1.005 13 E CA 2.023 58.447 56.400 0.039 0.000 0.810 13 E CB -0.489 29.232 29.700 0.035 0.000 0.736 13 E HN 0.569 nan 8.360 nan 0.000 0.460 14 D N 1.203 121.626 120.400 0.037 0.000 2.587 14 D HA 0.105 4.743 4.640 -0.004 0.000 0.233 14 D C -0.651 175.679 176.300 0.050 0.000 1.213 14 D CA -0.035 53.989 54.000 0.040 0.000 0.827 14 D CB -0.004 40.818 40.800 0.036 0.000 1.006 14 D HN 0.308 nan 8.370 nan 0.000 0.490 15 E N 1.368 121.599 120.200 0.052 0.000 2.373 15 E HA 0.104 4.452 4.350 -0.004 0.000 0.267 15 E C -2.025 174.626 176.600 0.085 0.000 1.032 15 E CA -1.461 54.974 56.400 0.058 0.000 0.889 15 E CB 1.070 30.802 29.700 0.054 0.000 0.984 15 E HN -0.109 nan 8.360 nan 0.000 0.425 16 P HA 0.154 nan 4.420 nan 0.000 0.211 16 P C 0.027 177.345 177.300 0.029 0.000 1.833 16 P CA -0.123 63.015 63.100 0.063 0.000 0.938 16 P CB -0.470 31.205 31.700 -0.041 0.000 1.808 17 I N -2.945 117.694 120.570 0.115 0.000 3.241 17 I HA -0.131 4.037 4.170 -0.004 0.000 0.280 17 I C 1.574 177.732 176.117 0.068 0.000 1.320 17 I CA 1.152 62.490 61.300 0.064 0.000 1.413 17 I CB -1.308 36.712 38.000 0.034 0.000 1.060 17 I HN 0.189 nan 8.210 nan 0.000 0.500 18 H N 0.777 119.825 119.070 -0.038 0.000 2.740 18 H HA 0.327 4.881 4.556 -0.004 0.000 0.265 18 H C 1.029 176.353 175.328 -0.007 0.000 0.978 18 H CA 0.833 56.850 56.048 -0.052 0.000 1.198 18 H CB -0.369 29.349 29.762 -0.073 0.000 1.467 18 H HN 0.394 nan 8.280 nan 0.000 0.511 19 V N -0.729 118.963 119.914 -0.371 0.000 2.887 19 V HA 0.284 4.402 4.120 -0.004 0.000 0.370 19 V C -1.911 174.142 176.094 -0.069 0.000 1.322 19 V CA -1.197 60.974 62.300 -0.215 0.000 1.267 19 V CB 0.784 32.423 31.823 -0.307 0.000 1.344 19 V HN 0.041 nan 8.190 nan 0.000 0.573 20 P HA 0.088 nan 4.420 nan 0.000 0.217 20 P C 1.627 178.934 177.300 0.011 0.000 1.150 20 P CA 2.340 65.438 63.100 -0.004 0.000 0.832 20 P CB 0.004 31.711 31.700 0.012 0.000 0.787 21 G N -1.210 107.612 108.800 0.037 0.000 2.284 21 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.247 21 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.247 21 G C 0.494 175.357 174.900 -0.061 0.000 1.012 21 G CA 0.198 45.321 45.100 0.038 0.000 0.618 21 G HN 0.761 nan 8.290 nan 0.000 0.521 22 A N 0.051 122.844 122.820 -0.046 0.000 2.256 22 A HA 0.939 5.256 4.320 -0.004 0.000 0.318 22 A C 0.387 177.967 177.584 -0.007 0.000 1.103 22 A CA 0.011 52.017 52.037 -0.050 0.000 0.860 22 A CB 0.728 19.730 19.000 0.004 0.000 1.182 22 A HN 1.722 nan 8.150 nan 0.000 0.501 23 I N -2.958 117.621 120.570 0.014 0.000 3.516 23 I HA 0.543 4.711 4.170 -0.004 0.000 0.302 23 I C -0.623 175.537 176.117 0.072 0.000 1.143 23 I CA -1.123 60.188 61.300 0.018 0.000 1.003 23 I CB 1.397 39.386 38.000 -0.019 0.000 1.347 23 I HN 0.607 nan 8.210 nan 0.000 0.486 24 Q N 0.694 120.489 119.800 -0.009 0.000 2.221 24 Q HA 0.366 4.704 4.340 -0.004 0.000 0.242 24 Q C -2.035 173.982 176.000 0.028 0.000 0.940 24 Q CA -1.615 54.184 55.803 -0.007 0.000 0.896 24 Q CB 1.635 30.323 28.738 -0.084 0.000 1.226 24 Q HN 0.444 nan 8.270 nan 0.000 0.463 25 P HA -0.127 nan 4.420 nan 0.000 0.222 25 P C 0.486 177.833 177.300 0.078 0.000 1.153 25 P CA 1.180 64.356 63.100 0.127 0.000 0.798 25 P CB -0.002 31.811 31.700 0.189 0.000 0.796 26 H N -1.657 117.445 119.070 0.053 0.000 2.567 26 H HA 0.253 4.806 4.556 -0.004 0.000 0.276 26 H C 0.811 176.168 175.328 0.048 0.000 1.016 26 H CA 0.528 56.595 56.048 0.032 0.000 1.186 26 H CB -0.520 29.246 29.762 0.007 0.000 1.351 26 H HN 0.052 nan 8.280 nan 0.000 0.605 27 G N -1.292 107.328 108.800 -0.300 0.000 2.827 27 G HA2 0.707 4.665 3.960 -0.004 0.000 0.296 27 G HA3 0.707 4.665 3.960 -0.004 0.000 0.296 27 G C -1.632 173.267 174.900 -0.002 0.000 1.362 27 G CA -0.778 44.233 45.100 -0.148 0.000 0.809 27 G HN 0.589 nan 8.290 nan 0.000 0.522 28 A N -1.101 121.790 122.820 0.117 0.000 2.498 28 A HA 0.829 5.147 4.320 -0.004 0.000 0.298 28 A C -1.724 175.992 177.584 0.219 0.000 1.075 28 A CA -0.563 51.563 52.037 0.147 0.000 0.714 28 A CB 2.077 21.158 19.000 0.135 0.000 1.299 28 A HN 1.675 nan 8.150 nan 0.000 0.407 29 L N 1.195 122.510 121.223 0.153 0.000 2.381 29 L HA 0.851 5.188 4.340 -0.004 0.000 0.268 29 L C -1.478 175.472 176.870 0.133 0.000 0.997 29 L CA -0.437 54.482 54.840 0.133 0.000 0.818 29 L CB 2.341 44.423 42.059 0.038 0.000 1.310 29 L HN 0.481 nan 8.230 nan 0.000 0.416 30 V N 2.869 122.868 119.914 0.141 0.000 2.498 30 V HA 0.396 4.513 4.120 -0.004 0.000 0.283 30 V C -0.167 175.933 176.094 0.009 0.000 1.015 30 V CA -0.286 62.075 62.300 0.102 0.000 0.867 30 V CB 1.639 33.603 31.823 0.235 0.000 1.025 30 V HN 0.909 nan 8.190 nan 0.000 0.441 31 T N 3.420 117.915 114.554 -0.099 0.000 2.909 31 T HA 0.840 5.187 4.350 -0.004 0.000 0.289 31 T C -0.603 174.016 174.700 -0.136 0.000 1.005 31 T CA -0.426 61.546 62.100 -0.214 0.000 1.084 31 T CB 1.727 70.315 68.868 -0.467 0.000 0.975 31 T HN 0.207 nan 8.240 nan 0.000 0.509 32 L N 0.984 122.122 121.223 -0.142 0.000 2.359 32 L HA 0.676 5.013 4.340 -0.004 0.000 0.256 32 L C 0.222 177.054 176.870 -0.064 0.000 1.026 32 L CA -1.038 53.738 54.840 -0.107 0.000 0.828 32 L CB 2.297 44.289 42.059 -0.111 0.000 1.406 32 L HN 0.953 nan 8.230 nan 0.000 0.413 33 R N 0.364 120.814 120.500 -0.082 0.000 2.810 33 R HA 0.828 5.165 4.340 -0.004 0.000 0.245 33 R C 0.673 176.923 176.300 -0.083 0.000 1.168 33 R CA -0.060 56.025 56.100 -0.025 0.000 1.096 33 R CB 0.857 31.146 30.300 -0.019 0.000 1.259 33 R HN 0.578 nan 8.270 nan 0.000 0.518 34 A N 0.423 123.224 122.820 -0.031 0.000 2.042 34 A HA -0.251 4.066 4.320 -0.004 0.000 0.222 34 A C 1.050 178.511 177.584 -0.206 0.000 1.167 34 A CA 2.116 54.087 52.037 -0.110 0.000 0.649 34 A CB -1.036 17.957 19.000 -0.011 0.000 0.809 34 A HN 0.892 nan 8.150 nan 0.000 0.457 35 D N -3.824 116.507 120.400 -0.115 0.000 2.363 35 D HA 0.384 5.022 4.640 -0.004 0.000 0.214 35 D C 0.964 177.265 176.300 0.001 0.000 1.093 35 D CA 0.724 54.690 54.000 -0.057 0.000 0.837 35 D CB -0.089 40.727 40.800 0.027 0.000 0.948 35 D HN 0.670 nan 8.370 nan 0.000 0.507 36 G N 0.329 109.041 108.800 -0.147 0.000 2.159 36 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.227 36 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.227 36 G C 0.073 174.664 174.900 -0.515 0.000 0.986 36 G CA 0.010 44.995 45.100 -0.191 0.000 0.651 36 G HN 0.447 nan 8.290 nan 0.000 0.523 37 M N 1.904 121.184 119.600 -0.534 0.000 2.200 37 M HA 0.558 5.036 4.480 -0.004 0.000 0.355 37 M C 0.465 176.520 176.300 -0.407 0.000 1.283 37 M CA -0.417 54.422 55.300 -0.768 0.000 1.124 37 M CB 0.969 33.375 32.600 -0.324 0.000 1.625 37 M HN -0.028 nan 8.290 nan 0.000 0.463 38 V N 7.424 127.106 119.914 -0.385 0.000 2.529 38 V HA -0.030 4.088 4.120 -0.004 0.000 0.292 38 V C 0.911 176.962 176.094 -0.071 0.000 1.028 38 V CA 0.372 62.572 62.300 -0.166 0.000 1.074 38 V CB 0.690 32.449 31.823 -0.106 0.000 0.958 38 V HN 0.971 nan 8.190 nan 0.000 0.481 39 L N 3.971 125.190 121.223 -0.006 0.000 2.500 39 L HA 0.559 4.896 4.340 -0.004 0.000 0.219 39 L C 0.853 177.807 176.870 0.140 0.000 1.057 39 L CA 0.931 55.827 54.840 0.093 0.000 0.854 39 L CB 0.295 42.476 42.059 0.203 0.000 1.078 39 L HN 0.807 nan 8.230 nan 0.000 0.480 40 A N -0.619 122.249 122.820 0.080 0.000 2.552 40 A HA 0.858 5.176 4.320 -0.004 0.000 0.308 40 A C -1.792 175.794 177.584 0.004 0.000 1.114 40 A CA 0.099 52.182 52.037 0.077 0.000 0.610 40 A CB 0.724 19.821 19.000 0.162 0.000 1.402 40 A HN 0.074 nan 8.150 nan 0.000 0.563 41 A N -0.949 121.876 122.820 0.009 0.000 2.517 41 A HA 0.676 4.994 4.320 -0.004 0.000 0.296 41 A C -0.222 177.376 177.584 0.023 0.000 0.983 41 A CA 0.230 52.270 52.037 0.005 0.000 0.634 41 A CB -0.405 18.610 19.000 0.025 0.000 1.341 41 A HN 2.381 nan 8.150 nan 0.000 0.438 42 S N 0.212 115.923 115.700 0.018 0.000 2.579 42 S HA 0.337 4.805 4.470 -0.004 0.000 0.275 42 S C 0.983 175.637 174.600 0.091 0.000 1.345 42 S CA 0.365 58.584 58.200 0.031 0.000 1.031 42 S CB 0.769 63.984 63.200 0.026 0.000 0.892 42 S HN 1.092 nan 8.310 nan 0.000 0.529 43 E N 1.525 121.827 120.200 0.169 0.000 2.265 43 E HA -0.257 4.091 4.350 -0.004 0.000 0.196 43 E C 1.048 177.699 176.600 0.085 0.000 0.996 43 E CA 1.307 57.814 56.400 0.178 0.000 0.832 43 E CB -0.535 29.317 29.700 0.254 0.000 0.756 43 E HN 0.769 nan 8.360 nan 0.000 0.491 44 N N 1.797 120.540 118.700 0.071 0.000 2.383 44 N HA -0.057 4.681 4.740 -0.004 0.000 0.192 44 N C 1.446 176.963 175.510 0.012 0.000 1.141 44 N CA 0.530 53.607 53.050 0.045 0.000 0.851 44 N CB -0.379 38.143 38.487 0.059 0.000 0.976 44 N HN 0.391 nan 8.380 nan 0.000 0.465 45 I N -2.134 118.432 120.570 -0.007 0.000 2.850 45 I HA -0.130 4.038 4.170 -0.004 0.000 0.266 45 I C 1.834 177.892 176.117 -0.099 0.000 1.257 45 I CA 0.988 62.249 61.300 -0.065 0.000 1.465 45 I CB -0.717 37.248 38.000 -0.058 0.000 1.091 45 I HN 0.091 nan 8.210 nan 0.000 0.467 46 Q N 0.870 120.629 119.800 -0.068 0.000 2.304 46 Q HA 0.256 4.593 4.340 -0.004 0.000 0.204 46 Q C 2.409 178.388 176.000 -0.036 0.000 0.936 46 Q CA 0.875 56.632 55.803 -0.077 0.000 0.878 46 Q CB -0.051 28.632 28.738 -0.091 0.000 0.983 46 Q HN 0.636 nan 8.270 nan 0.000 0.516 47 A N 0.180 122.996 122.820 -0.007 0.000 2.066 47 A HA -0.089 4.229 4.320 -0.004 0.000 0.218 47 A C 1.719 179.339 177.584 0.059 0.000 1.157 47 A CA 1.079 53.133 52.037 0.027 0.000 0.670 47 A CB -0.029 18.994 19.000 0.038 0.000 0.804 47 A HN 0.198 nan 8.150 nan 0.000 0.453 48 L N -1.528 119.719 121.223 0.041 0.000 2.388 48 L HA 0.235 4.573 4.340 -0.004 0.000 0.209 48 L C 2.111 178.977 176.870 -0.007 0.000 1.061 48 L CA 0.848 55.748 54.840 0.100 0.000 0.834 48 L CB -0.146 41.987 42.059 0.123 0.000 1.029 48 L HN 0.268 nan 8.230 nan 0.000 0.473 49 L N -1.860 119.263 121.223 -0.167 0.000 2.357 49 L HA 0.324 4.662 4.340 -0.004 0.000 0.211 49 L C 1.623 178.393 176.870 -0.168 0.000 1.075 49 L CA 0.938 55.579 54.840 -0.332 0.000 0.830 49 L CB -0.077 41.686 42.059 -0.494 0.000 0.996 49 L HN 0.470 nan 8.230 nan 0.000 0.467 50 G N -0.277 108.483 108.800 -0.067 0.000 2.481 50 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.200 50 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.200 50 G C -0.110 174.847 174.900 0.095 0.000 1.012 50 G CA -0.170 44.933 45.100 0.005 0.000 0.676 50 G HN 0.128 nan 8.290 nan 0.000 0.488 51 F N 0.484 120.378 119.950 -0.094 0.000 2.679 51 F HA 0.844 5.372 4.527 0.001 0.000 0.341 51 F C 0.452 176.215 175.800 -0.061 0.000 1.095 51 F CA -0.715 57.245 58.000 -0.066 0.000 1.004 51 F CB 1.652 40.615 39.000 -0.061 0.000 1.388 51 F HN 0.250 nan 8.300 nan 0.000 0.505 52 V N 1.641 120.729 119.914 -1.376 0.000 3.214 52 V HA 0.725 4.842 4.120 -0.004 0.000 0.306 52 V C -0.686 175.147 176.094 -0.435 0.000 1.078 52 V CA 0.080 61.870 62.300 -0.850 0.000 1.077 52 V CB 1.394 32.674 31.823 -0.905 0.000 1.121 52 V HN 0.997 nan 8.190 nan 0.000 0.468 53 A N 2.899 125.585 122.820 -0.224 0.000 2.457 53 A HA 0.688 5.005 4.320 -0.004 0.000 0.283 53 A C -0.431 177.124 177.584 -0.047 0.000 1.166 53 A CA -0.107 51.885 52.037 -0.074 0.000 0.740 53 A CB 1.123 20.100 19.000 -0.038 0.000 1.181 53 A HN 1.143 nan 8.150 nan 0.000 0.446 54 S N 2.368 118.059 115.700 -0.016 0.000 2.456 54 S HA 0.676 5.143 4.470 -0.004 0.000 0.316 54 S C -2.959 171.652 174.600 0.018 0.000 1.089 54 S CA -1.698 56.504 58.200 0.002 0.000 1.101 54 S CB 1.110 64.315 63.200 0.009 0.000 0.995 54 S HN 0.351 nan 8.310 nan 0.000 0.468 55 P HA 0.264 nan 4.420 nan 0.000 0.258 55 P C 1.159 178.475 177.300 0.026 0.000 1.187 55 P CA 1.160 64.276 63.100 0.027 0.000 0.767 55 P CB 0.195 31.926 31.700 0.051 0.000 0.770 56 G N 2.133 110.938 108.800 0.009 0.000 2.352 56 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.204 56 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.204 56 G C 0.456 175.409 174.900 0.089 0.000 1.004 56 G CA 0.212 45.337 45.100 0.040 0.000 0.648 56 G HN 0.722 nan 8.290 nan 0.000 0.491 57 S N -0.467 115.280 115.700 0.079 0.000 2.694 57 S HA 0.793 5.261 4.470 -0.004 0.000 0.278 57 S C -0.391 174.297 174.600 0.147 0.000 1.152 57 S CA -0.557 57.752 58.200 0.182 0.000 1.010 57 S CB 1.451 64.741 63.200 0.151 0.000 1.104 57 S HN 0.538 nan 8.310 nan 0.000 0.547 58 Y N -0.583 119.739 120.300 0.036 0.000 2.391 58 Y HA 0.434 4.981 4.550 -0.005 0.000 0.341 58 Y C -0.316 175.609 175.900 0.041 0.000 0.965 58 Y CA -1.017 57.098 58.100 0.025 0.000 1.067 58 Y CB 1.638 40.098 38.460 -0.000 0.000 1.199 58 Y HN 0.492 nan 8.280 nan 0.000 0.450 59 L N 4.891 126.202 121.223 0.147 0.000 2.536 59 L HA 0.105 4.442 4.340 -0.004 0.000 0.282 59 L C 0.841 177.763 176.870 0.087 0.000 1.147 59 L CA -0.235 54.676 54.840 0.118 0.000 0.936 59 L CB -0.237 41.884 42.059 0.103 0.000 1.279 59 L HN 0.781 nan 8.230 nan 0.000 0.461 60 T N -1.049 113.534 114.554 0.047 0.000 2.689 60 T HA -0.056 4.292 4.350 -0.004 0.000 0.308 60 T C 1.000 175.690 174.700 -0.017 0.000 1.021 60 T CA -0.418 61.687 62.100 0.008 0.000 0.973 60 T CB 0.674 69.523 68.868 -0.032 0.000 1.113 60 T HN 0.464 nan 8.240 nan 0.000 0.522 61 Q N -0.256 119.526 119.800 -0.029 0.000 2.368 61 Q HA -0.124 4.213 4.340 -0.004 0.000 0.210 61 Q C 1.649 177.620 176.000 -0.048 0.000 0.982 61 Q CA 1.391 57.177 55.803 -0.028 0.000 0.884 61 Q CB -0.324 28.397 28.738 -0.029 0.000 0.933 61 Q HN 0.799 nan 8.270 nan 0.000 0.460 62 E N -0.827 119.319 120.200 -0.090 0.000 2.489 62 E HA -0.027 4.320 4.350 -0.004 0.000 0.193 62 E C 1.239 177.759 176.600 -0.134 0.000 1.057 62 E CA 0.241 56.565 56.400 -0.128 0.000 0.866 62 E CB 0.306 29.890 29.700 -0.193 0.000 0.916 62 E HN 0.121 nan 8.360 nan 0.000 0.500 63 Q N -0.795 118.948 119.800 -0.094 0.000 2.391 63 Q HA 0.133 4.471 4.340 -0.004 0.000 0.243 63 Q C 1.213 177.194 176.000 -0.032 0.000 0.874 63 Q CA 0.690 56.459 55.803 -0.058 0.000 0.950 63 Q CB 1.034 29.774 28.738 0.002 0.000 1.103 63 Q HN 0.273 nan 8.270 nan 0.000 0.544 64 V N -1.920 117.996 119.914 0.004 0.000 3.219 64 V HA 0.463 4.581 4.120 -0.004 0.000 0.240 64 V C 0.834 176.959 176.094 0.052 0.000 1.222 64 V CA 0.404 62.736 62.300 0.054 0.000 1.181 64 V CB 0.600 32.485 31.823 0.103 0.000 0.941 64 V HN 0.290 nan 8.190 nan 0.000 0.471 65 G N 1.017 109.834 108.800 0.028 0.000 2.619 65 G HA2 -0.039 3.918 3.960 -0.004 0.000 0.686 65 G HA3 -0.039 3.918 3.960 -0.004 0.000 0.686 65 G C -2.304 172.615 174.900 0.031 0.000 1.256 65 G CA -0.220 44.896 45.100 0.028 0.000 0.826 65 G HN 0.144 nan 8.290 nan 0.000 0.619 66 P HA 0.029 nan 4.420 nan 0.000 0.216 66 P C 1.510 178.829 177.300 0.032 0.000 1.153 66 P CA 1.853 64.966 63.100 0.022 0.000 0.844 66 P CB 0.080 31.789 31.700 0.016 0.000 0.787 67 E N -0.458 119.765 120.200 0.038 0.000 2.106 67 E HA -0.087 4.260 4.350 -0.004 0.000 0.192 67 E C 1.808 178.442 176.600 0.057 0.000 0.984 67 E CA 0.924 57.351 56.400 0.045 0.000 0.806 67 E CB -1.231 28.496 29.700 0.044 0.000 0.750 67 E HN 0.086 nan 8.360 nan 0.000 0.458 68 V N 0.788 120.740 119.914 0.063 0.000 3.041 68 V HA -0.071 4.047 4.120 -0.004 0.000 0.260 68 V C 1.994 178.137 176.094 0.081 0.000 1.105 68 V CA 0.925 63.272 62.300 0.078 0.000 1.125 68 V CB -0.439 31.441 31.823 0.096 0.000 0.730 68 V HN 0.220 nan 8.190 nan 0.000 0.479 69 L N -0.489 120.771 121.223 0.061 0.000 2.102 69 L HA -0.004 4.334 4.340 -0.004 0.000 0.202 69 L C 2.833 179.726 176.870 0.038 0.000 1.076 69 L CA 1.144 56.011 54.840 0.045 0.000 0.761 69 L CB -0.414 41.662 42.059 0.028 0.000 0.921 69 L HN 0.174 nan 8.230 nan 0.000 0.444 70 R N -0.332 120.193 120.500 0.042 0.000 2.119 70 R HA -0.260 4.078 4.340 -0.004 0.000 0.246 70 R C 2.292 178.636 176.300 0.074 0.000 1.146 70 R CA 1.937 58.063 56.100 0.042 0.000 0.962 70 R CB -0.357 29.969 30.300 0.044 0.000 0.863 70 R HN 0.318 nan 8.270 nan 0.000 0.442 71 M N 0.213 119.885 119.600 0.121 0.000 2.086 71 M HA -0.177 4.301 4.480 -0.004 0.000 0.261 71 M C 2.011 178.484 176.300 0.287 0.000 1.067 71 M CA 1.521 56.963 55.300 0.237 0.000 1.116 71 M CB -0.031 32.708 32.600 0.231 0.000 1.348 71 M HN 0.190 nan 8.290 nan 0.000 0.407 72 L N 0.562 121.874 121.223 0.148 0.000 2.201 72 L HA -0.156 4.182 4.340 -0.004 0.000 0.212 72 L C 2.075 178.819 176.870 -0.209 0.000 1.105 72 L CA 1.800 56.620 54.840 -0.033 0.000 0.775 72 L CB -0.520 41.532 42.059 -0.011 0.000 0.913 72 L HN 0.339 nan 8.230 nan 0.000 0.440 73 E N 0.344 120.484 120.200 -0.100 0.000 2.028 73 E HA -0.265 4.082 4.350 -0.004 0.000 0.191 73 E C 1.915 178.418 176.600 -0.161 0.000 0.988 73 E CA 1.650 57.976 56.400 -0.123 0.000 0.799 73 E CB -0.115 29.553 29.700 -0.053 0.000 0.755 73 E HN 0.694 nan 8.360 nan 0.000 0.447 74 E N -0.977 119.172 120.200 -0.086 0.000 2.482 74 E HA 0.048 4.395 4.350 -0.004 0.000 0.196 74 E C 1.734 178.199 176.600 -0.225 0.000 1.047 74 E CA 0.925 57.288 56.400 -0.061 0.000 0.869 74 E CB -0.256 29.491 29.700 0.078 0.000 0.836 74 E HN 0.275 nan 8.360 nan 0.000 0.520 75 G N 0.855 109.292 108.800 -0.604 0.000 2.417 75 G HA2 -0.089 3.868 3.960 -0.004 0.000 0.212 75 G HA3 -0.089 3.868 3.960 -0.004 0.000 0.212 75 G C 1.212 175.527 174.900 -0.976 0.000 1.187 75 G CA 0.241 44.292 45.100 -1.747 0.000 0.804 75 G HN 0.203 nan 8.290 nan 0.000 0.534 76 L N 1.198 121.895 121.223 -0.875 0.000 2.552 76 L HA 0.160 4.498 4.340 -0.004 0.000 0.227 76 L C 2.662 179.324 176.870 -0.348 0.000 1.146 76 L CA 0.940 55.344 54.840 -0.727 0.000 0.858 76 L CB -0.656 40.952 42.059 -0.751 0.000 0.969 76 L HN 0.160 nan 8.230 nan 0.000 0.451 77 T N -0.396 113.988 114.554 -0.283 0.000 2.897 77 T HA 0.112 4.460 4.350 -0.004 0.000 0.271 77 T C 0.920 175.567 174.700 -0.088 0.000 1.084 77 T CA 1.007 63.017 62.100 -0.150 0.000 1.123 77 T CB -0.407 68.399 68.868 -0.103 0.000 0.865 77 T HN 0.619 nan 8.240 nan 0.000 0.496 78 G N 0.482 109.239 108.800 -0.071 0.000 2.785 78 G HA2 -0.125 3.833 3.960 -0.004 0.000 0.686 78 G HA3 -0.125 3.833 3.960 -0.004 0.000 0.686 78 G C -0.727 174.187 174.900 0.022 0.000 1.155 78 G CA -0.225 44.870 45.100 -0.008 0.000 0.760 78 G HN 0.647 nan 8.290 nan 0.000 0.624 79 N N -0.316 118.413 118.700 0.047 0.000 3.167 79 N HA 0.797 5.534 4.740 -0.004 0.000 0.323 79 N C 0.994 176.554 175.510 0.083 0.000 1.478 79 N CA 0.831 53.917 53.050 0.060 0.000 0.753 79 N CB 1.483 39.993 38.487 0.038 0.000 1.721 79 N HN 2.251 nan 8.380 nan 0.000 0.618 80 G N 0.341 109.182 108.800 0.068 0.000 2.575 80 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.267 80 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.267 80 G C -2.333 172.617 174.900 0.083 0.000 1.264 80 G CA -0.685 44.445 45.100 0.051 0.000 0.935 80 G HN 0.540 nan 8.290 nan 0.000 0.568 81 P HA 0.282 nan 4.420 nan 0.000 0.255 81 P C -0.749 176.675 177.300 0.207 0.000 1.173 81 P CA 0.908 64.062 63.100 0.091 0.000 0.780 81 P CB 0.118 31.864 31.700 0.076 0.000 0.758 82 W N 4.113 125.407 121.300 -0.011 0.000 2.883 82 W HA 0.564 5.221 4.660 -0.006 0.000 0.335 82 W C -1.074 175.488 176.519 0.072 0.000 1.083 82 W CA -0.054 57.316 57.345 0.041 0.000 1.233 82 W CB 1.603 31.110 29.460 0.077 0.000 1.412 82 W HN 0.430 nan 8.180 nan 0.000 0.490 83 S N 4.322 119.594 115.700 -0.714 0.000 2.580 83 S HA 0.603 5.071 4.470 -0.004 0.000 0.281 83 S C -1.498 172.689 174.600 -0.688 0.000 1.129 83 S CA -1.070 56.696 58.200 -0.724 0.000 0.862 83 S CB 1.598 64.668 63.200 -0.216 0.000 1.090 83 S HN 0.791 nan 8.310 nan 0.000 0.451 84 N N -0.430 117.908 118.700 -0.603 0.000 3.356 84 N HA 0.630 5.368 4.740 -0.004 0.000 0.246 84 N C -2.187 173.152 175.510 -0.284 0.000 1.480 84 N CA -0.268 52.579 53.050 -0.338 0.000 0.877 84 N CB 1.502 39.829 38.487 -0.268 0.000 1.431 84 N HN 1.182 nan 8.380 nan 0.000 0.500 85 S N 0.276 115.871 115.700 -0.175 0.000 2.543 85 S HA 0.658 5.125 4.470 -0.004 0.000 0.273 85 S C -1.811 172.735 174.600 -0.091 0.000 1.152 85 S CA -0.564 57.517 58.200 -0.199 0.000 0.910 85 S CB 1.478 64.494 63.200 -0.306 0.000 1.105 85 S HN 0.321 nan 8.310 nan 0.000 0.465 86 V N 2.277 122.147 119.914 -0.073 0.000 2.808 86 V HA 0.550 4.667 4.120 -0.004 0.000 0.308 86 V C -0.350 175.748 176.094 0.007 0.000 1.099 86 V CA -0.655 61.637 62.300 -0.013 0.000 0.920 86 V CB 1.892 33.725 31.823 0.016 0.000 1.014 86 V HN 0.997 nan 8.190 nan 0.000 0.425 87 E N 1.074 121.291 120.200 0.030 0.000 2.283 87 E HA 0.748 5.096 4.350 -0.004 0.000 0.267 87 E C -0.612 176.035 176.600 0.077 0.000 1.045 87 E CA -0.224 56.213 56.400 0.061 0.000 0.884 87 E CB 2.023 31.756 29.700 0.055 0.000 1.106 87 E HN 0.731 nan 8.360 nan 0.000 0.408 88 T N 0.518 115.139 114.554 0.112 0.000 3.033 88 T HA 0.116 4.464 4.350 -0.004 0.000 0.362 88 T C -1.688 173.101 174.700 0.148 0.000 1.723 88 T CA -0.768 61.397 62.100 0.108 0.000 1.110 88 T CB 0.937 69.862 68.868 0.095 0.000 1.515 88 T HN 0.495 nan 8.240 nan 0.000 0.484 89 R N 3.765 124.337 120.500 0.119 0.000 2.316 89 R HA 0.554 4.891 4.340 -0.004 0.000 0.314 89 R C -0.367 175.999 176.300 0.111 0.000 1.069 89 R CA -0.185 55.998 56.100 0.138 0.000 0.959 89 R CB 0.036 30.392 30.300 0.093 0.000 0.987 89 R HN 0.573 nan 8.270 nan 0.000 0.446 90 I N 6.808 127.464 120.570 0.144 0.000 2.479 90 I HA 0.247 4.414 4.170 -0.004 0.000 0.279 90 I C 0.995 177.100 176.117 -0.021 0.000 1.102 90 I CA 0.054 61.348 61.300 -0.010 0.000 1.196 90 I CB 0.869 38.720 38.000 -0.248 0.000 1.427 90 I HN 1.133 nan 8.210 nan 0.000 0.503 91 G N 4.751 113.541 108.800 -0.017 0.000 2.779 91 G HA2 -0.397 3.561 3.960 -0.004 0.000 0.284 91 G HA3 -0.397 3.561 3.960 -0.004 0.000 0.284 91 G C 0.767 175.633 174.900 -0.055 0.000 1.326 91 G CA 0.742 45.818 45.100 -0.040 0.000 0.983 91 G HN 0.548 nan 8.290 nan 0.000 0.555 92 E N 1.182 121.290 120.200 -0.154 0.000 2.024 92 E HA 0.080 4.428 4.350 -0.004 0.000 0.190 92 E C 1.426 177.907 176.600 -0.198 0.000 0.974 92 E CA 1.425 57.657 56.400 -0.279 0.000 0.810 92 E CB -0.269 29.090 29.700 -0.568 0.000 0.775 92 E HN 0.830 nan 8.360 nan 0.000 0.453 93 H N 0.462 119.648 119.070 0.193 0.000 2.517 93 H HA 0.342 4.898 4.556 -0.000 0.000 0.346 93 H C 0.192 175.711 175.328 0.320 0.000 1.222 93 H CA -1.196 54.974 56.048 0.203 0.000 1.314 93 H CB 0.755 30.608 29.762 0.150 0.000 1.609 93 H HN 0.185 nan 8.280 nan 0.000 0.571 94 L N -0.759 120.685 121.223 0.368 0.000 2.334 94 L HA 0.569 4.907 4.340 -0.004 0.000 0.275 94 L C -1.205 175.870 176.870 0.341 0.000 1.036 94 L CA -0.851 54.202 54.840 0.355 0.000 0.807 94 L CB 0.170 42.340 42.059 0.184 0.000 1.231 94 L HN 0.413 nan 8.230 nan 0.000 0.438 95 F N -0.030 119.990 119.950 0.117 0.000 2.598 95 F HA 0.488 5.012 4.527 -0.005 0.000 0.327 95 F C 0.172 176.021 175.800 0.081 0.000 1.057 95 F CA -0.585 57.488 58.000 0.123 0.000 0.957 95 F CB 1.560 40.681 39.000 0.202 0.000 1.278 95 F HN 0.472 nan 8.300 nan 0.000 0.484 96 D N 1.974 122.486 120.400 0.187 0.000 2.456 96 D HA 0.287 4.925 4.640 -0.004 0.000 0.219 96 D C -0.747 175.563 176.300 0.017 0.000 1.126 96 D CA 0.119 54.160 54.000 0.068 0.000 0.890 96 D CB 1.375 42.193 40.800 0.029 0.000 1.025 96 D HN 0.034 nan 8.370 nan 0.000 0.511 97 V N 4.766 124.659 119.914 -0.035 0.000 2.385 97 V HA 0.341 4.458 4.120 -0.004 0.000 0.269 97 V C 0.643 176.547 176.094 -0.316 0.000 1.043 97 V CA -0.571 61.601 62.300 -0.214 0.000 0.906 97 V CB 0.806 32.539 31.823 -0.150 0.000 0.995 97 V HN 0.336 nan 8.190 nan 0.000 0.467 98 I N 2.281 122.607 120.570 -0.407 0.000 2.608 98 I HA 1.036 5.204 4.170 -0.004 0.000 0.295 98 I C 0.028 175.960 176.117 -0.309 0.000 1.049 98 I CA -0.523 60.515 61.300 -0.437 0.000 1.063 98 I CB 2.416 40.003 38.000 -0.689 0.000 1.248 98 I HN 0.604 nan 8.210 nan 0.000 0.424 99 G N 3.216 111.826 108.800 -0.316 0.000 2.619 99 G HA2 0.803 4.761 3.960 -0.004 0.000 0.296 99 G HA3 0.803 4.761 3.960 -0.004 0.000 0.296 99 G C -1.544 173.131 174.900 -0.376 0.000 1.334 99 G CA -0.610 44.315 45.100 -0.292 0.000 0.934 99 G HN 1.093 nan 8.290 nan 0.000 0.476 100 H N -2.093 116.923 119.070 -0.090 0.000 2.950 100 H HA 0.817 5.371 4.556 -0.004 0.000 0.272 100 H C -1.021 174.424 175.328 0.195 0.000 1.495 100 H CA -0.689 55.334 56.048 -0.040 0.000 1.183 100 H CB 1.728 31.481 29.762 -0.016 0.000 1.867 100 H HN 0.705 nan 8.280 nan 0.000 0.597 101 S N 0.477 116.310 115.700 0.223 0.000 2.737 101 S HA 0.359 4.826 4.470 -0.004 0.000 0.269 101 S C -2.192 172.427 174.600 0.031 0.000 1.150 101 S CA -0.588 57.530 58.200 -0.137 0.000 1.077 101 S CB -0.011 62.828 63.200 -0.602 0.000 1.075 101 S HN 0.636 nan 8.310 nan 0.000 0.476 102 Y N 5.478 125.844 120.300 0.110 0.000 2.376 102 Y HA 0.526 5.073 4.550 -0.004 0.000 0.340 102 Y C 0.669 176.636 175.900 0.112 0.000 0.965 102 Y CA -0.240 57.875 58.100 0.026 0.000 1.078 102 Y CB 0.708 39.166 38.460 -0.004 0.000 1.193 102 Y HN 0.830 nan 8.280 nan 0.000 0.452 103 K N 2.112 122.131 120.400 -0.634 0.000 1.721 103 K HA -0.373 3.945 4.320 -0.004 0.000 0.121 103 K C 0.811 177.336 176.600 -0.126 0.000 1.152 103 K CA 2.030 58.107 56.287 -0.349 0.000 0.360 103 K CB -0.807 31.523 32.500 -0.284 0.000 0.626 103 K HN 0.950 nan 8.250 nan 0.000 0.878 104 E N 0.731 120.911 120.200 -0.034 0.000 2.479 104 E HA 0.115 4.462 4.350 -0.004 0.000 0.193 104 E C -0.345 176.304 176.600 0.081 0.000 1.049 104 E CA -0.070 56.347 56.400 0.028 0.000 0.870 104 E CB 0.489 30.209 29.700 0.033 0.000 0.944 104 E HN 0.210 nan 8.360 nan 0.000 0.492 105 V N 1.430 121.362 119.914 0.031 0.000 2.481 105 V HA 0.265 4.382 4.120 -0.004 0.000 0.286 105 V C -0.381 175.534 176.094 -0.299 0.000 1.042 105 V CA -0.477 61.776 62.300 -0.078 0.000 0.928 105 V CB 0.917 32.672 31.823 -0.114 0.000 0.986 105 V HN 0.032 nan 8.190 nan 0.000 0.462 106 F N 3.695 123.408 119.950 -0.394 0.000 2.427 106 F HA 0.634 5.159 4.527 -0.004 0.000 0.346 106 F C -0.218 175.303 175.800 -0.465 0.000 1.120 106 F CA -0.520 57.321 58.000 -0.265 0.000 1.033 106 F CB 1.237 40.158 39.000 -0.132 0.000 1.126 106 F HN 0.369 nan 8.300 nan 0.000 0.462 107 Y N 3.624 123.884 120.300 -0.067 0.000 2.446 107 Y HA 0.624 5.171 4.550 -0.004 0.000 0.338 107 Y C -0.640 175.140 175.900 -0.200 0.000 1.055 107 Y CA -1.222 56.747 58.100 -0.219 0.000 1.101 107 Y CB 1.382 39.580 38.460 -0.437 0.000 1.221 107 Y HN 0.209 nan 8.280 nan 0.000 0.460 108 L N 2.810 124.031 121.223 -0.004 0.000 2.362 108 L HA 0.462 4.799 4.340 -0.004 0.000 0.275 108 L C -0.866 175.881 176.870 -0.204 0.000 0.998 108 L CA -0.815 53.941 54.840 -0.140 0.000 0.820 108 L CB 1.850 43.835 42.059 -0.123 0.000 1.270 108 L HN 0.805 nan 8.230 nan 0.000 0.415 109 E N 3.751 123.745 120.200 -0.344 0.000 2.191 109 E HA 0.472 4.820 4.350 -0.004 0.000 0.263 109 E C -1.364 175.016 176.600 -0.366 0.000 0.881 109 E CA -0.380 55.887 56.400 -0.221 0.000 0.757 109 E CB 1.892 31.546 29.700 -0.077 0.000 1.147 109 E HN 0.217 nan 8.360 nan 0.000 0.414 110 F N 1.399 121.386 119.950 0.062 0.000 2.432 110 F HA 0.473 4.997 4.527 -0.005 0.000 0.329 110 F C 0.417 176.333 175.800 0.193 0.000 1.076 110 F CA -0.684 57.418 58.000 0.170 0.000 1.018 110 F CB 1.584 40.691 39.000 0.177 0.000 1.201 110 F HN 0.354 nan 8.300 nan 0.000 0.489 111 E N 2.096 122.567 120.200 0.453 0.000 2.321 111 E HA 0.356 4.704 4.350 -0.004 0.000 0.278 111 E C -1.230 175.202 176.600 -0.279 0.000 0.902 111 E CA -0.855 55.628 56.400 0.138 0.000 0.758 111 E CB 1.566 31.328 29.700 0.103 0.000 1.213 111 E HN 0.547 nan 8.360 nan 0.000 0.426 112 I N 1.728 121.986 120.570 -0.519 0.000 2.505 112 I HA 0.357 4.525 4.170 -0.004 0.000 0.287 112 I C -0.051 175.793 176.117 -0.454 0.000 1.104 112 I CA -0.274 60.468 61.300 -0.930 0.000 1.387 112 I CB 0.127 37.743 38.000 -0.641 0.000 1.404 112 I HN 0.483 nan 8.210 nan 0.000 0.528 113 R N 5.746 126.001 120.500 -0.409 0.000 2.296 113 R HA 0.312 4.650 4.340 -0.004 0.000 0.323 113 R C -0.228 176.004 176.300 -0.113 0.000 1.067 113 R CA 0.070 56.076 56.100 -0.157 0.000 0.946 113 R CB 0.142 30.404 30.300 -0.065 0.000 0.991 113 R HN 0.831 nan 8.270 nan 0.000 0.448 114 T N 2.808 117.317 114.554 -0.074 0.000 2.732 114 T HA 0.318 4.665 4.350 -0.004 0.000 0.287 114 T C 1.189 175.873 174.700 -0.027 0.000 0.993 114 T CA -0.021 62.048 62.100 -0.052 0.000 0.966 114 T CB 1.018 69.860 68.868 -0.044 0.000 1.047 114 T HN 0.660 nan 8.240 nan 0.000 0.527 115 A N -0.415 122.395 122.820 -0.018 0.000 2.238 115 A HA 0.224 4.542 4.320 -0.004 0.000 0.210 115 A C 0.665 178.245 177.584 -0.006 0.000 1.179 115 A CA -0.056 51.977 52.037 -0.007 0.000 0.827 115 A CB -0.413 18.586 19.000 -0.002 0.000 0.856 115 A HN 0.781 nan 8.150 nan 0.000 0.488 116 D N 0.036 120.429 120.400 -0.010 0.000 2.424 116 D HA 0.423 5.060 4.640 -0.004 0.000 0.244 116 D C -0.028 176.270 176.300 -0.004 0.000 1.134 116 D CA 1.277 55.273 54.000 -0.006 0.000 0.881 116 D CB 0.518 41.312 40.800 -0.009 0.000 1.191 116 D HN 0.110 nan 8.370 nan 0.000 0.445 117 T N 2.339 116.893 114.554 -0.000 0.000 2.886 117 T HA 0.482 4.830 4.350 -0.004 0.000 0.330 117 T C -1.544 173.154 174.700 -0.003 0.000 1.488 117 T CA -0.704 61.390 62.100 -0.011 0.000 1.054 117 T CB 0.389 69.249 68.868 -0.012 0.000 1.348 117 T HN 0.244 nan 8.240 nan 0.000 0.489 118 L N 1.985 123.193 121.223 -0.025 0.000 2.319 118 L HA 0.689 5.026 4.340 -0.004 0.000 0.267 118 L C 0.254 177.116 176.870 -0.012 0.000 1.011 118 L CA -1.193 53.646 54.840 -0.003 0.000 0.818 118 L CB 2.091 44.148 42.059 -0.004 0.000 1.316 118 L HN 0.627 nan 8.230 nan 0.000 0.432 119 S N 0.975 116.693 115.700 0.029 0.000 2.489 119 S HA 0.232 4.700 4.470 -0.004 0.000 0.277 119 S C 1.238 175.867 174.600 0.048 0.000 1.230 119 S CA -0.672 57.547 58.200 0.030 0.000 1.053 119 S CB 0.457 63.684 63.200 0.044 0.000 0.955 119 S HN 0.455 nan 8.310 nan 0.000 0.488 120 I N 5.137 125.713 120.570 0.010 0.000 2.142 120 I HA -0.101 4.066 4.170 -0.004 0.000 0.240 120 I C 2.411 178.578 176.117 0.083 0.000 1.078 120 I CA 1.619 62.929 61.300 0.017 0.000 1.343 120 I CB -1.746 36.240 38.000 -0.023 0.000 1.046 120 I HN 0.631 nan 8.210 nan 0.000 0.405 121 T N 0.270 114.856 114.554 0.054 0.000 3.098 121 T HA -0.056 4.292 4.350 -0.004 0.000 0.266 121 T C 1.709 176.447 174.700 0.063 0.000 1.145 121 T CA 1.203 63.334 62.100 0.052 0.000 1.092 121 T CB -0.204 68.682 68.868 0.031 0.000 0.908 121 T HN 0.505 nan 8.240 nan 0.000 0.526 122 S N -0.274 115.479 115.700 0.088 0.000 2.523 122 S HA 0.203 4.670 4.470 -0.004 0.000 0.217 122 S C 1.404 176.080 174.600 0.127 0.000 0.996 122 S CA -0.642 57.610 58.200 0.086 0.000 0.921 122 S CB -0.470 62.775 63.200 0.075 0.000 0.829 122 S HN 0.433 nan 8.310 nan 0.000 0.495 123 F N 3.573 123.530 119.950 0.011 0.000 2.512 123 F HA 0.090 4.616 4.527 -0.003 0.000 0.296 123 F C 2.357 178.167 175.800 0.015 0.000 1.110 123 F CA 1.491 59.502 58.000 0.019 0.000 1.446 123 F CB -0.123 38.839 39.000 -0.063 0.000 1.092 123 F HN 0.400 nan 8.300 nan 0.000 0.554 124 T N -1.822 112.774 114.554 0.069 0.000 2.976 124 T HA -0.049 4.299 4.350 -0.004 0.000 0.257 124 T C 1.740 176.416 174.700 -0.040 0.000 1.051 124 T CA 0.933 63.029 62.100 -0.008 0.000 1.141 124 T CB -0.661 68.238 68.868 0.052 0.000 0.881 124 T HN 0.186 nan 8.240 nan 0.000 0.461 125 L N 1.778 122.994 121.223 -0.011 0.000 2.376 125 L HA 0.265 4.603 4.340 -0.004 0.000 0.219 125 L C 2.345 179.198 176.870 -0.029 0.000 1.133 125 L CA 1.106 55.938 54.840 -0.013 0.000 0.816 125 L CB -0.909 41.152 42.059 0.004 0.000 0.933 125 L HN 0.421 nan 8.230 nan 0.000 0.449 126 N N -1.235 117.435 118.700 -0.051 0.000 2.446 126 N HA -0.015 4.723 4.740 -0.004 0.000 0.179 126 N C 1.685 177.158 175.510 -0.061 0.000 1.054 126 N CA 0.592 53.608 53.050 -0.057 0.000 0.905 126 N CB 0.336 38.800 38.487 -0.039 0.000 0.973 126 N HN 0.345 nan 8.380 nan 0.000 0.448 127 A N 0.929 123.710 122.820 -0.064 0.000 1.973 127 A HA -0.079 4.239 4.320 -0.004 0.000 0.210 127 A C 1.858 179.436 177.584 -0.010 0.000 1.200 127 A CA 0.210 52.259 52.037 0.020 0.000 0.707 127 A CB -0.333 18.641 19.000 -0.044 0.000 0.862 127 A HN 0.453 nan 8.150 nan 0.000 0.461 128 Q N -0.419 119.365 119.800 -0.026 0.000 2.508 128 Q HA -0.068 4.270 4.340 -0.004 0.000 0.214 128 Q C 1.748 177.733 176.000 -0.024 0.000 0.979 128 Q CA 1.438 57.229 55.803 -0.020 0.000 0.911 128 Q CB -0.222 28.506 28.738 -0.016 0.000 0.969 128 Q HN 0.627 nan 8.270 nan 0.000 0.504 129 R N -0.393 120.087 120.500 -0.034 0.000 2.225 129 R HA 0.139 4.476 4.340 -0.004 0.000 0.194 129 R C 1.429 177.695 176.300 -0.056 0.000 0.957 129 R CA 0.162 56.237 56.100 -0.041 0.000 1.042 129 R CB 0.296 30.569 30.300 -0.044 0.000 1.004 129 R HN 0.315 nan 8.270 nan 0.000 0.509 130 I N 1.319 121.849 120.570 -0.066 0.000 3.030 130 I HA -0.080 4.087 4.170 -0.004 0.000 0.270 130 I C 1.922 178.003 176.117 -0.061 0.000 1.211 130 I CA 0.612 61.859 61.300 -0.088 0.000 1.479 130 I CB 0.368 38.283 38.000 -0.142 0.000 1.105 130 I HN 0.208 nan 8.210 nan 0.000 0.447 131 I N -2.629 117.920 120.570 -0.035 0.000 3.462 131 I HA 0.234 4.402 4.170 -0.004 0.000 0.290 131 I C 1.985 178.081 176.117 -0.035 0.000 1.236 131 I CA 0.770 62.055 61.300 -0.026 0.000 1.418 131 I CB -0.509 37.488 38.000 -0.006 0.000 1.102 131 I HN -0.009 nan 8.210 nan 0.000 0.441 132 A N 0.817 123.616 122.820 -0.035 0.000 2.238 132 A HA -0.030 4.288 4.320 -0.004 0.000 0.208 132 A C 2.167 179.724 177.584 -0.045 0.000 1.177 132 A CA 0.815 52.833 52.037 -0.032 0.000 0.804 132 A CB -0.408 18.578 19.000 -0.023 0.000 0.823 132 A HN 0.644 nan 8.150 nan 0.000 0.482 133 Q N -0.776 118.982 119.800 -0.071 0.000 2.317 133 Q HA 0.094 4.431 4.340 -0.004 0.000 0.220 133 Q C 1.101 176.981 176.000 -0.200 0.000 0.873 133 Q CA 0.647 56.381 55.803 -0.116 0.000 0.936 133 Q CB 0.403 29.077 28.738 -0.106 0.000 1.105 133 Q HN 0.427 nan 8.270 nan 0.000 0.520 134 V N -0.132 119.699 119.914 -0.138 0.000 3.052 134 V HA -0.057 4.061 4.120 -0.004 0.000 0.254 134 V C 1.704 177.737 176.094 -0.101 0.000 1.100 134 V CA 0.703 62.920 62.300 -0.137 0.000 1.112 134 V CB -0.254 31.522 31.823 -0.078 0.000 0.738 134 V HN 0.169 nan 8.190 nan 0.000 0.469 135 Q N 0.142 119.899 119.800 -0.071 0.000 2.224 135 Q HA -0.018 4.319 4.340 -0.004 0.000 0.203 135 Q C 1.953 177.940 176.000 -0.022 0.000 0.970 135 Q CA 1.325 57.105 55.803 -0.038 0.000 0.865 135 Q CB -0.424 28.299 28.738 -0.025 0.000 0.922 135 Q HN 0.560 nan 8.270 nan 0.000 0.445 136 L N -0.660 120.542 121.223 -0.036 0.000 2.007 136 L HA -0.055 4.282 4.340 -0.004 0.000 0.205 136 L C 0.158 177.111 176.870 0.139 0.000 1.073 136 L CA 1.403 56.273 54.840 0.050 0.000 0.744 136 L CB -0.112 42.006 42.059 0.099 0.000 0.898 136 L HN 0.363 nan 8.230 nan 0.000 0.435 137 H N -2.711 116.355 119.070 -0.006 0.000 2.727 137 H HA 0.382 4.936 4.556 -0.004 0.000 0.330 137 H C -0.721 174.606 175.328 -0.002 0.000 0.986 137 H CA -0.780 55.266 56.048 -0.004 0.000 1.251 137 H CB -0.362 29.397 29.762 -0.005 0.000 1.493 137 H HN 0.072 nan 8.280 nan 0.000 0.515 138 N N 4.144 122.868 118.700 0.039 0.000 2.543 138 N HA -0.023 4.715 4.740 -0.004 0.000 0.289 138 N C -0.923 174.604 175.510 0.027 0.000 1.223 138 N CA -0.059 52.992 53.050 0.003 0.000 1.080 138 N CB 0.215 38.707 38.487 0.008 0.000 1.450 138 N HN 0.562 nan 8.380 nan 0.000 0.501 139 D N 0.876 121.283 120.400 0.012 0.000 2.464 139 D HA 0.026 4.663 4.640 -0.004 0.000 0.243 139 D C 1.448 177.761 176.300 0.022 0.000 1.104 139 D CA -0.289 53.736 54.000 0.042 0.000 0.883 139 D CB 1.169 42.027 40.800 0.097 0.000 1.050 139 D HN 0.417 nan 8.370 nan 0.000 0.524 140 T N -0.860 113.718 114.554 0.039 0.000 2.918 140 T HA -0.198 4.149 4.350 -0.004 0.000 0.271 140 T C 1.619 176.364 174.700 0.075 0.000 1.104 140 T CA 1.196 63.334 62.100 0.064 0.000 1.114 140 T CB 0.165 69.097 68.868 0.107 0.000 0.855 140 T HN 0.248 nan 8.240 nan 0.000 0.518 141 A N 0.808 123.658 122.820 0.050 0.000 1.975 141 A HA 0.245 4.563 4.320 -0.004 0.000 0.215 141 A C 2.672 180.274 177.584 0.029 0.000 1.170 141 A CA 1.104 53.163 52.037 0.036 0.000 0.656 141 A CB -0.670 18.340 19.000 0.018 0.000 0.821 141 A HN 0.504 nan 8.150 nan 0.000 0.449 142 S N -0.212 115.502 115.700 0.022 0.000 2.368 142 S HA -0.137 4.331 4.470 -0.004 0.000 0.225 142 S C 1.877 176.464 174.600 -0.021 0.000 1.030 142 S CA 1.454 59.656 58.200 0.002 0.000 0.999 142 S CB -0.376 62.813 63.200 -0.018 0.000 0.844 142 S HN 0.539 nan 8.310 nan 0.000 0.459 143 L N 1.611 122.824 121.223 -0.017 0.000 2.079 143 L HA -0.023 4.315 4.340 -0.004 0.000 0.210 143 L C 1.798 178.695 176.870 0.045 0.000 1.081 143 L CA 1.665 56.502 54.840 -0.005 0.000 0.752 143 L CB -0.552 41.517 42.059 0.017 0.000 0.896 143 L HN 0.286 nan 8.230 nan 0.000 0.433 144 L N -1.434 119.842 121.223 0.089 0.000 2.068 144 L HA -0.082 4.256 4.340 -0.004 0.000 0.204 144 L C 2.594 179.527 176.870 0.104 0.000 1.076 144 L CA 1.269 56.211 54.840 0.170 0.000 0.753 144 L CB -0.770 41.361 42.059 0.120 0.000 0.910 144 L HN 0.304 nan 8.230 nan 0.000 0.439 145 S N -0.353 115.370 115.700 0.040 0.000 2.469 145 S HA -0.191 4.276 4.470 -0.004 0.000 0.238 145 S C 1.611 176.194 174.600 -0.028 0.000 0.998 145 S CA 1.545 59.750 58.200 0.009 0.000 0.957 145 S CB -0.455 62.750 63.200 0.008 0.000 0.764 145 S HN 0.460 nan 8.310 nan 0.000 0.514 146 N N -0.219 118.452 118.700 -0.048 0.000 2.387 146 N HA -0.034 4.704 4.740 -0.004 0.000 0.176 146 N C 1.600 177.000 175.510 -0.182 0.000 1.022 146 N CA 1.143 54.135 53.050 -0.096 0.000 0.883 146 N CB 0.198 38.630 38.487 -0.092 0.000 1.019 146 N HN 0.411 nan 8.380 nan 0.000 0.435 147 V N -2.287 117.488 119.914 -0.233 0.000 3.129 147 V HA 0.067 4.184 4.120 -0.004 0.000 0.259 147 V C 1.969 177.807 176.094 -0.427 0.000 1.116 147 V CA 0.978 63.003 62.300 -0.457 0.000 1.127 147 V CB -0.477 30.971 31.823 -0.625 0.000 0.742 147 V HN 0.115 nan 8.190 nan 0.000 0.474 148 T N 0.765 115.183 114.554 -0.226 0.000 2.668 148 T HA -0.164 4.184 4.350 -0.004 0.000 0.262 148 T C 1.695 176.309 174.700 -0.143 0.000 1.045 148 T CA 2.088 64.101 62.100 -0.146 0.000 1.152 148 T CB -0.444 68.409 68.868 -0.026 0.000 0.864 148 T HN 0.569 nan 8.240 nan 0.000 0.419 149 D N 0.396 120.728 120.400 -0.113 0.000 2.219 149 D HA -0.084 4.554 4.640 -0.004 0.000 0.205 149 D C 2.096 178.327 176.300 -0.115 0.000 0.970 149 D CA 0.920 54.867 54.000 -0.089 0.000 0.851 149 D CB -0.051 40.710 40.800 -0.064 0.000 0.943 149 D HN 0.330 nan 8.370 nan 0.000 0.488 150 E N 0.440 120.531 120.200 -0.182 0.000 2.371 150 E HA 0.022 4.370 4.350 -0.004 0.000 0.194 150 E C 2.095 178.568 176.600 -0.211 0.000 1.012 150 E CA 0.148 56.425 56.400 -0.206 0.000 0.860 150 E CB 0.023 29.543 29.700 -0.300 0.000 0.811 150 E HN 0.226 nan 8.360 nan 0.000 0.502 151 L N -0.211 120.857 121.223 -0.259 0.000 2.102 151 L HA 0.082 4.420 4.340 -0.004 0.000 0.202 151 L C 2.632 179.426 176.870 -0.126 0.000 1.076 151 L CA 0.865 55.559 54.840 -0.244 0.000 0.761 151 L CB -0.368 41.456 42.059 -0.392 0.000 0.921 151 L HN 0.129 nan 8.230 nan 0.000 0.444 152 R N 0.495 120.939 120.500 -0.093 0.000 2.170 152 R HA -0.220 4.118 4.340 -0.004 0.000 0.242 152 R C 2.306 178.620 176.300 0.023 0.000 1.145 152 R CA 1.530 57.632 56.100 0.003 0.000 0.984 152 R CB -0.102 30.197 30.300 -0.002 0.000 0.869 152 R HN 0.232 nan 8.270 nan 0.000 0.455 153 R N -0.379 120.116 120.500 -0.009 0.000 2.093 153 R HA 0.031 4.369 4.340 -0.004 0.000 0.224 153 R C 2.222 178.548 176.300 0.043 0.000 1.101 153 R CA 1.334 57.439 56.100 0.009 0.000 0.979 153 R CB 0.024 30.316 30.300 -0.014 0.000 0.877 153 R HN 0.265 nan 8.270 nan 0.000 0.441 154 M N -0.741 118.898 119.600 0.066 0.000 2.160 154 M HA -0.082 4.396 4.480 -0.004 0.000 0.264 154 M C 2.317 178.719 176.300 0.170 0.000 1.073 154 M CA 2.002 57.395 55.300 0.154 0.000 1.142 154 M CB -0.130 32.642 32.600 0.286 0.000 1.358 154 M HN 0.218 nan 8.290 nan 0.000 0.422 155 T N -2.253 112.385 114.554 0.139 0.000 2.770 155 T HA 0.151 4.499 4.350 -0.004 0.000 0.258 155 T C 1.480 176.214 174.700 0.057 0.000 1.039 155 T CA 1.066 63.257 62.100 0.152 0.000 1.143 155 T CB -0.526 68.483 68.868 0.234 0.000 0.866 155 T HN 0.591 nan 8.240 nan 0.000 0.428 156 G N 0.373 109.213 108.800 0.067 0.000 2.226 156 G HA2 -0.143 3.815 3.960 -0.004 0.000 0.176 156 G HA3 -0.143 3.815 3.960 -0.004 0.000 0.176 156 G C -0.353 174.571 174.900 0.040 0.000 1.042 156 G CA -0.409 44.707 45.100 0.027 0.000 0.732 156 G HN 0.626 nan 8.290 nan 0.000 0.494 157 Y N 0.573 120.933 120.300 0.101 0.000 2.334 157 Y HA 0.361 4.909 4.550 -0.004 0.000 0.328 157 Y C 1.617 177.587 175.900 0.117 0.000 1.130 157 Y CA -0.224 58.012 58.100 0.227 0.000 1.163 157 Y CB 1.069 39.585 38.460 0.092 0.000 1.207 157 Y HN 0.131 nan 8.280 nan 0.000 0.471 158 D N 1.317 121.829 120.400 0.187 0.000 2.123 158 D HA -0.166 4.471 4.640 -0.004 0.000 0.196 158 D C 0.665 177.002 176.300 0.062 0.000 0.992 158 D CA 1.635 55.620 54.000 -0.026 0.000 0.833 158 D CB 0.274 40.942 40.800 -0.219 0.000 0.954 158 D HN 0.431 nan 8.370 nan 0.000 0.455 159 R N -0.566 120.019 120.500 0.142 0.000 2.680 159 R HA 0.450 4.788 4.340 -0.004 0.000 0.269 159 R C -2.160 174.169 176.300 0.047 0.000 1.026 159 R CA -0.627 55.532 56.100 0.098 0.000 0.889 159 R CB 2.250 32.624 30.300 0.123 0.000 1.241 159 R HN -0.091 nan 8.270 nan 0.000 0.463 160 V N 5.006 124.911 119.914 -0.014 0.000 2.711 160 V HA 0.485 4.602 4.120 -0.004 0.000 0.304 160 V C -1.051 174.994 176.094 -0.082 0.000 1.097 160 V CA -0.620 61.612 62.300 -0.114 0.000 0.906 160 V CB 2.049 33.767 31.823 -0.174 0.000 1.015 160 V HN 0.907 nan 8.190 nan 0.000 0.427 161 M N 4.672 124.185 119.600 -0.145 0.000 2.734 161 M HA 0.969 5.446 4.480 -0.004 0.000 0.264 161 M C -0.183 175.925 176.300 -0.321 0.000 1.080 161 M CA -0.512 54.673 55.300 -0.192 0.000 0.981 161 M CB 2.146 34.623 32.600 -0.205 0.000 1.514 161 M HN 0.907 nan 8.290 nan 0.000 0.569 162 A N 0.741 123.249 122.820 -0.520 0.000 2.500 162 A HA 0.635 4.952 4.320 -0.004 0.000 0.291 162 A C -2.125 175.065 177.584 -0.656 0.000 1.048 162 A CA -0.646 51.010 52.037 -0.635 0.000 0.791 162 A CB 0.517 19.319 19.000 -0.330 0.000 1.309 162 A HN 0.719 nan 8.150 nan 0.000 0.397 163 Y N 1.028 121.093 120.300 -0.392 0.000 2.446 163 Y HA 0.745 5.292 4.550 -0.004 0.000 0.338 163 Y C 0.823 176.263 175.900 -0.767 0.000 1.055 163 Y CA -0.927 56.852 58.100 -0.534 0.000 1.101 163 Y CB 1.484 39.586 38.460 -0.596 0.000 1.221 163 Y HN 0.673 nan 8.280 nan 0.000 0.460 164 R N 1.236 121.337 120.500 -0.665 0.000 2.596 164 R HA 0.565 4.903 4.340 -0.004 0.000 0.267 164 R C -1.684 174.029 176.300 -0.978 0.000 1.026 164 R CA -0.860 54.699 56.100 -0.903 0.000 1.087 164 R CB 1.032 30.887 30.300 -0.742 0.000 1.132 164 R HN 0.560 nan 8.270 nan 0.000 0.531 165 F N 1.159 120.768 119.950 -0.567 0.000 2.493 165 F HA 0.416 4.940 4.527 -0.004 0.000 0.329 165 F C 0.729 176.370 175.800 -0.265 0.000 1.126 165 F CA -1.027 56.758 58.000 -0.358 0.000 0.937 165 F CB 1.214 40.049 39.000 -0.274 0.000 1.146 165 F HN 0.141 nan 8.300 nan 0.000 0.442 166 R N 0.591 121.083 120.500 -0.013 0.000 2.783 166 R HA 0.050 4.387 4.340 -0.004 0.000 0.276 166 R C 1.331 177.685 176.300 0.091 0.000 1.223 166 R CA -0.295 55.826 56.100 0.035 0.000 1.173 166 R CB -0.119 30.212 30.300 0.052 0.000 1.157 166 R HN 0.808 nan 8.270 nan 0.000 0.600 167 H N 1.234 120.321 119.070 0.029 0.000 2.321 167 H HA -0.171 4.383 4.556 -0.004 0.000 0.295 167 H C 0.908 176.251 175.328 0.025 0.000 1.102 167 H CA 2.557 58.624 56.048 0.031 0.000 1.266 167 H CB 0.006 29.782 29.762 0.023 0.000 1.363 167 H HN 0.607 nan 8.280 nan 0.000 0.492 168 D N -0.830 119.655 120.400 0.141 0.000 2.323 168 D HA -0.060 4.578 4.640 -0.004 0.000 0.239 168 D C 0.050 176.371 176.300 0.035 0.000 1.129 168 D CA 0.785 54.831 54.000 0.077 0.000 0.865 168 D CB -0.205 40.642 40.800 0.078 0.000 0.913 168 D HN 0.464 nan 8.370 nan 0.000 0.517 169 D N -0.200 120.217 120.400 0.029 0.000 2.978 169 D HA -0.177 4.460 4.640 -0.004 0.000 0.205 169 D C -0.346 176.054 176.300 0.167 0.000 1.093 169 D CA 1.261 55.287 54.000 0.044 0.000 1.006 169 D CB -1.750 39.010 40.800 -0.068 0.000 1.116 169 D HN 0.530 nan 8.370 nan 0.000 0.419 170 S N 0.031 115.789 115.700 0.097 0.000 2.516 170 S HA 0.492 4.960 4.470 -0.004 0.000 0.282 170 S C 0.866 175.323 174.600 -0.238 0.000 1.286 170 S CA 0.026 58.223 58.200 -0.005 0.000 1.066 170 S CB 1.982 65.289 63.200 0.179 0.000 0.884 170 S HN 0.356 nan 8.310 nan 0.000 0.491 171 G N 0.832 109.174 108.800 -0.764 0.000 2.547 171 G HA2 0.526 4.483 3.960 -0.004 0.000 0.291 171 G HA3 0.526 4.483 3.960 -0.004 0.000 0.291 171 G C -0.793 173.527 174.900 -0.966 0.000 1.211 171 G CA -0.802 43.569 45.100 -1.215 0.000 0.950 171 G HN 0.872 nan 8.290 nan 0.000 0.504 172 E N -0.604 119.194 120.200 -0.670 0.000 2.304 172 E HA 0.309 4.657 4.350 -0.004 0.000 0.277 172 E C -1.177 175.359 176.600 -0.106 0.000 0.898 172 E CA -0.702 55.490 56.400 -0.346 0.000 0.764 172 E CB 2.196 31.718 29.700 -0.296 0.000 1.216 172 E HN 0.245 nan 8.360 nan 0.000 0.419 173 V N 5.435 125.396 119.914 0.079 0.000 2.377 173 V HA 0.018 4.136 4.120 -0.004 0.000 0.254 173 V C 1.216 177.322 176.094 0.021 0.000 1.060 173 V CA 0.202 62.600 62.300 0.163 0.000 1.068 173 V CB 0.071 32.047 31.823 0.254 0.000 1.113 173 V HN 0.617 nan 8.190 nan 0.000 0.484 174 V N 1.428 121.308 119.914 -0.057 0.000 3.660 174 V HA 0.683 4.801 4.120 -0.004 0.000 0.276 174 V C 0.769 176.839 176.094 -0.039 0.000 1.317 174 V CA 0.592 62.852 62.300 -0.068 0.000 1.097 174 V CB -0.098 31.659 31.823 -0.110 0.000 0.863 174 V HN 0.789 nan 8.190 nan 0.000 0.438 175 A N 0.184 122.982 122.820 -0.037 0.000 2.488 175 A HA 0.807 5.125 4.320 -0.004 0.000 0.298 175 A C -0.872 176.712 177.584 -0.000 0.000 1.044 175 A CA -0.384 51.646 52.037 -0.011 0.000 0.693 175 A CB 1.922 20.919 19.000 -0.005 0.000 1.272 175 A HN 0.389 nan 8.150 nan 0.000 0.402 176 E N 0.925 121.141 120.200 0.027 0.000 2.335 176 E HA 0.582 4.930 4.350 -0.004 0.000 0.280 176 E C -1.266 175.350 176.600 0.026 0.000 0.918 176 E CA -0.328 56.094 56.400 0.036 0.000 0.765 176 E CB 1.801 31.552 29.700 0.085 0.000 1.218 176 E HN 0.932 nan 8.360 nan 0.000 0.425 177 S N 4.319 120.025 115.700 0.010 0.000 2.647 177 S HA 0.680 5.148 4.470 -0.004 0.000 0.300 177 S C -0.439 174.164 174.600 0.005 0.000 1.129 177 S CA -0.971 57.231 58.200 0.002 0.000 1.029 177 S CB 1.185 64.376 63.200 -0.016 0.000 1.007 177 S HN 0.637 nan 8.310 nan 0.000 0.484 178 R N 1.735 122.234 120.500 -0.001 0.000 2.960 178 R HA 0.703 5.041 4.340 -0.004 0.000 0.249 178 R C -0.342 175.947 176.300 -0.019 0.000 1.192 178 R CA -1.329 54.766 56.100 -0.008 0.000 1.035 178 R CB 0.985 31.264 30.300 -0.036 0.000 1.234 178 R HN 0.779 nan 8.270 nan 0.000 0.493 179 R N -0.041 120.442 120.500 -0.029 0.000 2.532 179 R HA 0.233 4.571 4.340 -0.004 0.000 0.272 179 R C 0.155 176.426 176.300 -0.049 0.000 1.032 179 R CA -0.624 55.455 56.100 -0.035 0.000 1.089 179 R CB 0.828 31.104 30.300 -0.040 0.000 1.098 179 R HN 0.722 nan 8.270 nan 0.000 0.526 180 E N 0.603 120.776 120.200 -0.044 0.000 2.209 180 E HA -0.210 4.138 4.350 -0.004 0.000 0.196 180 E C 0.631 177.192 176.600 -0.064 0.000 0.993 180 E CA 1.550 57.921 56.400 -0.048 0.000 0.819 180 E CB -0.014 29.665 29.700 -0.036 0.000 0.745 180 E HN 0.637 nan 8.360 nan 0.000 0.477 181 D N 0.834 121.194 120.400 -0.067 0.000 2.149 181 D HA -0.065 4.572 4.640 -0.004 0.000 0.201 181 D C 1.124 177.363 176.300 -0.103 0.000 0.972 181 D CA 0.474 54.429 54.000 -0.075 0.000 0.835 181 D CB -0.096 40.664 40.800 -0.066 0.000 0.966 181 D HN 0.140 nan 8.370 nan 0.000 0.476 182 L N 2.157 123.313 121.223 -0.113 0.000 2.476 182 L HA 0.009 4.347 4.340 -0.004 0.000 0.264 182 L C 1.413 178.146 176.870 -0.228 0.000 1.224 182 L CA -0.387 54.362 54.840 -0.152 0.000 0.821 182 L CB 0.404 42.384 42.059 -0.132 0.000 1.101 182 L HN 0.043 nan 8.230 nan 0.000 0.488 183 E N 0.677 120.692 120.200 -0.309 0.000 2.405 183 E HA 0.186 4.534 4.350 -0.004 0.000 0.253 183 E C -0.664 175.575 176.600 -0.603 0.000 1.257 183 E CA -0.485 55.637 56.400 -0.463 0.000 0.960 183 E CB 0.927 30.333 29.700 -0.490 0.000 1.077 183 E HN 0.380 nan 8.360 nan 0.000 0.512 184 S N -1.104 114.110 115.700 -0.811 0.000 2.536 184 S HA 0.457 4.925 4.470 -0.004 0.000 0.298 184 S C -1.181 173.026 174.600 -0.656 0.000 1.083 184 S CA -0.623 57.135 58.200 -0.737 0.000 0.995 184 S CB 0.441 63.084 63.200 -0.929 0.000 1.058 184 S HN 0.471 nan 8.310 nan 0.000 0.488 185 Y N 2.126 122.418 120.300 -0.013 0.000 2.682 185 Y HA 0.432 4.980 4.550 -0.004 0.000 0.251 185 Y C 0.162 176.195 175.900 0.222 0.000 1.172 185 Y CA -0.478 57.684 58.100 0.104 0.000 1.186 185 Y CB 0.211 38.723 38.460 0.087 0.000 1.216 185 Y HN 0.387 nan 8.280 nan 0.000 0.540 186 L N 0.441 121.959 121.223 0.492 0.000 2.462 186 L HA 0.271 4.609 4.340 -0.004 0.000 0.272 186 L C 1.268 178.265 176.870 0.212 0.000 1.166 186 L CA 0.836 55.878 54.840 0.337 0.000 0.880 186 L CB 0.447 42.682 42.059 0.293 0.000 1.142 186 L HN 0.627 nan 8.230 nan 0.000 0.473 187 G N 2.298 111.139 108.800 0.068 0.000 2.143 187 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.248 187 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.248 187 G C 0.184 175.095 174.900 0.018 0.000 0.991 187 G CA -0.185 44.880 45.100 -0.058 0.000 0.689 187 G HN 0.604 nan 8.290 nan 0.000 0.522 188 Q N 0.185 120.067 119.800 0.137 0.000 2.256 188 Q HA 0.435 4.772 4.340 -0.004 0.000 0.254 188 Q C -0.051 175.990 176.000 0.069 0.000 0.916 188 Q CA -0.447 55.462 55.803 0.175 0.000 0.932 188 Q CB 0.527 29.392 28.738 0.212 0.000 1.207 188 Q HN 0.268 nan 8.270 nan 0.000 0.426 189 R N 3.561 124.071 120.500 0.017 0.000 2.393 189 R HA 0.334 4.672 4.340 -0.004 0.000 0.310 189 R C -0.896 175.210 176.300 -0.322 0.000 0.968 189 R CA -0.470 55.354 56.100 -0.460 0.000 0.867 189 R CB 0.860 30.385 30.300 -1.291 0.000 1.124 189 R HN 0.518 nan 8.270 nan 0.000 0.450 190 Y N 0.285 120.365 120.300 -0.366 0.000 2.524 190 Y HA 0.709 5.257 4.550 -0.004 0.000 0.344 190 Y C -2.673 173.224 175.900 -0.004 0.000 1.012 190 Y CA -3.577 54.439 58.100 -0.140 0.000 1.068 190 Y CB 0.696 39.084 38.460 -0.119 0.000 1.249 190 Y HN 0.377 nan 8.280 nan 0.000 0.468 191 P HA 0.253 nan 4.420 nan 0.000 0.277 191 P C 0.097 177.512 177.300 0.190 0.000 1.276 191 P CA 0.087 63.367 63.100 0.301 0.000 0.788 191 P CB 0.937 32.786 31.700 0.248 0.000 1.114 192 A N -0.098 122.805 122.820 0.137 0.000 2.016 192 A HA -0.095 4.223 4.320 -0.004 0.000 0.217 192 A C 2.328 179.972 177.584 0.101 0.000 1.162 192 A CA 1.817 53.914 52.037 0.099 0.000 0.662 192 A CB -1.641 17.388 19.000 0.050 0.000 0.812 192 A HN 0.512 nan 8.150 nan 0.000 0.450 193 S N 0.149 115.910 115.700 0.102 0.000 2.419 193 S HA -0.185 4.283 4.470 -0.004 0.000 0.235 193 S C 1.271 175.941 174.600 0.116 0.000 1.019 193 S CA 1.609 59.863 58.200 0.091 0.000 0.982 193 S CB -0.535 62.715 63.200 0.082 0.000 0.789 193 S HN 0.527 nan 8.310 nan 0.000 0.490 194 D N 0.795 121.297 120.400 0.170 0.000 2.392 194 D HA 0.114 4.752 4.640 -0.004 0.000 0.228 194 D C 0.066 176.441 176.300 0.125 0.000 1.003 194 D CA 0.660 54.764 54.000 0.172 0.000 0.917 194 D CB -0.014 40.922 40.800 0.226 0.000 0.890 194 D HN 0.498 nan 8.370 nan 0.000 0.532 195 I N 0.341 120.985 120.570 0.124 0.000 2.649 195 I HA 0.192 4.360 4.170 -0.004 0.000 0.275 195 I C -2.456 173.690 176.117 0.047 0.000 1.180 195 I CA -1.588 59.768 61.300 0.093 0.000 1.049 195 I CB 2.271 40.350 38.000 0.132 0.000 1.234 195 I HN -0.326 nan 8.210 nan 0.000 0.506 196 P HA 0.298 nan 4.420 nan 0.000 0.342 196 P C 1.088 178.374 177.300 -0.023 0.000 1.369 196 P CA -0.082 63.023 63.100 0.008 0.000 0.800 196 P CB 0.694 32.404 31.700 0.015 0.000 1.884 197 A N -0.801 122.001 122.820 -0.030 0.000 1.855 197 A HA -0.216 4.102 4.320 -0.004 0.000 0.215 197 A C 2.311 179.843 177.584 -0.088 0.000 1.191 197 A CA 2.041 54.046 52.037 -0.053 0.000 0.613 197 A CB -1.599 17.377 19.000 -0.040 0.000 0.829 197 A HN 0.435 nan 8.150 nan 0.000 0.442 198 Q N -0.766 118.978 119.800 -0.093 0.000 2.269 198 Q HA 0.219 4.557 4.340 -0.004 0.000 0.201 198 Q C 1.938 177.832 176.000 -0.177 0.000 0.946 198 Q CA 1.363 57.072 55.803 -0.156 0.000 0.877 198 Q CB -0.439 28.211 28.738 -0.147 0.000 0.963 198 Q HN 0.557 nan 8.270 nan 0.000 0.472 199 A N 0.062 122.793 122.820 -0.148 0.000 1.969 199 A HA -0.140 4.178 4.320 -0.004 0.000 0.218 199 A C 2.060 179.508 177.584 -0.226 0.000 1.169 199 A CA 1.408 53.296 52.037 -0.248 0.000 0.635 199 A CB -0.367 18.548 19.000 -0.142 0.000 0.810 199 A HN 0.314 nan 8.150 nan 0.000 0.445 200 R N -1.153 119.301 120.500 -0.076 0.000 2.075 200 R HA -0.049 4.289 4.340 -0.004 0.000 0.226 200 R C 2.367 178.625 176.300 -0.069 0.000 1.114 200 R CA 1.117 57.209 56.100 -0.013 0.000 0.972 200 R CB -0.175 30.078 30.300 -0.078 0.000 0.869 200 R HN 0.344 nan 8.270 nan 0.000 0.437 201 R N 0.756 121.183 120.500 -0.121 0.000 2.117 201 R HA -0.084 4.254 4.340 -0.004 0.000 0.243 201 R C 1.916 178.113 176.300 -0.172 0.000 1.143 201 R CA 1.583 57.602 56.100 -0.135 0.000 0.968 201 R CB -0.567 29.638 30.300 -0.158 0.000 0.863 201 R HN 0.287 nan 8.270 nan 0.000 0.444 202 L N -1.421 119.658 121.223 -0.240 0.000 2.270 202 L HA -0.036 4.302 4.340 -0.004 0.000 0.210 202 L C 1.588 178.299 176.870 -0.265 0.000 1.104 202 L CA 0.674 55.328 54.840 -0.310 0.000 0.804 202 L CB -0.255 41.583 42.059 -0.368 0.000 0.937 202 L HN 0.244 nan 8.230 nan 0.000 0.450 203 Y N -0.552 119.659 120.300 -0.149 0.000 2.616 203 Y HA -0.113 4.434 4.550 -0.004 0.000 0.296 203 Y C 2.148 177.982 175.900 -0.110 0.000 1.154 203 Y CA 0.387 58.417 58.100 -0.118 0.000 1.325 203 Y CB 0.134 38.533 38.460 -0.101 0.000 1.007 203 Y HN 0.176 nan 8.280 nan 0.000 0.542 204 I N -1.215 119.354 120.570 -0.002 0.000 3.172 204 I HA -0.122 4.046 4.170 -0.004 0.000 0.278 204 I C 1.445 177.515 176.117 -0.079 0.000 1.174 204 I CA 0.728 62.012 61.300 -0.027 0.000 1.445 204 I CB 0.106 38.083 38.000 -0.038 0.000 1.175 204 I HN 0.067 nan 8.210 nan 0.000 0.447 205 Q N 0.607 120.303 119.800 -0.173 0.000 2.280 205 Q HA 0.192 4.529 4.340 -0.004 0.000 0.201 205 Q C -0.464 175.291 176.000 -0.410 0.000 0.890 205 Q CA 0.146 55.778 55.803 -0.286 0.000 0.947 205 Q CB 0.468 28.968 28.738 -0.396 0.000 1.081 205 Q HN 0.321 nan 8.270 nan 0.000 0.502 206 N N 0.458 118.996 118.700 -0.270 0.000 2.577 206 N HA 0.159 4.896 4.740 -0.004 0.000 0.275 206 N C -2.352 173.107 175.510 -0.085 0.000 1.091 206 N CA -1.134 51.778 53.050 -0.229 0.000 0.843 206 N CB 1.941 40.263 38.487 -0.275 0.000 1.295 206 N HN -0.150 nan 8.380 nan 0.000 0.530 207 P HA -0.113 nan 4.420 nan 0.000 0.214 207 P C 0.593 177.911 177.300 0.030 0.000 1.169 207 P CA 1.312 64.413 63.100 0.000 0.000 0.908 207 P CB 0.269 31.959 31.700 -0.016 0.000 0.791 208 I N -3.254 117.317 120.570 0.002 0.000 2.750 208 I HA 0.722 4.889 4.170 -0.004 0.000 0.308 208 I C -0.467 175.659 176.117 0.015 0.000 1.016 208 I CA -1.684 59.632 61.300 0.025 0.000 1.098 208 I CB 1.812 39.825 38.000 0.021 0.000 1.279 208 I HN -0.258 nan 8.210 nan 0.000 0.454 209 R N 4.442 124.965 120.500 0.039 0.000 2.502 209 R HA 0.591 4.928 4.340 -0.004 0.000 0.298 209 R C -2.211 174.108 176.300 0.031 0.000 1.018 209 R CA -0.538 55.581 56.100 0.031 0.000 0.899 209 R CB 0.947 31.286 30.300 0.065 0.000 1.181 209 R HN 0.895 nan 8.270 nan 0.000 0.444 210 L N 6.161 127.402 121.223 0.029 0.000 2.282 210 L HA 0.577 4.915 4.340 -0.004 0.000 0.288 210 L C -0.717 176.155 176.870 0.004 0.000 1.033 210 L CA -0.761 54.091 54.840 0.020 0.000 0.807 210 L CB 1.035 43.106 42.059 0.020 0.000 1.209 210 L HN 0.721 nan 8.230 nan 0.000 0.423 211 I N 4.814 125.383 120.570 -0.001 0.000 2.405 211 I HA 0.229 4.396 4.170 -0.004 0.000 0.280 211 I C 0.926 177.011 176.117 -0.054 0.000 1.027 211 I CA -0.215 61.074 61.300 -0.019 0.000 1.161 211 I CB 1.812 39.842 38.000 0.051 0.000 1.300 211 I HN 0.743 nan 8.210 nan 0.000 0.463 212 A N 4.270 126.994 122.820 -0.160 0.000 1.898 212 A HA -0.065 4.252 4.320 -0.004 0.000 0.216 212 A C 0.713 178.268 177.584 -0.048 0.000 1.181 212 A CA 1.458 53.380 52.037 -0.191 0.000 0.620 212 A CB 0.007 18.772 19.000 -0.391 0.000 0.819 212 A HN 0.668 nan 8.150 nan 0.000 0.442 213 D N -2.333 118.068 120.400 0.002 0.000 2.966 213 D HA 0.378 5.016 4.640 -0.004 0.000 0.222 213 D C 0.236 176.645 176.300 0.182 0.000 1.292 213 D CA -0.372 53.687 54.000 0.098 0.000 0.907 213 D CB 1.978 42.861 40.800 0.139 0.000 1.621 213 D HN -0.147 nan 8.370 nan 0.000 0.557 214 V N 2.431 122.453 119.914 0.180 0.000 2.951 214 V HA 0.070 4.187 4.120 -0.004 0.000 0.255 214 V C 1.913 178.157 176.094 0.251 0.000 1.088 214 V CA 1.643 64.076 62.300 0.222 0.000 1.109 214 V CB 0.032 31.922 31.823 0.112 0.000 0.724 214 V HN 0.677 nan 8.190 nan 0.000 0.471 215 A N -0.231 122.697 122.820 0.180 0.000 2.370 215 A HA 0.216 4.533 4.320 -0.004 0.000 0.238 215 A C 0.741 178.377 177.584 0.088 0.000 1.289 215 A CA -0.383 51.714 52.037 0.099 0.000 0.885 215 A CB -0.785 18.254 19.000 0.064 0.000 0.961 215 A HN 0.636 nan 8.150 nan 0.000 0.499 216 Y N -0.883 119.448 120.300 0.051 0.000 2.511 216 Y HA 0.428 4.976 4.550 -0.004 0.000 0.347 216 Y C 0.442 176.375 175.900 0.055 0.000 1.257 216 Y CA 0.071 58.207 58.100 0.059 0.000 1.469 216 Y CB 0.076 38.582 38.460 0.077 0.000 1.353 216 Y HN 0.008 nan 8.280 nan 0.000 0.617 217 T N 4.894 119.362 114.554 -0.144 0.000 2.756 217 T HA 0.410 4.758 4.350 -0.004 0.000 0.290 217 T C -2.782 171.866 174.700 -0.086 0.000 0.985 217 T CA -2.452 59.515 62.100 -0.221 0.000 0.955 217 T CB 0.036 68.876 68.868 -0.047 0.000 0.930 217 T HN 0.574 nan 8.240 nan 0.000 0.451 218 P HA 0.077 nan 4.420 nan 0.000 0.257 218 P C -0.383 176.992 177.300 0.125 0.000 1.189 218 P CA -0.063 63.098 63.100 0.101 0.000 0.780 218 P CB 0.065 31.775 31.700 0.017 0.000 0.772 219 M N 5.227 124.927 119.600 0.166 0.000 3.436 219 M HA 0.090 4.568 4.480 -0.004 0.000 0.240 219 M C 0.183 176.506 176.300 0.039 0.000 1.469 219 M CA -0.014 55.353 55.300 0.111 0.000 1.622 219 M CB -0.835 31.827 32.600 0.103 0.000 1.098 219 M HN 0.107 nan 8.290 nan 0.000 0.568 220 R N 0.850 121.349 120.500 -0.001 0.000 2.638 220 R HA 0.195 4.533 4.340 -0.004 0.000 0.268 220 R C -0.009 175.968 176.300 -0.540 0.000 1.006 220 R CA -0.027 55.906 56.100 -0.279 0.000 1.088 220 R CB -0.202 29.883 30.300 -0.360 0.000 0.950 220 R HN 0.535 nan 8.270 nan 0.000 0.419 221 V N 0.989 120.560 119.914 -0.572 0.000 2.539 221 V HA 0.628 4.746 4.120 -0.004 0.000 0.292 221 V C -0.701 174.969 176.094 -0.708 0.000 1.045 221 V CA -0.660 61.374 62.300 -0.444 0.000 0.945 221 V CB 0.786 32.495 31.823 -0.189 0.000 0.993 221 V HN 0.520 nan 8.190 nan 0.000 0.464 222 F N 3.527 123.522 119.950 0.075 0.000 2.556 222 F HA 0.764 5.288 4.527 -0.005 0.000 0.314 222 F C -2.204 173.653 175.800 0.094 0.000 1.106 222 F CA -2.261 55.792 58.000 0.087 0.000 0.911 222 F CB 1.853 40.886 39.000 0.056 0.000 1.190 222 F HN 0.397 nan 8.300 nan 0.000 0.448 223 P HA 0.270 nan 4.420 nan 0.000 0.282 223 P C -0.149 177.309 177.300 0.263 0.000 1.286 223 P CA 0.045 63.325 63.100 0.300 0.000 0.777 223 P CB 0.774 32.595 31.700 0.202 0.000 1.184 224 A N -0.715 122.227 122.820 0.204 0.000 2.192 224 A HA 0.193 4.511 4.320 -0.004 0.000 0.208 224 A C 0.287 177.913 177.584 0.069 0.000 1.220 224 A CA 0.475 52.604 52.037 0.154 0.000 0.900 224 A CB -0.125 18.932 19.000 0.095 0.000 0.937 224 A HN 0.322 nan 8.150 nan 0.000 0.487 225 L N 2.202 123.431 121.223 0.010 0.000 2.259 225 L HA 0.244 4.581 4.340 -0.004 0.000 0.288 225 L C -0.289 176.448 176.870 -0.222 0.000 1.051 225 L CA -0.396 54.377 54.840 -0.111 0.000 0.824 225 L CB 0.160 42.191 42.059 -0.047 0.000 1.206 225 L HN 0.356 nan 8.230 nan 0.000 0.429 226 N N 6.271 124.632 118.700 -0.564 0.000 2.365 226 N HA -0.019 4.719 4.740 -0.004 0.000 0.265 226 N C -1.701 173.674 175.510 -0.225 0.000 1.288 226 N CA -0.740 51.955 53.050 -0.592 0.000 0.869 226 N CB 1.000 38.982 38.487 -0.843 0.000 1.071 226 N HN 0.285 nan 8.380 nan 0.000 0.480 227 P HA -0.110 nan 4.420 nan 0.000 0.217 227 P C 0.642 177.915 177.300 -0.045 0.000 1.150 227 P CA 1.109 64.181 63.100 -0.046 0.000 0.832 227 P CB 0.247 31.944 31.700 -0.005 0.000 0.787 228 E N -1.361 118.811 120.200 -0.047 0.000 2.204 228 E HA -0.112 4.236 4.350 -0.004 0.000 0.195 228 E C 1.700 178.278 176.600 -0.037 0.000 0.990 228 E CA 1.395 57.776 56.400 -0.031 0.000 0.821 228 E CB -0.857 28.832 29.700 -0.019 0.000 0.750 228 E HN 0.254 nan 8.360 nan 0.000 0.477 229 T N -1.275 113.241 114.554 -0.063 0.000 2.986 229 T HA 0.046 4.394 4.350 -0.004 0.000 0.264 229 T C 0.501 175.166 174.700 -0.057 0.000 0.964 229 T CA 0.326 62.394 62.100 -0.053 0.000 0.895 229 T CB -0.250 68.586 68.868 -0.054 0.000 1.163 229 T HN 0.261 nan 8.240 nan 0.000 0.517 230 N N 0.946 119.601 118.700 -0.076 0.000 2.714 230 N HA -0.150 4.588 4.740 -0.004 0.000 0.250 230 N C -0.995 174.474 175.510 -0.067 0.000 1.117 230 N CA 0.700 53.711 53.050 -0.065 0.000 0.719 230 N CB -0.338 38.128 38.487 -0.035 0.000 1.081 230 N HN 0.629 nan 8.380 nan 0.000 0.557 231 E N 0.043 120.185 120.200 -0.097 0.000 2.292 231 E HA 0.256 4.604 4.350 -0.004 0.000 0.272 231 E C -0.775 175.746 176.600 -0.132 0.000 0.881 231 E CA -0.627 55.725 56.400 -0.080 0.000 0.754 231 E CB 1.839 31.515 29.700 -0.040 0.000 1.201 231 E HN 0.168 nan 8.360 nan 0.000 0.425 232 S N 1.978 117.622 115.700 -0.093 0.000 2.558 232 S HA 0.007 4.475 4.470 -0.004 0.000 0.287 232 S C -0.170 174.396 174.600 -0.057 0.000 1.321 232 S CA -0.291 57.855 58.200 -0.091 0.000 1.048 232 S CB 0.089 63.274 63.200 -0.025 0.000 0.844 232 S HN 0.283 nan 8.310 nan 0.000 0.512 233 F N 2.673 122.665 119.950 0.069 0.000 2.629 233 F HA 0.041 4.567 4.527 -0.003 0.000 0.377 233 F C 1.246 177.118 175.800 0.120 0.000 1.101 233 F CA 0.390 58.473 58.000 0.139 0.000 1.301 233 F CB 0.260 39.365 39.000 0.176 0.000 1.062 233 F HN 0.483 nan 8.300 nan 0.000 0.583 234 D N 4.930 125.577 120.400 0.413 0.000 2.500 234 D HA 0.158 4.795 4.640 -0.004 0.000 0.219 234 D C 0.431 176.842 176.300 0.185 0.000 1.137 234 D CA -0.016 54.166 54.000 0.303 0.000 0.946 234 D CB 0.228 41.292 40.800 0.440 0.000 1.022 234 D HN 0.494 nan 8.370 nan 0.000 0.518 235 L N 2.210 123.468 121.223 0.059 0.000 2.682 235 L HA 0.027 4.365 4.340 -0.004 0.000 0.240 235 L C 2.131 178.910 176.870 -0.152 0.000 1.178 235 L CA -0.148 54.628 54.840 -0.107 0.000 0.970 235 L CB -0.148 41.877 42.059 -0.058 0.000 1.179 235 L HN 0.192 nan 8.230 nan 0.000 0.435 236 S N -0.331 115.282 115.700 -0.144 0.000 2.372 236 S HA -0.228 4.239 4.470 -0.004 0.000 0.227 236 S C 1.410 175.831 174.600 -0.299 0.000 1.044 236 S CA 1.692 59.760 58.200 -0.220 0.000 1.050 236 S CB -0.263 62.732 63.200 -0.341 0.000 0.901 236 S HN 0.512 nan 8.310 nan 0.000 0.447 237 Y N 0.956 120.948 120.300 -0.513 0.000 2.470 237 Y HA 0.312 4.860 4.550 -0.004 0.000 0.302 237 Y C 1.097 176.540 175.900 -0.761 0.000 1.194 237 Y CA -0.497 57.236 58.100 -0.612 0.000 1.271 237 Y CB 0.227 38.296 38.460 -0.651 0.000 1.092 237 Y HN 0.096 nan 8.280 nan 0.000 0.513 238 S N -0.569 114.922 115.700 -0.349 0.000 2.616 238 S HA 0.302 4.770 4.470 -0.004 0.000 0.277 238 S C 0.785 175.323 174.600 -0.104 0.000 1.234 238 S CA -0.578 57.530 58.200 -0.152 0.000 1.028 238 S CB 1.253 64.410 63.200 -0.072 0.000 0.988 238 S HN 0.064 nan 8.310 nan 0.000 0.522 239 V N 4.694 124.601 119.914 -0.012 0.000 3.578 239 V HA 0.239 4.356 4.120 -0.004 0.000 0.290 239 V C 0.970 177.094 176.094 0.049 0.000 1.376 239 V CA 0.265 62.579 62.300 0.024 0.000 1.083 239 V CB -0.281 31.604 31.823 0.102 0.000 0.911 239 V HN 0.776 nan 8.190 nan 0.000 0.433 240 L N -0.137 121.094 121.223 0.014 0.000 2.693 240 L HA 0.321 4.659 4.340 -0.004 0.000 0.235 240 L C 1.266 178.116 176.870 -0.033 0.000 1.127 240 L CA -0.062 54.765 54.840 -0.021 0.000 0.914 240 L CB 0.134 42.146 42.059 -0.078 0.000 1.193 240 L HN 0.191 nan 8.230 nan 0.000 0.502 241 R N 1.806 122.286 120.500 -0.033 0.000 2.638 241 R HA 0.002 4.339 4.340 -0.004 0.000 0.268 241 R C 0.517 176.800 176.300 -0.029 0.000 1.006 241 R CA 0.158 56.237 56.100 -0.035 0.000 1.088 241 R CB 0.594 30.861 30.300 -0.054 0.000 0.950 241 R HN 0.235 nan 8.270 nan 0.000 0.419 242 S N 2.556 118.262 115.700 0.010 0.000 2.572 242 S HA 0.142 4.610 4.470 -0.004 0.000 0.279 242 S C 0.209 174.852 174.600 0.073 0.000 1.341 242 S CA -1.035 57.206 58.200 0.068 0.000 1.043 242 S CB 1.316 64.629 63.200 0.187 0.000 0.887 242 S HN 0.362 nan 8.310 nan 0.000 0.516 243 V N 2.639 122.617 119.914 0.107 0.000 2.732 243 V HA 0.333 4.451 4.120 -0.004 0.000 0.297 243 V C 0.971 177.190 176.094 0.208 0.000 1.060 243 V CA -0.633 61.754 62.300 0.146 0.000 1.038 243 V CB 1.465 33.397 31.823 0.182 0.000 1.003 243 V HN 1.061 nan 8.190 nan 0.000 0.481 244 S N 4.718 120.518 115.700 0.166 0.000 2.537 244 S HA 0.121 4.589 4.470 -0.004 0.000 0.286 244 S C -1.308 173.401 174.600 0.182 0.000 1.299 244 S CA -0.818 57.473 58.200 0.152 0.000 1.067 244 S CB 0.726 63.999 63.200 0.122 0.000 0.864 244 S HN 0.624 nan 8.310 nan 0.000 0.494 245 P HA -0.117 nan 4.420 nan 0.000 0.220 245 P C 1.150 178.514 177.300 0.106 0.000 1.144 245 P CA 0.815 63.977 63.100 0.104 0.000 0.800 245 P CB 0.065 31.804 31.700 0.066 0.000 0.772 246 I N -1.811 118.835 120.570 0.127 0.000 2.406 246 I HA -0.152 4.016 4.170 -0.004 0.000 0.249 246 I C 2.335 178.571 176.117 0.198 0.000 1.122 246 I CA 1.453 62.834 61.300 0.135 0.000 1.431 246 I CB -1.622 36.454 38.000 0.127 0.000 1.087 246 I HN 0.075 nan 8.210 nan 0.000 0.424 247 H N 1.022 120.165 119.070 0.122 0.000 2.326 247 H HA -0.132 4.421 4.556 -0.004 0.000 0.301 247 H C 2.433 177.852 175.328 0.152 0.000 1.081 247 H CA 2.119 58.247 56.048 0.134 0.000 1.334 247 H CB -0.283 29.532 29.762 0.089 0.000 1.385 247 H HN 0.240 nan 8.280 nan 0.000 0.504 248 C N 0.858 120.172 119.300 0.023 0.000 2.391 248 C HA -0.187 4.270 4.460 -0.004 0.000 0.276 248 C C 2.661 177.643 174.990 -0.013 0.000 1.217 248 C CA 1.591 60.599 59.018 -0.016 0.000 1.766 248 C CB -0.947 26.862 27.740 0.116 0.000 2.046 248 C HN 0.785 nan 8.230 nan 0.000 0.475 249 E N -0.664 119.556 120.200 0.034 0.000 2.110 249 E HA -0.259 4.089 4.350 -0.004 0.000 0.193 249 E C 2.031 178.655 176.600 0.041 0.000 0.988 249 E CA 1.252 57.670 56.400 0.029 0.000 0.804 249 E CB -0.338 29.379 29.700 0.028 0.000 0.745 249 E HN 0.725 nan 8.360 nan 0.000 0.458 250 Y N 1.198 121.451 120.300 -0.078 0.000 2.181 250 Y HA -0.182 4.366 4.550 -0.004 0.000 0.288 250 Y C 1.927 177.749 175.900 -0.129 0.000 1.146 250 Y CA 1.444 59.494 58.100 -0.084 0.000 1.164 250 Y CB -0.236 38.195 38.460 -0.048 0.000 0.982 250 Y HN 0.065 nan 8.280 nan 0.000 0.515 251 L N -0.993 120.255 121.223 0.041 0.000 2.044 251 L HA -0.174 4.164 4.340 -0.004 0.000 0.205 251 L C 2.331 179.202 176.870 0.002 0.000 1.075 251 L CA 1.855 56.671 54.840 -0.039 0.000 0.747 251 L CB -1.211 40.755 42.059 -0.156 0.000 0.903 251 L HN 0.238 nan 8.230 nan 0.000 0.435 252 T N -3.596 110.962 114.554 0.005 0.000 3.051 252 T HA -0.076 4.271 4.350 -0.004 0.000 0.269 252 T C 1.523 176.228 174.700 0.008 0.000 1.127 252 T CA 0.886 62.993 62.100 0.012 0.000 1.107 252 T CB -0.342 68.536 68.868 0.015 0.000 0.898 252 T HN 0.194 nan 8.240 nan 0.000 0.517 253 N N 1.010 119.716 118.700 0.010 0.000 2.300 253 N HA 0.211 4.948 4.740 -0.004 0.000 0.179 253 N C 1.693 177.209 175.510 0.009 0.000 1.016 253 N CA 0.855 53.899 53.050 -0.010 0.000 0.876 253 N CB -0.294 38.155 38.487 -0.064 0.000 0.979 253 N HN 0.478 nan 8.380 nan 0.000 0.432 254 M N -1.455 118.169 119.600 0.041 0.000 2.334 254 M HA 0.157 4.634 4.480 -0.004 0.000 0.266 254 M C 0.747 177.056 176.300 0.016 0.000 1.082 254 M CA 0.945 56.272 55.300 0.044 0.000 1.141 254 M CB 0.341 32.954 32.600 0.022 0.000 1.380 254 M HN 0.212 nan 8.290 nan 0.000 0.440 255 G N 0.998 109.801 108.800 0.005 0.000 2.151 255 G HA2 -0.103 3.855 3.960 -0.004 0.000 0.156 255 G HA3 -0.103 3.855 3.960 -0.004 0.000 0.156 255 G C -0.453 174.451 174.900 0.007 0.000 1.017 255 G CA -0.603 44.499 45.100 0.003 0.000 0.686 255 G HN 0.256 nan 8.290 nan 0.000 0.503 256 V N 0.625 120.543 119.914 0.006 0.000 2.495 256 V HA 0.652 4.770 4.120 -0.004 0.000 0.298 256 V C 1.036 177.171 176.094 0.068 0.000 1.031 256 V CA -0.251 62.074 62.300 0.041 0.000 0.871 256 V CB 1.558 33.380 31.823 -0.003 0.000 0.988 256 V HN 0.522 nan 8.190 nan 0.000 0.432 257 R N 2.788 123.354 120.500 0.110 0.000 2.469 257 R HA 0.654 4.991 4.340 -0.004 0.000 0.250 257 R C 0.355 176.736 176.300 0.134 0.000 0.909 257 R CA 0.141 56.307 56.100 0.109 0.000 1.050 257 R CB 0.947 31.304 30.300 0.096 0.000 1.256 257 R HN 0.591 nan 8.270 nan 0.000 0.550 258 A N 1.520 124.454 122.820 0.189 0.000 2.332 258 A HA 0.554 4.872 4.320 -0.004 0.000 0.300 258 A C -0.908 176.839 177.584 0.272 0.000 1.153 258 A CA -0.569 51.586 52.037 0.195 0.000 0.764 258 A CB 1.623 20.721 19.000 0.164 0.000 1.174 258 A HN 0.171 nan 8.150 nan 0.000 0.467 259 S N 3.225 119.038 115.700 0.188 0.000 2.532 259 S HA 0.851 5.319 4.470 -0.004 0.000 0.301 259 S C -0.688 173.930 174.600 0.029 0.000 1.083 259 S CA -0.531 57.746 58.200 0.128 0.000 1.025 259 S CB 1.152 64.462 63.200 0.183 0.000 1.056 259 S HN 0.831 nan 8.310 nan 0.000 0.494 260 M N 4.099 123.615 119.600 -0.140 0.000 2.284 260 M HA 0.359 4.837 4.480 -0.004 0.000 0.281 260 M C -1.270 174.898 176.300 -0.219 0.000 1.083 260 M CA -0.207 54.989 55.300 -0.173 0.000 0.965 260 M CB 1.760 34.189 32.600 -0.285 0.000 1.717 260 M HN 0.903 nan 8.290 nan 0.000 0.479 261 S N 5.364 121.011 115.700 -0.089 0.000 2.566 261 S HA 0.892 5.360 4.470 -0.004 0.000 0.298 261 S C -1.055 173.546 174.600 0.002 0.000 1.083 261 S CA -0.788 57.372 58.200 -0.066 0.000 0.978 261 S CB 2.104 65.297 63.200 -0.011 0.000 1.073 261 S HN 0.605 nan 8.310 nan 0.000 0.491 262 I N 2.410 123.006 120.570 0.043 0.000 2.447 262 I HA 0.349 4.517 4.170 -0.004 0.000 0.287 262 I C -0.254 175.945 176.117 0.137 0.000 1.023 262 I CA -0.400 60.988 61.300 0.147 0.000 1.083 262 I CB 1.636 39.808 38.000 0.287 0.000 1.245 262 I HN 0.711 nan 8.210 nan 0.000 0.434 263 S N 6.994 122.763 115.700 0.116 0.000 2.513 263 S HA 0.561 5.029 4.470 -0.004 0.000 0.276 263 S C 0.178 174.850 174.600 0.120 0.000 1.254 263 S CA -0.423 57.827 58.200 0.084 0.000 1.053 263 S CB 1.104 64.354 63.200 0.085 0.000 0.958 263 S HN 0.352 nan 8.310 nan 0.000 0.491 264 I N 3.648 124.285 120.570 0.112 0.000 2.347 264 I HA 0.272 4.440 4.170 -0.004 0.000 0.283 264 I C -0.895 175.343 176.117 0.202 0.000 1.058 264 I CA -0.518 60.885 61.300 0.171 0.000 1.202 264 I CB 0.746 38.873 38.000 0.213 0.000 1.386 264 I HN 0.238 nan 8.210 nan 0.000 0.475 265 V N 6.751 126.742 119.914 0.129 0.000 2.357 265 V HA 0.215 4.332 4.120 -0.004 0.000 0.284 265 V C 0.277 176.406 176.094 0.058 0.000 1.018 265 V CA -0.803 61.560 62.300 0.105 0.000 0.841 265 V CB 1.833 33.692 31.823 0.060 0.000 0.991 265 V HN 0.494 nan 8.190 nan 0.000 0.437 266 V N 2.224 122.171 119.914 0.054 0.000 2.284 266 V HA 0.771 4.888 4.120 -0.004 0.000 0.260 266 V C 0.865 176.958 176.094 -0.001 0.000 1.084 266 V CA 0.082 62.366 62.300 -0.027 0.000 0.894 266 V CB 0.101 31.836 31.823 -0.148 0.000 1.119 266 V HN 1.431 nan 8.190 nan 0.000 0.484 267 G N 3.093 111.893 108.800 -0.000 0.000 2.363 267 G HA2 0.194 4.152 3.960 -0.004 0.000 0.286 267 G HA3 0.194 4.152 3.960 -0.004 0.000 0.286 267 G C 1.170 176.076 174.900 0.010 0.000 0.975 267 G CA 0.536 45.638 45.100 0.003 0.000 1.309 267 G HN 2.604 nan 8.290 nan 0.000 0.491 268 G N -0.320 108.487 108.800 0.012 0.000 2.268 268 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.240 268 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.240 268 G C 0.502 175.402 174.900 0.000 0.000 1.010 268 G CA 1.137 46.240 45.100 0.005 0.000 0.618 268 G HN 1.564 nan 8.290 nan 0.000 0.516 269 K N 0.845 121.256 120.400 0.019 0.000 2.240 269 K HA 0.634 4.952 4.320 -0.004 0.000 0.271 269 K C 0.158 176.788 176.600 0.049 0.000 1.018 269 K CA -1.072 55.227 56.287 0.019 0.000 0.874 269 K CB 0.908 33.438 32.500 0.050 0.000 1.098 269 K HN 0.203 nan 8.250 nan 0.000 0.458 270 L N 6.250 127.456 121.223 -0.029 0.000 2.698 270 L HA 0.005 4.342 4.340 -0.004 0.000 0.272 270 L C 0.292 177.193 176.870 0.052 0.000 1.154 270 L CA 0.583 55.400 54.840 -0.040 0.000 0.964 270 L CB 0.063 41.982 42.059 -0.234 0.000 1.272 270 L HN 0.881 nan 8.230 nan 0.000 0.483 271 W N 5.688 127.009 121.300 0.035 0.000 2.576 271 W HA 0.397 5.054 4.660 -0.004 0.000 0.275 271 W C 0.849 177.548 176.519 0.300 0.000 1.241 271 W CA 0.837 58.253 57.345 0.118 0.000 1.328 271 W CB 0.280 29.767 29.460 0.045 0.000 1.092 271 W HN 0.628 nan 8.180 nan 0.000 0.586 272 G N 0.205 109.189 108.800 0.307 0.000 2.441 272 G HA2 0.457 4.414 3.960 -0.004 0.000 0.294 272 G HA3 0.457 4.414 3.960 -0.004 0.000 0.294 272 G C -2.245 172.692 174.900 0.062 0.000 1.393 272 G CA -0.390 44.779 45.100 0.115 0.000 0.796 272 G HN 0.468 nan 8.290 nan 0.000 0.494 273 L N -2.908 118.233 121.223 -0.137 0.000 2.540 273 L HA 0.875 5.213 4.340 -0.004 0.000 0.256 273 L C -1.388 175.146 176.870 -0.559 0.000 1.001 273 L CA -1.778 52.897 54.840 -0.275 0.000 0.843 273 L CB 0.872 42.861 42.059 -0.118 0.000 1.436 273 L HN 0.462 nan 8.230 nan 0.000 0.410 274 F N 0.379 120.212 119.950 -0.194 0.000 2.411 274 F HA 0.673 5.198 4.527 -0.004 0.000 0.355 274 F C 0.929 176.524 175.800 -0.342 0.000 1.117 274 F CA -0.073 57.751 58.000 -0.293 0.000 1.139 274 F CB 1.767 40.641 39.000 -0.210 0.000 1.120 274 F HN 0.619 nan 8.300 nan 0.000 0.493 275 S N 3.410 118.920 115.700 -0.317 0.000 2.456 275 S HA 0.529 4.997 4.470 -0.004 0.000 0.316 275 S C -0.918 173.389 174.600 -0.489 0.000 1.089 275 S CA -0.576 57.400 58.200 -0.373 0.000 1.101 275 S CB 0.249 63.257 63.200 -0.320 0.000 0.995 275 S HN 0.706 nan 8.310 nan 0.000 0.468 276 C N 5.106 124.070 119.300 -0.560 0.000 2.273 276 C HA 0.568 5.026 4.460 -0.004 0.000 0.328 276 C C 0.179 174.827 174.990 -0.570 0.000 1.275 276 C CA -0.696 57.924 59.018 -0.664 0.000 1.704 276 C CB -1.052 26.024 27.740 -1.106 0.000 2.326 276 C HN 0.931 nan 8.230 nan 0.000 0.517 277 H N 0.180 119.221 119.070 -0.047 0.000 2.616 277 H HA 0.651 5.205 4.556 -0.004 0.000 0.353 277 H C -0.536 174.999 175.328 0.345 0.000 1.170 277 H CA -0.303 55.821 56.048 0.127 0.000 1.212 277 H CB 1.399 31.216 29.762 0.093 0.000 1.653 277 H HN 0.791 nan 8.280 nan 0.000 0.537 278 H N 0.249 119.523 119.070 0.340 0.000 3.046 278 H HA 0.179 4.733 4.556 -0.003 0.000 0.361 278 H C -0.335 175.070 175.328 0.128 0.000 1.235 278 H CA -0.637 55.549 56.048 0.230 0.000 1.146 278 H CB 1.095 30.975 29.762 0.195 0.000 1.859 278 H HN 0.472 nan 8.280 nan 0.000 0.548 279 M N 0.750 120.304 119.600 -0.077 0.000 2.465 279 M HA 0.185 4.663 4.480 -0.004 0.000 0.249 279 M C 0.046 176.392 176.300 0.077 0.000 1.130 279 M CA 0.312 55.609 55.300 -0.004 0.000 1.067 279 M CB -0.763 31.791 32.600 -0.077 0.000 1.394 279 M HN 0.477 nan 8.290 nan 0.000 0.483 280 S N -0.474 115.360 115.700 0.225 0.000 2.570 280 S HA 0.706 5.174 4.470 -0.004 0.000 0.286 280 S C -2.930 171.797 174.600 0.213 0.000 1.099 280 S CA -1.619 56.706 58.200 0.209 0.000 0.913 280 S CB 1.839 65.131 63.200 0.154 0.000 1.085 280 S HN -0.102 nan 8.310 nan 0.000 0.480 281 P HA 0.241 nan 4.420 nan 0.000 0.260 281 P C -0.697 176.540 177.300 -0.105 0.000 1.207 281 P CA 0.162 63.267 63.100 0.008 0.000 0.780 281 P CB 0.158 31.868 31.700 0.016 0.000 0.789 282 K N 3.452 123.723 120.400 -0.215 0.000 2.238 282 K HA 0.749 5.066 4.320 -0.004 0.000 0.239 282 K C -1.272 175.188 176.600 -0.233 0.000 0.987 282 K CA -1.038 55.028 56.287 -0.368 0.000 0.857 282 K CB 1.048 33.045 32.500 -0.839 0.000 1.154 282 K HN 0.294 nan 8.250 nan 0.000 0.439 283 L N 3.186 124.280 121.223 -0.214 0.000 2.543 283 L HA 0.463 4.801 4.340 -0.004 0.000 0.265 283 L C -1.846 174.973 176.870 -0.084 0.000 0.945 283 L CA -0.671 54.079 54.840 -0.150 0.000 0.869 283 L CB 1.549 43.514 42.059 -0.157 0.000 1.294 283 L HN 0.575 nan 8.230 nan 0.000 0.405 284 I N 6.570 127.132 120.570 -0.013 0.000 2.362 284 I HA 0.496 4.663 4.170 -0.004 0.000 0.289 284 I C -2.079 174.067 176.117 0.049 0.000 0.994 284 I CA -1.989 59.344 61.300 0.055 0.000 1.158 284 I CB 1.573 39.682 38.000 0.181 0.000 1.315 284 I HN 0.429 nan 8.210 nan 0.000 0.451 285 P HA -0.042 nan 4.420 nan 0.000 0.268 285 P C 0.447 177.787 177.300 0.068 0.000 1.208 285 P CA 0.069 63.200 63.100 0.050 0.000 0.777 285 P CB 0.466 32.180 31.700 0.023 0.000 0.875 286 Y N 5.228 125.520 120.300 -0.013 0.000 2.030 286 Y HA -0.223 4.325 4.550 -0.003 0.000 0.274 286 Y C -0.797 175.062 175.900 -0.069 0.000 1.153 286 Y CA 2.660 60.746 58.100 -0.024 0.000 1.115 286 Y CB -2.021 36.427 38.460 -0.020 0.000 0.969 286 Y HN 0.438 nan 8.280 nan 0.000 0.488 287 P HA -0.154 nan 4.420 nan 0.000 0.220 287 P C 1.621 178.764 177.300 -0.262 0.000 1.148 287 P CA 1.757 64.799 63.100 -0.097 0.000 0.803 287 P CB -0.011 31.677 31.700 -0.019 0.000 0.782 288 V N -0.786 118.995 119.914 -0.221 0.000 2.951 288 V HA -0.041 4.076 4.120 -0.004 0.000 0.255 288 V C 2.481 178.295 176.094 -0.468 0.000 1.088 288 V CA 1.229 63.334 62.300 -0.325 0.000 1.109 288 V CB -0.821 30.919 31.823 -0.138 0.000 0.724 288 V HN 0.058 nan 8.190 nan 0.000 0.471 289 R N -0.372 119.979 120.500 -0.249 0.000 2.127 289 R HA 0.024 4.361 4.340 -0.004 0.000 0.217 289 R C 1.909 178.062 176.300 -0.246 0.000 1.074 289 R CA 0.818 56.867 56.100 -0.086 0.000 0.991 289 R CB 0.011 30.284 30.300 -0.044 0.000 0.895 289 R HN 0.322 nan 8.270 nan 0.000 0.450 290 M N -0.113 119.221 119.600 -0.443 0.000 2.618 290 M HA 0.020 4.498 4.480 -0.004 0.000 0.240 290 M C 1.945 177.978 176.300 -0.445 0.000 1.123 290 M CA 0.736 55.779 55.300 -0.428 0.000 1.060 290 M CB -0.536 31.758 32.600 -0.510 0.000 1.535 290 M HN -0.012 nan 8.290 nan 0.000 0.507 291 S N 0.705 116.007 115.700 -0.663 0.000 2.368 291 S HA -0.066 4.401 4.470 -0.004 0.000 0.224 291 S C 1.449 175.610 174.600 -0.732 0.000 1.029 291 S CA 1.004 58.626 58.200 -0.964 0.000 0.988 291 S CB -0.162 62.273 63.200 -1.274 0.000 0.838 291 S HN 0.406 nan 8.310 nan 0.000 0.462 292 F N 1.789 121.668 119.950 -0.118 0.000 2.802 292 F HA 0.340 4.865 4.527 -0.004 0.000 0.300 292 F C 2.153 177.968 175.800 0.025 0.000 1.168 292 F CA 0.033 58.078 58.000 0.074 0.000 1.433 292 F CB -0.588 38.493 39.000 0.134 0.000 1.115 292 F HN 0.319 nan 8.300 nan 0.000 0.582 293 Q N 0.493 120.308 119.800 0.025 0.000 2.515 293 Q HA 0.011 4.348 4.340 -0.004 0.000 0.214 293 Q C 1.659 177.659 176.000 0.002 0.000 0.971 293 Q CA 0.587 56.397 55.803 0.012 0.000 0.952 293 Q CB -0.007 28.688 28.738 -0.072 0.000 0.999 293 Q HN 0.539 nan 8.270 nan 0.000 0.524 294 I N -1.194 119.360 120.570 -0.026 0.000 4.032 294 I HA -0.040 4.127 4.170 -0.004 0.000 0.313 294 I C 0.592 176.691 176.117 -0.029 0.000 1.272 294 I CA 0.010 61.279 61.300 -0.052 0.000 1.307 294 I CB 0.290 38.245 38.000 -0.074 0.000 1.155 294 I HN 0.164 nan 8.210 nan 0.000 0.431 295 F N 0.509 120.561 119.950 0.170 0.000 2.456 295 F HA -0.073 4.451 4.527 -0.004 0.000 0.298 295 F C 2.805 178.674 175.800 0.115 0.000 1.104 295 F CA 0.900 58.942 58.000 0.070 0.000 1.435 295 F CB -0.859 38.129 39.000 -0.020 0.000 1.078 295 F HN -0.022 nan 8.300 nan 0.000 0.546 296 S N -0.107 115.778 115.700 0.308 0.000 2.356 296 S HA -0.210 4.258 4.470 -0.004 0.000 0.223 296 S C 1.964 176.680 174.600 0.193 0.000 1.032 296 S CA 1.573 59.942 58.200 0.283 0.000 1.005 296 S CB -0.191 63.134 63.200 0.209 0.000 0.867 296 S HN 0.501 nan 8.310 nan 0.000 0.449 297 Q N -0.115 119.761 119.800 0.127 0.000 2.062 297 Q HA 0.051 4.389 4.340 -0.004 0.000 0.196 297 Q C 2.286 178.330 176.000 0.073 0.000 0.967 297 Q CA 1.263 57.111 55.803 0.076 0.000 0.832 297 Q CB -0.540 28.222 28.738 0.041 0.000 0.899 297 Q HN 0.476 nan 8.270 nan 0.000 0.442 298 V N 0.300 120.269 119.914 0.092 0.000 2.828 298 V HA -0.255 3.863 4.120 -0.004 0.000 0.260 298 V C 1.724 177.873 176.094 0.092 0.000 1.101 298 V CA 1.403 63.754 62.300 0.085 0.000 1.123 298 V CB -0.243 31.649 31.823 0.115 0.000 0.704 298 V HN 0.515 nan 8.190 nan 0.000 0.493 299 C N -1.723 117.659 119.300 0.136 0.000 2.513 299 C HA 0.042 4.500 4.460 -0.004 0.000 0.292 299 C C 3.063 178.074 174.990 0.035 0.000 1.359 299 C CA 0.885 59.982 59.018 0.131 0.000 1.778 299 C CB -0.304 27.607 27.740 0.285 0.000 2.180 299 C HN 0.648 nan 8.230 nan 0.000 0.509 300 S N 1.258 116.983 115.700 0.041 0.000 2.383 300 S HA -0.139 4.329 4.470 -0.004 0.000 0.229 300 S C 1.862 176.399 174.600 -0.104 0.000 1.030 300 S CA 1.881 60.055 58.200 -0.044 0.000 1.002 300 S CB -0.206 62.998 63.200 0.007 0.000 0.829 300 S HN 0.589 nan 8.310 nan 0.000 0.467 301 A N 1.622 124.410 122.820 -0.053 0.000 1.835 301 A HA 0.179 4.497 4.320 -0.004 0.000 0.213 301 A C 2.146 179.681 177.584 -0.081 0.000 1.210 301 A CA 1.200 53.201 52.037 -0.060 0.000 0.605 301 A CB -0.937 18.047 19.000 -0.027 0.000 0.860 301 A HN 0.571 nan 8.150 nan 0.000 0.447 302 I N -0.023 120.512 120.570 -0.058 0.000 2.315 302 I HA -0.244 3.923 4.170 -0.004 0.000 0.251 302 I C 2.294 178.346 176.117 -0.109 0.000 1.125 302 I CA 1.099 62.361 61.300 -0.062 0.000 1.392 302 I CB -0.273 37.708 38.000 -0.032 0.000 1.065 302 I HN 0.154 nan 8.210 nan 0.000 0.424 303 V N 0.719 120.528 119.914 -0.176 0.000 2.379 303 V HA -0.255 3.863 4.120 -0.004 0.000 0.245 303 V C 2.497 178.381 176.094 -0.350 0.000 1.044 303 V CA 2.093 64.199 62.300 -0.324 0.000 1.036 303 V CB -0.449 31.007 31.823 -0.613 0.000 0.664 303 V HN 0.440 nan 8.190 nan 0.000 0.453 304 E N 1.261 121.279 120.200 -0.302 0.000 2.023 304 E HA -0.233 4.115 4.350 -0.004 0.000 0.196 304 E C 2.104 178.613 176.600 -0.151 0.000 1.003 304 E CA 1.470 57.726 56.400 -0.239 0.000 0.809 304 E CB -0.258 29.338 29.700 -0.173 0.000 0.755 304 E HN 0.428 nan 8.360 nan 0.000 0.449 305 R N 0.268 120.701 120.500 -0.112 0.000 2.346 305 R HA 0.017 4.354 4.340 -0.004 0.000 0.199 305 R C 1.565 177.825 176.300 -0.066 0.000 1.015 305 R CA 0.273 56.329 56.100 -0.074 0.000 1.058 305 R CB -0.562 29.704 30.300 -0.056 0.000 0.921 305 R HN 0.277 nan 8.270 nan 0.000 0.475 306 L N 0.456 121.628 121.223 -0.085 0.000 2.425 306 L HA 0.181 4.519 4.340 -0.004 0.000 0.215 306 L C 1.913 178.756 176.870 -0.046 0.000 1.065 306 L CA 1.365 56.169 54.840 -0.060 0.000 0.842 306 L CB 0.000 42.021 42.059 -0.064 0.000 1.033 306 L HN -0.074 nan 8.230 nan 0.000 0.474 307 E N -0.081 120.079 120.200 -0.067 0.000 2.021 307 E HA -0.212 4.136 4.350 -0.004 0.000 0.189 307 E C 1.892 178.478 176.600 -0.024 0.000 0.980 307 E CA 1.295 57.676 56.400 -0.031 0.000 0.803 307 E CB -0.105 29.571 29.700 -0.040 0.000 0.766 307 E HN 0.706 nan 8.360 nan 0.000 0.449 308 Q N -0.121 119.655 119.800 -0.040 0.000 2.197 308 Q HA -0.114 4.224 4.340 -0.004 0.000 0.207 308 Q C 1.829 177.816 176.000 -0.022 0.000 0.984 308 Q CA 1.795 57.581 55.803 -0.028 0.000 0.869 308 Q CB -0.480 28.236 28.738 -0.036 0.000 0.906 308 Q HN 0.146 nan 8.270 nan 0.000 0.426 309 G N 0.697 109.482 108.800 -0.024 0.000 2.777 309 G HA2 -0.089 3.868 3.960 -0.004 0.000 0.211 309 G HA3 -0.089 3.868 3.960 -0.004 0.000 0.211 309 G C 1.405 176.298 174.900 -0.012 0.000 1.149 309 G CA 0.173 45.262 45.100 -0.018 0.000 0.785 309 G HN 0.328 nan 8.290 nan 0.000 0.536 310 R N 0.852 121.347 120.500 -0.009 0.000 2.075 310 R HA 0.068 4.406 4.340 -0.004 0.000 0.226 310 R C 2.479 178.777 176.300 -0.002 0.000 1.114 310 R CA 1.133 57.233 56.100 -0.001 0.000 0.972 310 R CB -0.341 29.963 30.300 0.007 0.000 0.869 310 R HN 0.460 nan 8.270 nan 0.000 0.437 311 I N -1.544 119.024 120.570 -0.003 0.000 2.614 311 I HA 0.035 4.202 4.170 -0.004 0.000 0.258 311 I C 2.119 178.229 176.117 -0.011 0.000 1.189 311 I CA 1.290 62.586 61.300 -0.007 0.000 1.462 311 I CB -0.506 37.491 38.000 -0.005 0.000 1.092 311 I HN 0.071 nan 8.210 nan 0.000 0.442 312 A N 1.731 124.545 122.820 -0.010 0.000 1.933 312 A HA -0.242 4.076 4.320 -0.004 0.000 0.218 312 A C 2.278 179.856 177.584 -0.011 0.000 1.175 312 A CA 2.077 54.108 52.037 -0.011 0.000 0.628 312 A CB -0.573 18.420 19.000 -0.012 0.000 0.814 312 A HN 0.592 nan 8.150 nan 0.000 0.444 313 E N -0.031 120.164 120.200 -0.008 0.000 2.072 313 E HA -0.099 4.248 4.350 -0.004 0.000 0.190 313 E C 1.864 178.459 176.600 -0.009 0.000 0.982 313 E CA 0.759 57.155 56.400 -0.007 0.000 0.803 313 E CB -0.294 29.404 29.700 -0.004 0.000 0.755 313 E HN 0.377 nan 8.360 nan 0.000 0.453 314 L N 0.544 121.761 121.223 -0.010 0.000 2.021 314 L HA -0.240 4.097 4.340 -0.004 0.000 0.215 314 L C 2.466 179.325 176.870 -0.019 0.000 1.074 314 L CA 1.583 56.414 54.840 -0.014 0.000 0.760 314 L CB -1.048 41.001 42.059 -0.017 0.000 0.889 314 L HN 0.385 nan 8.230 nan 0.000 0.433 315 L N -1.028 120.184 121.223 -0.019 0.000 2.093 315 L HA -0.191 4.147 4.340 -0.004 0.000 0.208 315 L C 2.774 179.634 176.870 -0.018 0.000 1.085 315 L CA 1.157 55.984 54.840 -0.021 0.000 0.755 315 L CB -0.658 41.389 42.059 -0.020 0.000 0.904 315 L HN 0.368 nan 8.230 nan 0.000 0.435 316 R N 0.201 120.693 120.500 -0.014 0.000 2.070 316 R HA -0.143 4.194 4.340 -0.004 0.000 0.233 316 R C 2.218 178.511 176.300 -0.011 0.000 1.137 316 R CA 2.007 58.100 56.100 -0.012 0.000 0.945 316 R CB -0.164 30.130 30.300 -0.010 0.000 0.845 316 R HN 0.374 nan 8.270 nan 0.000 0.430 317 V N -1.595 118.314 119.914 -0.010 0.000 2.626 317 V HA -0.141 3.977 4.120 -0.004 0.000 0.252 317 V C 2.268 178.356 176.094 -0.009 0.000 1.067 317 V CA 1.990 64.285 62.300 -0.008 0.000 1.081 317 V CB -0.572 31.248 31.823 -0.004 0.000 0.686 317 V HN 0.255 nan 8.190 nan 0.000 0.468 318 S N 2.116 117.808 115.700 -0.014 0.000 2.363 318 S HA -0.250 4.217 4.470 -0.004 0.000 0.218 318 S C 2.104 176.695 174.600 -0.016 0.000 1.035 318 S CA 2.842 61.032 58.200 -0.018 0.000 1.043 318 S CB -0.967 62.216 63.200 -0.029 0.000 0.986 318 S HN 0.955 nan 8.310 nan 0.000 0.423 319 T N -1.326 113.218 114.554 -0.018 0.000 3.160 319 T HA 0.158 4.505 4.350 -0.004 0.000 0.257 319 T C 1.297 175.986 174.700 -0.017 0.000 1.147 319 T CA 1.200 63.289 62.100 -0.018 0.000 1.064 319 T CB -0.072 68.785 68.868 -0.019 0.000 0.949 319 T HN 0.482 nan 8.240 nan 0.000 0.526 320 E N 2.171 122.362 120.200 -0.015 0.000 2.099 320 E HA 0.041 4.389 4.350 -0.004 0.000 0.191 320 E C 2.317 178.906 176.600 -0.019 0.000 0.962 320 E CA 0.532 56.923 56.400 -0.016 0.000 0.826 320 E CB -0.023 29.669 29.700 -0.014 0.000 0.788 320 E HN 0.719 nan 8.360 nan 0.000 0.461 321 R N -0.226 120.266 120.500 -0.013 0.000 2.276 321 R HA 0.158 4.495 4.340 -0.004 0.000 0.203 321 R C 2.174 178.465 176.300 -0.014 0.000 1.017 321 R CA 0.478 56.570 56.100 -0.013 0.000 1.010 321 R CB -0.153 30.148 30.300 0.002 0.000 0.900 321 R HN -0.060 nan 8.270 nan 0.000 0.469 322 R N 0.908 121.399 120.500 -0.014 0.000 2.193 322 R HA 0.041 4.378 4.340 -0.004 0.000 0.213 322 R C 1.896 178.178 176.300 -0.030 0.000 1.055 322 R CA 0.766 56.855 56.100 -0.018 0.000 0.995 322 R CB -0.018 30.272 30.300 -0.017 0.000 0.893 322 R HN 0.392 nan 8.270 nan 0.000 0.459 323 L N -0.676 120.529 121.223 -0.030 0.000 2.354 323 L HA 0.187 4.524 4.340 -0.004 0.000 0.212 323 L C 1.852 178.696 176.870 -0.043 0.000 1.091 323 L CA 0.728 55.547 54.840 -0.035 0.000 0.828 323 L CB 0.017 42.058 42.059 -0.029 0.000 0.973 323 L HN 0.005 nan 8.230 nan 0.000 0.461 324 A N -0.165 122.627 122.820 -0.046 0.000 2.169 324 A HA -0.003 4.315 4.320 -0.004 0.000 0.212 324 A C 2.043 179.582 177.584 -0.075 0.000 1.153 324 A CA 0.589 52.587 52.037 -0.065 0.000 0.756 324 A CB -0.388 18.570 19.000 -0.070 0.000 0.813 324 A HN 0.461 nan 8.150 nan 0.000 0.471 325 L N -0.755 120.434 121.223 -0.057 0.000 2.127 325 L HA 0.046 4.384 4.340 -0.004 0.000 0.203 325 L C 2.428 179.253 176.870 -0.075 0.000 1.080 325 L CA 1.974 56.781 54.840 -0.055 0.000 0.768 325 L CB -1.114 40.922 42.059 -0.040 0.000 0.924 325 L HN 0.354 nan 8.230 nan 0.000 0.444 326 A N 1.756 124.533 122.820 -0.073 0.000 1.835 326 A HA -0.263 4.055 4.320 -0.004 0.000 0.215 326 A C 2.172 179.705 177.584 -0.085 0.000 1.199 326 A CA 1.928 53.916 52.037 -0.083 0.000 0.615 326 A CB -0.687 18.273 19.000 -0.065 0.000 0.838 326 A HN 0.617 nan 8.150 nan 0.000 0.444 327 R N -0.326 120.134 120.500 -0.067 0.000 2.200 327 R HA -0.071 4.266 4.340 -0.004 0.000 0.234 327 R C 1.926 178.185 176.300 -0.067 0.000 1.127 327 R CA 1.922 57.986 56.100 -0.060 0.000 0.989 327 R CB -0.457 29.814 30.300 -0.048 0.000 0.869 327 R HN 0.480 nan 8.270 nan 0.000 0.459 328 R N -0.447 120.008 120.500 -0.075 0.000 2.210 328 R HA 0.207 4.545 4.340 -0.004 0.000 0.203 328 R C 1.761 178.025 176.300 -0.061 0.000 1.010 328 R CA 0.879 56.943 56.100 -0.060 0.000 1.008 328 R CB 0.078 30.337 30.300 -0.069 0.000 0.923 328 R HN 0.401 nan 8.270 nan 0.000 0.469 329 A N 0.080 122.833 122.820 -0.111 0.000 1.956 329 A HA 0.048 4.366 4.320 -0.004 0.000 0.212 329 A C 1.735 179.156 177.584 -0.271 0.000 1.188 329 A CA 0.296 52.230 52.037 -0.171 0.000 0.675 329 A CB 0.017 18.894 19.000 -0.205 0.000 0.845 329 A HN 0.146 nan 8.150 nan 0.000 0.455 330 R N 0.207 120.553 120.500 -0.257 0.000 2.357 330 R HA -0.023 4.315 4.340 -0.004 0.000 0.202 330 R C 0.267 176.490 176.300 -0.127 0.000 1.047 330 R CA 0.881 56.800 56.100 -0.302 0.000 1.034 330 R CB -0.010 30.213 30.300 -0.127 0.000 0.875 330 R HN 0.413 nan 8.270 nan 0.000 0.473 331 D N -1.271 119.075 120.400 -0.090 0.000 2.380 331 D HA 0.116 4.753 4.640 -0.004 0.000 0.212 331 D C 1.028 177.333 176.300 0.010 0.000 1.021 331 D CA 0.732 54.722 54.000 -0.016 0.000 0.884 331 D CB 0.784 41.578 40.800 -0.010 0.000 1.001 331 D HN 0.216 nan 8.370 nan 0.000 0.506 332 A N -0.213 122.600 122.820 -0.012 0.000 2.425 332 A HA 0.187 4.504 4.320 -0.004 0.000 0.201 332 A C 0.203 177.798 177.584 0.018 0.000 1.431 332 A CA 0.339 52.389 52.037 0.022 0.000 1.066 332 A CB 0.436 19.451 19.000 0.025 0.000 1.318 332 A HN -0.005 nan 8.150 nan 0.000 0.534 333 D N 0.297 120.651 120.400 -0.076 0.000 2.689 333 D HA -0.167 4.471 4.640 -0.004 0.000 0.237 333 D C -0.760 175.519 176.300 -0.035 0.000 1.148 333 D CA 1.057 54.994 54.000 -0.105 0.000 0.656 333 D CB -0.882 39.932 40.800 0.023 0.000 1.050 333 D HN 0.373 nan 8.370 nan 0.000 0.426 334 D N -0.167 120.217 120.400 -0.026 0.000 2.392 334 D HA 0.325 4.963 4.640 -0.004 0.000 0.228 334 D C 0.931 177.195 176.300 -0.059 0.000 1.074 334 D CA -0.598 53.407 54.000 0.007 0.000 0.838 334 D CB 0.981 41.825 40.800 0.073 0.000 1.067 334 D HN 0.103 nan 8.370 nan 0.000 0.511 335 L N 3.194 124.301 121.223 -0.193 0.000 2.095 335 L HA 0.075 4.412 4.340 -0.004 0.000 0.204 335 L C 2.028 178.796 176.870 -0.169 0.000 1.080 335 L CA 0.869 55.556 54.840 -0.255 0.000 0.759 335 L CB -0.553 41.255 42.059 -0.417 0.000 0.914 335 L HN 0.477 nan 8.230 nan 0.000 0.439 336 F N 0.303 120.249 119.950 -0.007 0.000 2.111 336 F HA -0.306 4.219 4.527 -0.004 0.000 0.300 336 F C 2.455 178.249 175.800 -0.010 0.000 1.088 336 F CA 1.383 59.384 58.000 0.002 0.000 1.243 336 F CB -1.134 37.870 39.000 0.008 0.000 0.996 336 F HN 0.176 nan 8.300 nan 0.000 0.483 337 G N -0.949 107.945 108.800 0.156 0.000 2.408 337 G HA2 -0.069 3.889 3.960 -0.004 0.000 0.217 337 G HA3 -0.069 3.889 3.960 -0.004 0.000 0.217 337 G C 1.682 176.613 174.900 0.051 0.000 1.150 337 G CA 0.707 45.839 45.100 0.053 0.000 0.776 337 G HN 0.474 nan 8.290 nan 0.000 0.542 338 A N -0.239 122.644 122.820 0.105 0.000 2.095 338 A HA 0.449 4.766 4.320 -0.004 0.000 0.212 338 A C 2.157 179.822 177.584 0.134 0.000 1.162 338 A CA 0.089 52.246 52.037 0.201 0.000 0.753 338 A CB -0.042 19.004 19.000 0.077 0.000 0.840 338 A HN 0.297 nan 8.150 nan 0.000 0.468 339 L N -1.212 120.045 121.223 0.057 0.000 2.418 339 L HA 0.072 4.409 4.340 -0.004 0.000 0.218 339 L C 1.867 178.783 176.870 0.075 0.000 1.125 339 L CA 0.890 55.750 54.840 0.034 0.000 0.835 339 L CB 0.057 42.102 42.059 -0.024 0.000 0.953 339 L HN 0.408 nan 8.230 nan 0.000 0.454 340 A N -2.198 120.678 122.820 0.093 0.000 2.631 340 A HA 0.188 4.505 4.320 -0.004 0.000 0.294 340 A C -0.144 177.479 177.584 0.065 0.000 1.156 340 A CA -0.451 51.635 52.037 0.082 0.000 0.963 340 A CB -0.448 18.599 19.000 0.078 0.000 1.202 340 A HN 0.233 nan 8.150 nan 0.000 0.523 341 H N 0.955 120.052 119.070 0.045 0.000 2.929 341 H HA 0.124 4.677 4.556 -0.004 0.000 0.358 341 H C -1.291 174.064 175.328 0.045 0.000 1.111 341 H CA -0.029 56.042 56.048 0.039 0.000 1.409 341 H CB 0.746 30.524 29.762 0.027 0.000 1.373 341 H HN 0.155 nan 8.280 nan 0.000 0.610 342 P HA -0.198 nan 4.420 nan 0.000 0.209 342 P C 0.189 177.556 177.300 0.111 0.000 1.167 342 P CA 1.865 65.032 63.100 0.111 0.000 0.941 342 P CB 0.249 32.012 31.700 0.106 0.000 0.787 343 D N -2.566 117.899 120.400 0.109 0.000 2.369 343 D HA 0.006 4.643 4.640 -0.004 0.000 0.211 343 D C 1.050 177.399 176.300 0.081 0.000 1.077 343 D CA 0.313 54.364 54.000 0.084 0.000 0.842 343 D CB -0.127 40.710 40.800 0.062 0.000 0.947 343 D HN 0.141 nan 8.370 nan 0.000 0.509 344 D N 0.094 120.552 120.400 0.096 0.000 2.423 344 D HA 0.090 4.727 4.640 -0.004 0.000 0.208 344 D C 1.335 177.695 176.300 0.101 0.000 1.068 344 D CA 0.139 54.181 54.000 0.070 0.000 0.860 344 D CB 0.532 41.336 40.800 0.007 0.000 0.992 344 D HN 0.125 nan 8.370 nan 0.000 0.504 345 G N 1.517 110.401 108.800 0.139 0.000 2.750 345 G HA2 0.074 4.031 3.960 -0.004 0.000 0.250 345 G HA3 0.074 4.031 3.960 -0.004 0.000 0.250 345 G C 1.405 176.391 174.900 0.144 0.000 1.230 345 G CA -0.398 44.783 45.100 0.135 0.000 0.883 345 G HN 0.233 nan 8.290 nan 0.000 0.573 346 I N -1.931 118.719 120.570 0.132 0.000 3.010 346 I HA -0.010 4.158 4.170 -0.004 0.000 0.271 346 I C 2.314 178.598 176.117 0.280 0.000 1.293 346 I CA 1.218 62.645 61.300 0.211 0.000 1.452 346 I CB -0.345 37.632 38.000 -0.039 0.000 1.082 346 I HN 0.338 nan 8.210 nan 0.000 0.484 347 A N 1.567 124.496 122.820 0.181 0.000 1.933 347 A HA 0.122 4.440 4.320 -0.004 0.000 0.218 347 A C 2.442 180.164 177.584 0.230 0.000 1.175 347 A CA 1.692 53.845 52.037 0.194 0.000 0.628 347 A CB -0.569 18.518 19.000 0.144 0.000 0.814 347 A HN 0.604 nan 8.150 nan 0.000 0.444 348 A N -1.503 121.434 122.820 0.196 0.000 2.303 348 A HA 0.415 4.732 4.320 -0.004 0.000 0.217 348 A C 1.769 179.434 177.584 0.135 0.000 1.205 348 A CA 0.182 52.308 52.037 0.147 0.000 0.875 348 A CB -0.203 18.860 19.000 0.106 0.000 0.910 348 A HN 0.343 nan 8.150 nan 0.000 0.501 349 L N 0.442 121.782 121.223 0.195 0.000 1.956 349 L HA -0.009 4.328 4.340 -0.004 0.000 0.216 349 L C 0.733 177.598 176.870 -0.009 0.000 1.073 349 L CA 2.005 56.916 54.840 0.119 0.000 0.762 349 L CB -0.607 41.590 42.059 0.229 0.000 0.889 349 L HN 0.343 nan 8.230 nan 0.000 0.433 350 I N -0.262 120.257 120.570 -0.086 0.000 2.493 350 I HA 0.237 4.405 4.170 -0.004 0.000 0.298 350 I C -2.155 173.961 176.117 -0.000 0.000 0.998 350 I CA -2.105 59.093 61.300 -0.170 0.000 1.137 350 I CB 1.432 39.130 38.000 -0.504 0.000 1.310 350 I HN 0.012 nan 8.210 nan 0.000 0.445 351 P HA 0.008 nan 4.420 nan 0.000 0.258 351 P C -0.883 176.454 177.300 0.063 0.000 1.187 351 P CA -0.041 63.076 63.100 0.029 0.000 0.767 351 P CB 0.060 31.749 31.700 -0.018 0.000 0.770 352 C N 1.227 120.605 119.300 0.131 0.000 3.239 352 C HA 0.442 4.899 4.460 -0.004 0.000 0.317 352 C C 0.568 175.656 174.990 0.163 0.000 1.310 352 C CA -0.678 58.448 59.018 0.181 0.000 1.371 352 C CB 1.770 29.725 27.740 0.359 0.000 1.714 352 C HN 0.371 nan 8.230 nan 0.000 0.473 353 D N 0.664 121.160 120.400 0.159 0.000 2.339 353 D HA 0.428 5.066 4.640 -0.004 0.000 0.217 353 D C 0.826 177.294 176.300 0.281 0.000 1.050 353 D CA 1.515 55.643 54.000 0.214 0.000 0.856 353 D CB 0.742 41.681 40.800 0.231 0.000 0.922 353 D HN 1.257 nan 8.370 nan 0.000 0.518 354 G N -0.588 108.311 108.800 0.165 0.000 2.361 354 G HA2 0.527 4.484 3.960 -0.004 0.000 0.299 354 G HA3 0.527 4.484 3.960 -0.004 0.000 0.299 354 G C -1.766 173.016 174.900 -0.197 0.000 1.544 354 G CA -0.170 44.954 45.100 0.041 0.000 0.860 354 G HN 0.192 nan 8.290 nan 0.000 0.610 355 A N 0.134 122.858 122.820 -0.159 0.000 2.530 355 A HA 0.988 5.306 4.320 -0.004 0.000 0.288 355 A C -1.472 176.077 177.584 -0.060 0.000 1.172 355 A CA -0.869 51.055 52.037 -0.189 0.000 0.733 355 A CB 2.199 21.070 19.000 -0.216 0.000 1.320 355 A HN 1.963 nan 8.150 nan 0.000 0.419 356 L N 0.743 121.934 121.223 -0.053 0.000 2.565 356 L HA 0.627 4.965 4.340 -0.004 0.000 0.261 356 L C -1.959 175.009 176.870 0.164 0.000 0.932 356 L CA -0.352 54.571 54.840 0.138 0.000 0.878 356 L CB 1.497 43.714 42.059 0.263 0.000 1.333 356 L HN 0.600 nan 8.230 nan 0.000 0.409 357 V N 5.638 125.679 119.914 0.212 0.000 2.555 357 V HA 0.560 4.677 4.120 -0.004 0.000 0.302 357 V C -0.199 176.116 176.094 0.369 0.000 1.038 357 V CA -0.390 62.075 62.300 0.275 0.000 0.887 357 V CB 2.089 34.068 31.823 0.259 0.000 0.991 357 V HN 0.840 nan 8.190 nan 0.000 0.434 358 M N 5.947 125.773 119.600 0.377 0.000 2.142 358 M HA 0.668 5.145 4.480 -0.004 0.000 0.299 358 M C -1.995 174.476 176.300 0.285 0.000 0.960 358 M CA -0.596 54.914 55.300 0.350 0.000 0.920 358 M CB 1.538 34.385 32.600 0.411 0.000 1.541 358 M HN 0.536 nan 8.290 nan 0.000 0.429 359 L N 4.686 126.102 121.223 0.322 0.000 2.526 359 L HA 0.781 5.119 4.340 -0.004 0.000 0.263 359 L C 0.203 177.218 176.870 0.241 0.000 0.943 359 L CA 0.853 55.837 54.840 0.239 0.000 0.859 359 L CB 1.840 44.006 42.059 0.178 0.000 1.313 359 L HN 0.885 nan 8.230 nan 0.000 0.406 360 G N 3.704 112.591 108.800 0.145 0.000 2.602 360 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.310 360 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.310 360 G C 0.670 175.643 174.900 0.121 0.000 1.183 360 G CA 0.473 45.647 45.100 0.124 0.000 0.979 360 G HN 1.595 nan 8.290 nan 0.000 0.545 361 G N -0.011 108.853 108.800 0.107 0.000 2.939 361 G HA2 0.436 4.393 3.960 -0.004 0.000 0.216 361 G HA3 0.436 4.393 3.960 -0.004 0.000 0.216 361 G C 0.798 175.737 174.900 0.065 0.000 1.125 361 G CA 0.635 45.781 45.100 0.077 0.000 0.766 361 G HN 0.679 nan 8.290 nan 0.000 0.541 362 R N 0.994 121.543 120.500 0.081 0.000 2.410 362 R HA 0.522 4.860 4.340 -0.004 0.000 0.288 362 R C -0.600 175.730 176.300 0.051 0.000 1.051 362 R CA 0.133 56.223 56.100 -0.016 0.000 1.021 362 R CB 0.999 31.175 30.300 -0.207 0.000 1.032 362 R HN 0.183 nan 8.270 nan 0.000 0.481 363 T N 0.277 114.822 114.554 -0.015 0.000 3.011 363 T HA 0.414 4.762 4.350 -0.004 0.000 0.303 363 T C -0.518 174.177 174.700 -0.008 0.000 0.997 363 T CA -1.053 61.083 62.100 0.060 0.000 1.007 363 T CB 0.735 69.652 68.868 0.082 0.000 1.017 363 T HN 0.547 nan 8.240 nan 0.000 0.443 364 L N 0.713 121.952 121.223 0.025 0.000 2.325 364 L HA 0.856 5.194 4.340 -0.004 0.000 0.281 364 L C -0.644 176.286 176.870 0.100 0.000 1.004 364 L CA -0.729 54.120 54.840 0.016 0.000 0.823 364 L CB 1.822 43.860 42.059 -0.034 0.000 1.236 364 L HN 0.561 nan 8.230 nan 0.000 0.415 365 S N 5.948 121.711 115.700 0.104 0.000 2.452 365 S HA 0.550 5.018 4.470 -0.004 0.000 0.284 365 S C 0.140 174.856 174.600 0.195 0.000 1.171 365 S CA -0.637 57.679 58.200 0.193 0.000 1.064 365 S CB 0.677 64.010 63.200 0.222 0.000 0.967 365 S HN 0.641 nan 8.310 nan 0.000 0.484 366 I N 1.064 121.761 120.570 0.212 0.000 2.365 366 I HA 0.519 4.687 4.170 -0.004 0.000 0.291 366 I C 0.795 177.091 176.117 0.298 0.000 1.004 366 I CA -0.705 60.708 61.300 0.188 0.000 1.311 366 I CB 0.369 38.446 38.000 0.129 0.000 1.401 366 I HN 0.678 nan 8.210 nan 0.000 0.491 367 R N 2.960 123.606 120.500 0.242 0.000 3.862 367 R HA -0.099 4.238 4.340 -0.004 0.000 0.398 367 R C 0.355 176.774 176.300 0.197 0.000 1.110 367 R CA 0.550 56.816 56.100 0.276 0.000 1.010 367 R CB -1.787 28.750 30.300 0.395 0.000 1.613 367 R HN 1.406 nan 8.270 nan 0.000 0.530 368 G N 0.216 109.063 108.800 0.078 0.000 2.462 368 G HA2 -0.126 3.831 3.960 -0.004 0.000 0.685 368 G HA3 -0.126 3.831 3.960 -0.004 0.000 0.685 368 G C -1.262 173.449 174.900 -0.315 0.000 1.295 368 G CA -0.429 44.580 45.100 -0.153 0.000 0.941 368 G HN 0.080 nan 8.290 nan 0.000 0.554 369 D N 0.183 120.372 120.400 -0.351 0.000 2.402 369 D HA 0.380 5.018 4.640 -0.004 0.000 0.268 369 D C 0.510 176.487 176.300 -0.538 0.000 1.294 369 D CA 0.573 54.385 54.000 -0.314 0.000 0.945 369 D CB 0.099 40.760 40.800 -0.233 0.000 1.112 369 D HN 0.327 nan 8.370 nan 0.000 0.517 370 F N 0.140 119.981 119.950 -0.183 0.000 2.831 370 F HA 0.075 4.600 4.527 -0.004 0.000 0.334 370 F C 1.990 177.614 175.800 -0.294 0.000 1.071 370 F CA -0.293 57.495 58.000 -0.355 0.000 1.172 370 F CB 0.232 39.039 39.000 -0.323 0.000 1.054 370 F HN 0.284 nan 8.300 nan 0.000 0.572 371 E N 0.773 120.960 120.200 -0.022 0.000 2.051 371 E HA -0.220 4.128 4.350 -0.004 0.000 0.192 371 E C 2.204 178.750 176.600 -0.090 0.000 0.991 371 E CA 1.208 57.576 56.400 -0.052 0.000 0.799 371 E CB -0.481 29.205 29.700 -0.023 0.000 0.748 371 E HN 0.261 nan 8.360 nan 0.000 0.449 372 R N 0.538 120.989 120.500 -0.082 0.000 2.159 372 R HA -0.181 4.157 4.340 -0.004 0.000 0.237 372 R C 2.380 178.649 176.300 -0.052 0.000 1.131 372 R CA 1.849 57.913 56.100 -0.061 0.000 0.982 372 R CB -0.079 30.189 30.300 -0.053 0.000 0.868 372 R HN 0.456 nan 8.270 nan 0.000 0.453 373 Q N -0.833 118.911 119.800 -0.092 0.000 2.204 373 Q HA 0.003 4.340 4.340 -0.004 0.000 0.198 373 Q C 1.822 177.756 176.000 -0.111 0.000 0.946 373 Q CA 0.834 56.596 55.803 -0.068 0.000 0.859 373 Q CB 0.086 28.706 28.738 -0.197 0.000 0.946 373 Q HN 0.350 nan 8.270 nan 0.000 0.474 374 A N 0.697 123.385 122.820 -0.220 0.000 1.940 374 A HA -0.132 4.186 4.320 -0.004 0.000 0.219 374 A C 2.213 179.602 177.584 -0.325 0.000 1.176 374 A CA 1.651 53.404 52.037 -0.474 0.000 0.631 374 A CB -1.313 17.264 19.000 -0.705 0.000 0.814 374 A HN 0.584 nan 8.150 nan 0.000 0.446 375 G N -0.263 108.435 108.800 -0.170 0.000 2.462 375 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.220 375 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.220 375 G C 1.261 176.125 174.900 -0.059 0.000 1.121 375 G CA 0.973 46.015 45.100 -0.097 0.000 0.758 375 G HN 0.572 nan 8.290 nan 0.000 0.559 376 N N 0.144 118.838 118.700 -0.010 0.000 2.467 376 N HA -0.008 4.730 4.740 -0.004 0.000 0.184 376 N C 1.983 177.548 175.510 0.091 0.000 1.106 376 N CA 0.443 53.534 53.050 0.068 0.000 0.892 376 N CB 0.567 39.160 38.487 0.176 0.000 0.969 376 N HN 0.262 nan 8.380 nan 0.000 0.454 377 V N 0.117 120.036 119.914 0.008 0.000 3.052 377 V HA 0.010 4.127 4.120 -0.004 0.000 0.254 377 V C 1.836 177.832 176.094 -0.163 0.000 1.100 377 V CA 0.671 62.964 62.300 -0.013 0.000 1.112 377 V CB -0.049 31.791 31.823 0.028 0.000 0.738 377 V HN 0.094 nan 8.190 nan 0.000 0.469 378 L N 0.087 121.202 121.223 -0.180 0.000 2.446 378 L HA 0.104 4.442 4.340 -0.004 0.000 0.219 378 L C 2.293 179.092 176.870 -0.120 0.000 1.116 378 L CA 1.380 56.087 54.840 -0.223 0.000 0.844 378 L CB -0.778 41.154 42.059 -0.212 0.000 0.970 378 L HN 0.397 nan 8.230 nan 0.000 0.457 379 Q N -0.338 119.417 119.800 -0.076 0.000 2.331 379 Q HA -0.146 4.192 4.340 -0.004 0.000 0.203 379 Q C 2.163 178.133 176.000 -0.049 0.000 0.944 379 Q CA 0.756 56.533 55.803 -0.044 0.000 0.892 379 Q CB 0.256 28.982 28.738 -0.020 0.000 0.983 379 Q HN 0.405 nan 8.270 nan 0.000 0.482 380 R N -0.306 120.152 120.500 -0.071 0.000 2.223 380 R HA 0.121 4.459 4.340 -0.004 0.000 0.198 380 R C 1.576 177.800 176.300 -0.127 0.000 0.984 380 R CA 0.184 56.236 56.100 -0.081 0.000 1.018 380 R CB 0.242 30.502 30.300 -0.066 0.000 0.945 380 R HN 0.289 nan 8.270 nan 0.000 0.479 381 L N 0.789 121.912 121.223 -0.167 0.000 2.558 381 L HA 0.051 4.388 4.340 -0.004 0.000 0.225 381 L C 1.585 178.420 176.870 -0.059 0.000 1.128 381 L CA 0.067 54.815 54.840 -0.154 0.000 0.868 381 L CB 0.036 41.965 42.059 -0.217 0.000 1.006 381 L HN 0.195 nan 8.230 nan 0.000 0.454 382 Q N 0.306 120.078 119.800 -0.046 0.000 2.226 382 Q HA -0.114 4.224 4.340 -0.004 0.000 0.204 382 Q C 2.025 178.020 176.000 -0.009 0.000 0.975 382 Q CA 1.097 56.892 55.803 -0.014 0.000 0.866 382 Q CB -0.050 28.680 28.738 -0.013 0.000 0.915 382 Q HN 0.378 nan 8.270 nan 0.000 0.440 383 R N 0.193 120.681 120.500 -0.021 0.000 2.240 383 R HA 0.043 4.381 4.340 -0.004 0.000 0.203 383 R C -0.034 176.261 176.300 -0.009 0.000 1.011 383 R CA 0.319 56.411 56.100 -0.014 0.000 1.007 383 R CB 0.323 30.612 30.300 -0.018 0.000 0.911 383 R HN 0.054 nan 8.270 nan 0.000 0.468 384 D N 0.329 120.722 120.400 -0.012 0.000 2.468 384 D HA 0.172 4.809 4.640 -0.004 0.000 0.272 384 D C -1.814 174.497 176.300 0.018 0.000 1.221 384 D CA -1.883 52.116 54.000 -0.001 0.000 0.860 384 D CB 1.425 42.220 40.800 -0.009 0.000 1.190 384 D HN -0.092 nan 8.370 nan 0.000 0.509 385 P HA -0.048 nan 4.420 nan 0.000 0.222 385 P C 0.771 178.095 177.300 0.039 0.000 1.153 385 P CA 0.506 63.634 63.100 0.047 0.000 0.798 385 P CB 0.591 32.311 31.700 0.032 0.000 0.796 386 E N -0.202 120.012 120.200 0.023 0.000 2.510 386 E HA -0.078 4.270 4.350 -0.004 0.000 0.202 386 E C 0.501 177.115 176.600 0.022 0.000 1.072 386 E CA 0.377 56.785 56.400 0.013 0.000 0.883 386 E CB -0.388 29.317 29.700 0.009 0.000 0.818 386 E HN 0.326 nan 8.360 nan 0.000 0.548 387 R N 0.815 121.345 120.500 0.049 0.000 2.221 387 R HA 0.093 4.431 4.340 -0.004 0.000 0.327 387 R C -0.297 176.058 176.300 0.092 0.000 1.033 387 R CA -0.229 55.918 56.100 0.078 0.000 0.887 387 R CB 1.036 31.395 30.300 0.099 0.000 1.057 387 R HN 0.029 nan 8.270 nan 0.000 0.455 388 D N 1.789 122.212 120.400 0.038 0.000 2.323 388 D HA 0.136 4.773 4.640 -0.004 0.000 0.218 388 D C 0.627 176.940 176.300 0.023 0.000 0.973 388 D CA 0.905 54.877 54.000 -0.046 0.000 0.890 388 D CB 0.461 41.217 40.800 -0.074 0.000 1.011 388 D HN 0.392 nan 8.370 nan 0.000 0.499 389 I N -0.412 120.211 120.570 0.089 0.000 2.648 389 I HA 0.401 4.568 4.170 -0.004 0.000 0.304 389 I C -1.205 175.031 176.117 0.198 0.000 1.009 389 I CA -1.216 60.159 61.300 0.125 0.000 1.114 389 I CB 2.002 40.046 38.000 0.074 0.000 1.293 389 I HN -0.189 nan 8.210 nan 0.000 0.449 390 Y N 5.592 125.895 120.300 0.006 0.000 2.348 390 Y HA 0.396 4.944 4.550 -0.004 0.000 0.321 390 Y C -1.402 174.410 175.900 -0.146 0.000 1.163 390 Y CA -0.638 57.407 58.100 -0.091 0.000 1.070 390 Y CB 1.119 39.556 38.460 -0.038 0.000 1.250 390 Y HN 0.641 nan 8.280 nan 0.000 0.425 391 H N 3.169 121.774 119.070 -0.776 0.000 2.806 391 H HA 0.783 5.337 4.556 -0.004 0.000 0.367 391 H C -1.750 173.201 175.328 -0.628 0.000 1.136 391 H CA -0.874 54.692 56.048 -0.804 0.000 1.178 391 H CB 2.620 31.970 29.762 -0.686 0.000 1.718 391 H HN 0.688 nan 8.280 nan 0.000 0.540 392 T N 1.001 115.432 114.554 -0.206 0.000 2.840 392 T HA 0.158 4.506 4.350 -0.004 0.000 0.317 392 T C -0.884 174.017 174.700 0.334 0.000 1.401 392 T CA -0.555 61.576 62.100 0.051 0.000 1.028 392 T CB 1.615 70.435 68.868 -0.080 0.000 1.317 392 T HN 0.701 nan 8.240 nan 0.000 0.495 393 D N 2.273 122.818 120.400 0.243 0.000 2.440 393 D HA 0.302 4.940 4.640 -0.004 0.000 0.216 393 D C -0.337 176.034 176.300 0.118 0.000 1.150 393 D CA 0.079 54.192 54.000 0.187 0.000 0.832 393 D CB 0.359 41.259 40.800 0.166 0.000 0.992 393 D HN 0.510 nan 8.370 nan 0.000 0.502 394 N N -0.377 118.410 118.700 0.146 0.000 2.732 394 N HA 0.609 5.347 4.740 -0.004 0.000 0.259 394 N C -1.390 174.316 175.510 0.327 0.000 1.402 394 N CA -0.924 52.194 53.050 0.113 0.000 0.829 394 N CB 2.335 40.829 38.487 0.012 0.000 1.495 394 N HN 0.071 nan 8.380 nan 0.000 0.511 409 C N 1.177 120.582 119.300 0.175 0.000 2.509 409 C HA 0.546 5.003 4.460 -0.004 0.000 0.301 409 C C 1.238 176.327 174.990 0.165 0.000 1.317 409 C CA 0.361 59.512 59.018 0.221 0.000 1.667 409 C CB -1.770 26.090 27.740 0.200 0.000 1.717 409 C HN 1.038 nan 8.230 nan 0.000 0.595 410 G N 0.376 109.261 108.800 0.142 0.000 2.605 410 G HA2 0.585 4.543 3.960 -0.004 0.000 0.304 410 G HA3 0.585 4.543 3.960 -0.004 0.000 0.304 410 G C -1.107 174.021 174.900 0.379 0.000 1.333 410 G CA -0.074 45.178 45.100 0.252 0.000 0.973 410 G HN 0.257 nan 8.290 nan 0.000 0.507 411 V N 3.983 124.121 119.914 0.374 0.000 2.569 411 V HA 0.487 4.605 4.120 -0.004 0.000 0.301 411 V C -0.410 175.535 176.094 -0.249 0.000 1.044 411 V CA -0.813 61.514 62.300 0.046 0.000 0.874 411 V CB 1.866 33.694 31.823 0.008 0.000 1.002 411 V HN 0.677 nan 8.190 nan 0.000 0.424 412 L N 4.206 125.166 121.223 -0.439 0.000 2.356 412 L HA 0.933 5.270 4.340 -0.004 0.000 0.277 412 L C -0.300 176.474 176.870 -0.160 0.000 0.996 412 L CA -0.448 54.052 54.840 -0.566 0.000 0.822 412 L CB 1.867 43.283 42.059 -1.071 0.000 1.256 412 L HN 0.811 nan 8.230 nan 0.000 0.413 413 A N 6.566 129.310 122.820 -0.126 0.000 2.353 413 A HA 0.703 5.021 4.320 -0.004 0.000 0.299 413 A C -0.928 176.726 177.584 0.115 0.000 1.089 413 A CA -0.556 51.351 52.037 -0.217 0.000 0.736 413 A CB 1.266 20.052 19.000 -0.357 0.000 1.195 413 A HN 0.698 nan 8.150 nan 0.000 0.447 414 I N -0.545 120.080 120.570 0.091 0.000 2.569 414 I HA 0.806 4.974 4.170 -0.004 0.000 0.296 414 I C -0.323 175.647 176.117 -0.244 0.000 1.028 414 I CA -0.932 60.396 61.300 0.047 0.000 1.082 414 I CB 1.984 40.034 38.000 0.084 0.000 1.264 414 I HN 0.676 nan 8.210 nan 0.000 0.429 415 R N 4.726 124.821 120.500 -0.675 0.000 2.387 415 R HA 0.481 4.819 4.340 -0.004 0.000 0.314 415 R C -0.703 175.247 176.300 -0.583 0.000 0.958 415 R CA -0.612 54.765 56.100 -1.206 0.000 0.846 415 R CB 1.064 30.253 30.300 -1.851 0.000 1.147 415 R HN 0.860 nan 8.270 nan 0.000 0.447 416 F N 0.765 120.503 119.950 -0.353 0.000 2.706 416 F HA 0.433 4.958 4.527 -0.004 0.000 0.313 416 F C -0.133 175.619 175.800 -0.079 0.000 1.096 416 F CA -0.619 57.275 58.000 -0.177 0.000 1.219 416 F CB 0.483 39.416 39.000 -0.113 0.000 1.051 416 F HN 0.328 nan 8.300 nan 0.000 0.568 417 H N 1.117 119.959 119.070 -0.381 0.000 3.128 417 H HA 0.410 4.964 4.556 -0.004 0.000 0.336 417 H C 0.013 175.169 175.328 -0.287 0.000 1.026 417 H CA -0.477 55.448 56.048 -0.204 0.000 1.376 417 H CB 1.625 31.342 29.762 -0.075 0.000 1.882 417 H HN 0.109 nan 8.280 nan 0.000 0.479 418 R N 1.963 122.242 120.500 -0.369 0.000 2.064 418 R HA -0.029 4.309 4.340 -0.004 0.000 0.221 418 R C 1.886 178.106 176.300 -0.135 0.000 1.136 418 R CA 0.952 56.907 56.100 -0.242 0.000 0.980 418 R CB 0.262 30.438 30.300 -0.206 0.000 0.876 418 R HN 0.575 nan 8.270 nan 0.000 0.437 419 Q N 1.059 120.753 119.800 -0.176 0.000 1.956 419 Q HA -0.145 4.193 4.340 -0.004 0.000 0.208 419 Q C -0.044 176.010 176.000 0.091 0.000 0.998 419 Q CA 1.451 57.235 55.803 -0.033 0.000 0.855 419 Q CB 0.025 28.741 28.738 -0.035 0.000 0.928 419 Q HN 0.283 nan 8.270 nan 0.000 0.418 420 E N 1.436 121.799 120.200 0.271 0.000 2.129 420 E HA 0.108 4.456 4.350 -0.004 0.000 0.283 420 E C -0.763 175.942 176.600 0.176 0.000 1.080 420 E CA -0.316 56.218 56.400 0.224 0.000 0.867 420 E CB 0.836 30.629 29.700 0.155 0.000 1.056 420 E HN 0.207 nan 8.360 nan 0.000 0.404 421 S N 2.228 117.988 115.700 0.101 0.000 2.670 421 S HA 0.092 4.560 4.470 -0.004 0.000 0.308 421 S C 0.453 175.031 174.600 -0.036 0.000 1.232 421 S CA -0.562 57.679 58.200 0.069 0.000 1.126 421 S CB 0.388 63.723 63.200 0.224 0.000 0.897 421 S HN 0.549 nan 8.310 nan 0.000 0.508 422 G N 3.585 112.150 108.800 -0.391 0.000 2.671 422 G HA2 0.537 4.494 3.960 -0.004 0.000 0.318 422 G HA3 0.537 4.494 3.960 -0.004 0.000 0.318 422 G C -1.004 173.100 174.900 -1.327 0.000 1.250 422 G CA -0.966 43.604 45.100 -0.883 0.000 1.028 422 G HN 0.717 nan 8.290 nan 0.000 0.501 423 W N 1.331 122.275 121.300 -0.593 0.000 2.820 423 W HA 0.760 5.418 4.660 -0.004 0.000 0.350 423 W C -0.126 176.261 176.519 -0.220 0.000 1.116 423 W CA -0.850 56.234 57.345 -0.434 0.000 1.146 423 W CB 2.197 31.516 29.460 -0.236 0.000 1.433 423 W HN 0.177 nan 8.180 nan 0.000 0.561 424 I N 1.582 122.104 120.570 -0.080 0.000 2.686 424 I HA 0.471 4.639 4.170 -0.004 0.000 0.295 424 I C -1.325 174.399 176.117 -0.655 0.000 1.114 424 I CA -0.989 60.200 61.300 -0.185 0.000 1.038 424 I CB 1.922 39.864 38.000 -0.097 0.000 1.238 424 I HN 0.161 nan 8.210 nan 0.000 0.420 425 F N 2.740 122.352 119.950 -0.563 0.000 2.576 425 F HA 0.571 5.096 4.527 -0.004 0.000 0.313 425 F C -1.209 173.913 175.800 -1.129 0.000 1.078 425 F CA -0.498 57.061 58.000 -0.736 0.000 0.921 425 F CB 1.953 40.599 39.000 -0.589 0.000 1.232 425 F HN 0.275 nan 8.300 nan 0.000 0.459 426 W N 2.353 123.367 121.300 -0.477 0.000 2.839 426 W HA 0.705 5.363 4.660 -0.004 0.000 0.334 426 W C -1.657 174.585 176.519 -0.462 0.000 1.064 426 W CA -0.945 56.205 57.345 -0.326 0.000 1.236 426 W CB 1.036 30.458 29.460 -0.064 0.000 1.405 426 W HN 0.156 nan 8.180 nan 0.000 0.478 427 F N 1.908 121.911 119.950 0.088 0.000 2.556 427 F HA 0.785 5.310 4.527 -0.004 0.000 0.327 427 F C 0.455 176.243 175.800 -0.021 0.000 1.059 427 F CA -1.298 56.685 58.000 -0.028 0.000 0.953 427 F CB 1.962 40.752 39.000 -0.349 0.000 1.227 427 F HN 0.075 nan 8.300 nan 0.000 0.478 428 R N 0.726 121.284 120.500 0.096 0.000 2.626 428 R HA 0.374 4.711 4.340 -0.004 0.000 0.274 428 R C -1.291 174.914 176.300 -0.158 0.000 1.031 428 R CA -1.033 55.020 56.100 -0.079 0.000 0.898 428 R CB 2.276 32.474 30.300 -0.170 0.000 1.222 428 R HN 0.651 nan 8.270 nan 0.000 0.455 429 H N 1.075 120.201 119.070 0.095 0.000 2.570 429 H HA 0.221 4.774 4.556 -0.004 0.000 0.342 429 H C -0.110 175.251 175.328 0.054 0.000 1.245 429 H CA -0.643 55.458 56.048 0.088 0.000 1.318 429 H CB 0.944 30.761 29.762 0.091 0.000 1.694 429 H HN 0.451 nan 8.280 nan 0.000 0.592 430 E N 0.956 121.277 120.200 0.203 0.000 2.458 430 E HA -0.043 4.305 4.350 -0.004 0.000 0.264 430 E C -0.268 176.395 176.600 0.106 0.000 1.097 430 E CA 0.200 56.670 56.400 0.117 0.000 0.973 430 E CB 0.453 30.209 29.700 0.094 0.000 0.963 430 E HN 0.424 nan 8.360 nan 0.000 0.451 431 E N 1.084 121.330 120.200 0.077 0.000 2.415 431 E HA 0.027 4.374 4.350 -0.004 0.000 0.260 431 E C -0.281 176.420 176.600 0.168 0.000 1.016 431 E CA -0.343 56.124 56.400 0.111 0.000 0.924 431 E CB 0.246 30.025 29.700 0.131 0.000 0.961 431 E HN 0.230 nan 8.360 nan 0.000 0.459 432 V N 1.376 121.388 119.914 0.163 0.000 2.530 432 V HA 0.081 4.198 4.120 -0.004 0.000 0.282 432 V C 0.170 176.424 176.094 0.266 0.000 1.048 432 V CA -0.785 61.629 62.300 0.191 0.000 0.997 432 V CB 0.761 32.658 31.823 0.124 0.000 0.987 432 V HN 0.621 nan 8.190 nan 0.000 0.477 433 H N 3.982 123.203 119.070 0.252 0.000 3.138 433 H HA 0.159 4.713 4.556 -0.004 0.000 0.275 433 H C 1.277 176.678 175.328 0.121 0.000 0.997 433 H CA 0.998 57.206 56.048 0.265 0.000 1.460 433 H CB 0.404 30.408 29.762 0.402 0.000 1.524 433 H HN 0.855 nan 8.280 nan 0.000 0.532 434 R N 4.482 124.848 120.500 -0.224 0.000 2.097 434 R HA -0.083 4.254 4.340 -0.004 0.000 0.236 434 R C 0.239 176.385 176.300 -0.257 0.000 1.135 434 R CA 2.032 58.012 56.100 -0.200 0.000 0.934 434 R CB -0.062 30.123 30.300 -0.192 0.000 0.846 434 R HN 0.748 nan 8.270 nan 0.000 0.431 435 I N -0.605 119.705 120.570 -0.433 0.000 2.448 435 I HA 0.401 4.569 4.170 -0.004 0.000 0.281 435 I C -1.195 174.752 176.117 -0.282 0.000 1.027 435 I CA -0.982 60.116 61.300 -0.338 0.000 1.111 435 I CB 1.932 39.715 38.000 -0.360 0.000 1.236 435 I HN -0.008 nan 8.210 nan 0.000 0.452 436 R N 5.225 125.685 120.500 -0.067 0.000 2.196 436 R HA 0.160 4.498 4.340 -0.004 0.000 0.340 436 R C -0.250 176.078 176.300 0.048 0.000 1.043 436 R CA -0.568 55.599 56.100 0.112 0.000 0.883 436 R CB 1.072 31.472 30.300 0.167 0.000 1.078 436 R HN 0.748 nan 8.270 nan 0.000 0.462 437 W N 3.115 124.395 121.300 -0.034 0.000 3.466 437 W HA 0.099 4.757 4.660 -0.004 0.000 0.323 437 W C 0.265 176.757 176.519 -0.045 0.000 1.264 437 W CA -0.733 56.586 57.345 -0.043 0.000 1.750 437 W CB 0.047 29.479 29.460 -0.047 0.000 1.040 437 W HN 0.727 nan 8.180 nan 0.000 0.742 438 G N 1.567 110.471 108.800 0.173 0.000 2.192 438 G HA2 0.337 4.294 3.960 -0.004 0.000 0.258 438 G HA3 0.337 4.294 3.960 -0.004 0.000 0.258 438 G C 0.219 175.194 174.900 0.126 0.000 1.185 438 G CA 0.532 45.696 45.100 0.106 0.000 0.976 438 G HN 0.246 nan 8.290 nan 0.000 0.446 439 G N 1.379 110.243 108.800 0.105 0.000 2.687 439 G HA2 0.518 4.476 3.960 -0.004 0.000 0.291 439 G HA3 0.518 4.476 3.960 -0.004 0.000 0.291 439 G C -0.779 174.146 174.900 0.043 0.000 1.420 439 G CA -1.175 43.979 45.100 0.091 0.000 0.796 439 G HN 0.574 nan 8.290 nan 0.000 0.485 440 K N 1.273 121.691 120.400 0.031 0.000 2.513 440 K HA 0.134 4.451 4.320 -0.004 0.000 0.275 440 K C -2.204 174.394 176.600 -0.004 0.000 1.025 440 K CA -0.010 56.284 56.287 0.011 0.000 1.125 440 K CB -0.061 32.443 32.500 0.006 0.000 0.843 440 K HN 0.137 nan 8.250 nan 0.000 0.486 441 P HA -0.142 nan 4.420 nan 0.000 0.255 441 P C -0.155 177.122 177.300 -0.039 0.000 1.151 441 P CA 0.562 63.651 63.100 -0.019 0.000 0.767 441 P CB 0.463 32.156 31.700 -0.013 0.000 0.736 442 E N 3.042 123.204 120.200 -0.064 0.000 2.474 442 E HA -0.012 4.335 4.350 -0.004 0.000 0.195 442 E C 0.084 176.634 176.600 -0.084 0.000 1.039 442 E CA -0.069 56.274 56.400 -0.095 0.000 0.881 442 E CB -0.074 29.528 29.700 -0.162 0.000 0.970 442 E HN 0.090 nan 8.360 nan 0.000 0.486 443 K N 0.681 121.047 120.400 -0.056 0.000 2.530 443 K HA -0.005 4.312 4.320 -0.004 0.000 0.280 443 K C -0.405 176.170 176.600 -0.041 0.000 1.004 443 K CA 0.590 56.852 56.287 -0.042 0.000 1.071 443 K CB 0.254 32.740 32.500 -0.024 0.000 0.876 443 K HN 0.232 nan 8.250 nan 0.000 0.487 444 L N 5.035 126.236 121.223 -0.037 0.000 2.518 444 L HA 0.314 4.651 4.340 -0.004 0.000 0.262 444 L C -0.668 176.189 176.870 -0.021 0.000 0.982 444 L CA -0.642 54.178 54.840 -0.032 0.000 0.873 444 L CB 0.809 42.843 42.059 -0.042 0.000 1.198 444 L HN 0.373 nan 8.230 nan 0.000 0.427 445 L N 0.674 121.886 121.223 -0.018 0.000 2.305 445 L HA 0.772 5.110 4.340 -0.004 0.000 0.284 445 L C 0.017 176.877 176.870 -0.017 0.000 1.013 445 L CA -0.394 54.437 54.840 -0.016 0.000 0.819 445 L CB 1.782 43.832 42.059 -0.015 0.000 1.227 445 L HN 0.377 nan 8.230 nan 0.000 0.417 446 T N 5.016 119.559 114.554 -0.018 0.000 3.064 446 T HA 0.468 4.816 4.350 -0.004 0.000 0.367 446 T C 0.104 174.790 174.700 -0.024 0.000 1.202 446 T CA -0.628 61.461 62.100 -0.018 0.000 1.133 446 T CB -0.164 68.695 68.868 -0.014 0.000 1.074 446 T HN 0.601 nan 8.240 nan 0.000 0.519 447 I N 1.820 122.375 120.570 -0.025 0.000 3.060 447 I HA 0.683 4.850 4.170 -0.004 0.000 0.285 447 I C 0.908 177.006 176.117 -0.031 0.000 1.190 447 I CA -0.760 60.521 61.300 -0.032 0.000 1.363 447 I CB 0.177 38.161 38.000 -0.026 0.000 1.396 447 I HN 0.562 nan 8.210 nan 0.000 0.607 448 G N 2.029 110.806 108.800 -0.039 0.000 2.820 448 G HA2 0.601 4.559 3.960 -0.004 0.000 0.291 448 G HA3 0.601 4.559 3.960 -0.004 0.000 0.291 448 G C -2.139 172.746 174.900 -0.024 0.000 1.323 448 G CA -1.002 44.079 45.100 -0.033 0.000 1.055 448 G HN 0.523 nan 8.290 nan 0.000 0.520 449 P HA 0.020 nan 4.420 nan 0.000 0.215 449 P C 2.035 179.329 177.300 -0.010 0.000 1.157 449 P CA 1.533 64.626 63.100 -0.010 0.000 0.856 449 P CB 0.194 31.890 31.700 -0.005 0.000 0.786 450 S N -1.892 113.801 115.700 -0.012 0.000 2.522 450 S HA 0.392 4.860 4.470 -0.004 0.000 0.227 450 S C 1.157 175.748 174.600 -0.016 0.000 0.986 450 S CA 0.487 58.682 58.200 -0.008 0.000 0.929 450 S CB -0.655 62.544 63.200 -0.001 0.000 0.769 450 S HN 0.407 nan 8.310 nan 0.000 0.529 451 G N 1.636 110.419 108.800 -0.028 0.000 2.250 451 G HA2 0.157 4.115 3.960 -0.004 0.000 0.252 451 G HA3 0.157 4.115 3.960 -0.004 0.000 0.252 451 G C -2.795 172.073 174.900 -0.054 0.000 1.325 451 G CA -0.237 44.844 45.100 -0.032 0.000 1.091 451 G HN 0.166 nan 8.290 nan 0.000 0.476 452 P HA 0.249 nan 4.420 nan 0.000 0.260 452 P C 1.432 178.684 177.300 -0.080 0.000 1.222 452 P CA 0.231 63.295 63.100 -0.060 0.000 0.843 452 P CB 0.407 32.091 31.700 -0.028 0.000 1.159 453 R N 0.733 121.192 120.500 -0.067 0.000 2.189 453 R HA 0.078 4.416 4.340 -0.004 0.000 0.218 453 R C 0.567 176.773 176.300 -0.157 0.000 1.074 453 R CA 0.546 56.611 56.100 -0.057 0.000 0.991 453 R CB -0.325 29.972 30.300 -0.006 0.000 0.883 453 R HN 0.175 nan 8.270 nan 0.000 0.457 454 L N 2.984 124.043 121.223 -0.274 0.000 2.480 454 L HA 0.170 4.507 4.340 -0.004 0.000 0.243 454 L C -0.385 175.853 176.870 -1.053 0.000 1.315 454 L CA -0.069 54.363 54.840 -0.679 0.000 1.231 454 L CB -0.331 41.493 42.059 -0.391 0.000 1.444 454 L HN 0.171 nan 8.230 nan 0.000 0.409 455 T N -3.791 110.250 114.554 -0.855 0.000 2.885 455 T HA 0.330 4.678 4.350 -0.004 0.000 0.322 455 T C -2.530 172.117 174.700 -0.089 0.000 1.387 455 T CA -1.357 60.454 62.100 -0.481 0.000 1.041 455 T CB 2.406 71.155 68.868 -0.198 0.000 1.287 455 T HN -0.211 nan 8.240 nan 0.000 0.491 456 P HA -0.067 nan 4.420 nan 0.000 0.221 456 P C 1.367 178.736 177.300 0.115 0.000 1.145 456 P CA 0.626 63.780 63.100 0.090 0.000 0.795 456 P CB 0.167 31.897 31.700 0.049 0.000 0.775 457 R N -0.387 120.165 120.500 0.088 0.000 2.254 457 R HA 0.109 4.446 4.340 -0.004 0.000 0.195 457 R C 1.788 178.159 176.300 0.118 0.000 0.957 457 R CA 1.179 57.342 56.100 0.105 0.000 1.024 457 R CB -0.696 29.644 30.300 0.067 0.000 0.952 457 R HN 0.131 nan 8.270 nan 0.000 0.484 458 G N -0.563 108.275 108.800 0.062 0.000 2.838 458 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.210 458 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.210 458 G C 1.080 176.036 174.900 0.094 0.000 1.153 458 G CA -0.057 45.071 45.100 0.047 0.000 0.778 458 G HN 0.230 nan 8.290 nan 0.000 0.539 459 S N 0.187 115.977 115.700 0.151 0.000 2.356 459 S HA 0.031 4.499 4.470 -0.004 0.000 0.219 459 S C 1.761 176.513 174.600 0.254 0.000 1.036 459 S CA 0.246 58.573 58.200 0.212 0.000 0.965 459 S CB -0.343 63.007 63.200 0.249 0.000 0.864 459 S HN 0.365 nan 8.310 nan 0.000 0.471 460 F N 2.927 122.950 119.950 0.122 0.000 2.333 460 F HA -0.086 4.439 4.527 -0.004 0.000 0.300 460 F C 2.166 178.070 175.800 0.173 0.000 1.083 460 F CA 1.118 59.195 58.000 0.128 0.000 1.395 460 F CB -0.058 38.950 39.000 0.014 0.000 1.056 460 F HN 0.119 nan 8.300 nan 0.000 0.529 461 E N 0.403 120.725 120.200 0.204 0.000 2.106 461 E HA -0.169 4.178 4.350 -0.004 0.000 0.192 461 E C 2.392 179.004 176.600 0.020 0.000 0.984 461 E CA 1.170 57.626 56.400 0.095 0.000 0.806 461 E CB -0.573 29.192 29.700 0.108 0.000 0.750 461 E HN 0.507 nan 8.360 nan 0.000 0.458 462 A N 0.074 122.933 122.820 0.065 0.000 1.970 462 A HA -0.106 4.211 4.320 -0.004 0.000 0.216 462 A C 1.903 179.508 177.584 0.036 0.000 1.170 462 A CA 0.738 52.805 52.037 0.050 0.000 0.645 462 A CB -0.809 18.242 19.000 0.085 0.000 0.816 462 A HN 0.418 nan 8.150 nan 0.000 0.447 463 W N 0.790 122.002 121.300 -0.147 0.000 2.518 463 W HA -0.004 4.654 4.660 -0.004 0.000 0.273 463 W C 1.685 178.032 176.519 -0.286 0.000 1.247 463 W CA 1.333 58.562 57.345 -0.192 0.000 1.288 463 W CB 0.156 29.506 29.460 -0.182 0.000 1.107 463 W HN 0.405 nan 8.180 nan 0.000 0.586 464 E N 0.157 120.178 120.200 -0.298 0.000 2.204 464 E HA -0.204 4.144 4.350 -0.004 0.000 0.194 464 E C 1.614 177.998 176.600 -0.361 0.000 0.989 464 E CA 1.340 57.462 56.400 -0.464 0.000 0.824 464 E CB -0.008 29.473 29.700 -0.365 0.000 0.756 464 E HN 0.491 nan 8.360 nan 0.000 0.477 465 E N -0.315 119.738 120.200 -0.245 0.000 2.371 465 E HA -0.063 4.285 4.350 -0.004 0.000 0.194 465 E C 1.907 178.391 176.600 -0.192 0.000 1.012 465 E CA 0.178 56.481 56.400 -0.161 0.000 0.860 465 E CB 0.447 30.096 29.700 -0.086 0.000 0.811 465 E HN 0.033 nan 8.360 nan 0.000 0.502 466 V N 0.923 120.646 119.914 -0.320 0.000 2.346 466 V HA -0.161 3.957 4.120 -0.004 0.000 0.244 466 V C 2.250 178.052 176.094 -0.486 0.000 1.037 466 V CA 1.668 63.751 62.300 -0.362 0.000 1.029 466 V CB 0.214 31.804 31.823 -0.389 0.000 0.663 466 V HN 0.303 nan 8.190 nan 0.000 0.454 467 V N -1.380 118.143 119.914 -0.651 0.000 3.506 467 V HA 0.257 4.374 4.120 -0.004 0.000 0.263 467 V C 1.290 177.293 176.094 -0.153 0.000 1.203 467 V CA 0.025 62.014 62.300 -0.520 0.000 1.133 467 V CB -0.612 30.744 31.823 -0.778 0.000 0.802 467 V HN 0.361 nan 8.190 nan 0.000 0.459 468 R N 1.974 122.373 120.500 -0.167 0.000 2.473 468 R HA 0.417 4.754 4.340 -0.004 0.000 0.315 468 R C 1.250 177.595 176.300 0.074 0.000 0.972 468 R CA 1.261 57.332 56.100 -0.048 0.000 1.047 468 R CB -0.304 29.954 30.300 -0.070 0.000 0.932 468 R HN 0.861 nan 8.270 nan 0.000 0.411 469 G N 2.838 111.670 108.800 0.053 0.000 2.284 469 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.216 469 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.216 469 G C -0.565 174.282 174.900 -0.088 0.000 1.009 469 G CA 0.110 45.198 45.100 -0.021 0.000 0.625 469 G HN 0.706 nan 8.290 nan 0.000 0.501 470 H N 1.421 120.478 119.070 -0.021 0.000 2.473 470 H HA 0.692 5.245 4.556 -0.004 0.000 0.327 470 H C 0.753 176.069 175.328 -0.020 0.000 1.105 470 H CA 0.161 56.200 56.048 -0.014 0.000 1.280 470 H CB 1.602 31.332 29.762 -0.052 0.000 1.450 470 H HN 0.467 nan 8.280 nan 0.000 0.492 471 S N 1.375 117.125 115.700 0.084 0.000 2.730 471 S HA 0.327 4.795 4.470 -0.004 0.000 0.284 471 S C -0.160 174.387 174.600 -0.088 0.000 1.153 471 S CA -1.017 57.182 58.200 -0.002 0.000 0.995 471 S CB 0.728 63.906 63.200 -0.037 0.000 1.058 471 S HN 0.604 nan 8.310 nan 0.000 0.552 472 T N 3.295 117.749 114.554 -0.166 0.000 2.867 472 T HA 0.287 4.635 4.350 -0.004 0.000 0.297 472 T C -2.370 172.098 174.700 -0.387 0.000 0.989 472 T CA -0.503 61.471 62.100 -0.211 0.000 1.159 472 T CB -0.301 68.448 68.868 -0.198 0.000 0.928 472 T HN 0.503 nan 8.240 nan 0.000 0.538 473 P HA -0.006 nan 4.420 nan 0.000 0.269 473 P C -0.712 176.360 177.300 -0.380 0.000 1.205 473 P CA -0.169 62.768 63.100 -0.272 0.000 0.780 473 P CB 0.373 31.964 31.700 -0.182 0.000 0.858 474 W N 1.205 122.413 121.300 -0.153 0.000 2.342 474 W HA 0.340 4.997 4.660 -0.004 0.000 0.310 474 W C 0.853 177.239 176.519 -0.221 0.000 1.128 474 W CA -0.136 57.088 57.345 -0.201 0.000 1.322 474 W CB 0.585 29.883 29.460 -0.269 0.000 1.251 474 W HN 0.218 nan 8.180 nan 0.000 0.439 475 S N 1.954 117.671 115.700 0.029 0.000 2.560 475 S HA -0.116 4.351 4.470 -0.004 0.000 0.284 475 S C 1.564 176.141 174.600 -0.039 0.000 1.327 475 S CA -0.143 58.044 58.200 -0.022 0.000 1.055 475 S CB 0.843 64.027 63.200 -0.027 0.000 0.868 475 S HN 0.610 nan 8.310 nan 0.000 0.506 476 E N 3.277 123.455 120.200 -0.037 0.000 2.187 476 E HA -0.142 4.206 4.350 -0.004 0.000 0.199 476 E C 1.696 178.269 176.600 -0.045 0.000 1.004 476 E CA 2.354 58.730 56.400 -0.041 0.000 0.813 476 E CB -0.534 29.160 29.700 -0.010 0.000 0.736 476 E HN 0.705 nan 8.360 nan 0.000 0.468 477 T N 0.113 114.644 114.554 -0.037 0.000 2.896 477 T HA -0.060 4.287 4.350 -0.004 0.000 0.263 477 T C 0.945 175.603 174.700 -0.070 0.000 1.050 477 T CA 0.979 63.052 62.100 -0.045 0.000 1.140 477 T CB -0.274 68.574 68.868 -0.033 0.000 0.877 477 T HN 0.195 nan 8.240 nan 0.000 0.457 478 D N 1.337 121.697 120.400 -0.068 0.000 2.123 478 D HA -0.030 4.607 4.640 -0.004 0.000 0.196 478 D C 1.981 178.185 176.300 -0.161 0.000 0.992 478 D CA 0.897 54.839 54.000 -0.097 0.000 0.833 478 D CB -0.247 40.563 40.800 0.016 0.000 0.954 478 D HN 0.327 nan 8.370 nan 0.000 0.455 479 L N 0.111 121.249 121.223 -0.142 0.000 2.240 479 L HA 0.040 4.378 4.340 -0.004 0.000 0.211 479 L C 2.288 179.088 176.870 -0.118 0.000 1.106 479 L CA 0.630 55.367 54.840 -0.170 0.000 0.793 479 L CB -0.314 41.629 42.059 -0.193 0.000 0.927 479 L HN -0.031 nan 8.230 nan 0.000 0.446 480 A N 0.014 122.779 122.820 -0.091 0.000 2.121 480 A HA -0.074 4.243 4.320 -0.004 0.000 0.218 480 A C 2.137 179.679 177.584 -0.070 0.000 1.154 480 A CA 1.074 53.072 52.037 -0.065 0.000 0.679 480 A CB -0.346 18.624 19.000 -0.049 0.000 0.795 480 A HN 0.355 nan 8.150 nan 0.000 0.458 481 I N -1.050 119.459 120.570 -0.102 0.000 2.385 481 I HA -0.086 4.082 4.170 -0.004 0.000 0.244 481 I C 2.924 178.980 176.117 -0.102 0.000 1.089 481 I CA 0.743 61.980 61.300 -0.106 0.000 1.410 481 I CB -0.434 37.478 38.000 -0.148 0.000 1.117 481 I HN 0.289 nan 8.210 nan 0.000 0.429 482 A N 0.634 123.357 122.820 -0.163 0.000 1.971 482 A HA -0.278 4.040 4.320 -0.004 0.000 0.222 482 A C 2.221 179.795 177.584 -0.017 0.000 1.182 482 A CA 1.876 53.856 52.037 -0.094 0.000 0.649 482 A CB -0.568 18.334 19.000 -0.164 0.000 0.818 482 A HN 0.392 nan 8.150 nan 0.000 0.458 483 E N -0.038 120.138 120.200 -0.040 0.000 2.007 483 E HA -0.163 4.185 4.350 -0.004 0.000 0.194 483 E C 1.885 178.477 176.600 -0.012 0.000 0.999 483 E CA 1.142 57.530 56.400 -0.020 0.000 0.811 483 E CB -0.342 29.342 29.700 -0.026 0.000 0.762 483 E HN 0.457 nan 8.360 nan 0.000 0.450 484 K N 0.727 121.113 120.400 -0.022 0.000 2.360 484 K HA -0.112 4.206 4.320 -0.004 0.000 0.201 484 K C 1.958 178.550 176.600 -0.013 0.000 1.046 484 K CA 0.314 56.590 56.287 -0.019 0.000 0.940 484 K CB -0.122 32.362 32.500 -0.026 0.000 0.748 484 K HN 0.188 nan 8.250 nan 0.000 0.465 485 L N 0.302 121.526 121.223 0.003 0.000 2.307 485 L HA -0.037 4.301 4.340 -0.004 0.000 0.211 485 L C 2.416 179.292 176.870 0.010 0.000 1.099 485 L CA 0.777 55.628 54.840 0.018 0.000 0.816 485 L CB -0.205 41.905 42.059 0.085 0.000 0.952 485 L HN 0.117 nan 8.230 nan 0.000 0.455 486 R N -0.213 120.309 120.500 0.036 0.000 2.061 486 R HA -0.166 4.172 4.340 -0.004 0.000 0.230 486 R C 2.250 178.563 176.300 0.023 0.000 1.140 486 R CA 1.328 57.463 56.100 0.058 0.000 0.940 486 R CB -0.166 30.163 30.300 0.047 0.000 0.839 486 R HN 0.209 nan 8.270 nan 0.000 0.429 487 L N 1.328 122.553 121.223 0.003 0.000 2.127 487 L HA -0.157 4.181 4.340 -0.004 0.000 0.211 487 L C 1.882 178.739 176.870 -0.022 0.000 1.089 487 L CA 1.807 56.642 54.840 -0.007 0.000 0.757 487 L CB -0.748 41.305 42.059 -0.010 0.000 0.899 487 L HN 0.278 nan 8.230 nan 0.000 0.434 488 D N -1.053 119.327 120.400 -0.034 0.000 2.218 488 D HA -0.156 4.481 4.640 -0.004 0.000 0.204 488 D C 2.182 178.427 176.300 -0.091 0.000 0.976 488 D CA 0.967 54.934 54.000 -0.054 0.000 0.853 488 D CB 0.149 40.917 40.800 -0.054 0.000 0.939 488 D HN 0.266 nan 8.370 nan 0.000 0.481 489 L N -0.853 120.296 121.223 -0.124 0.000 2.200 489 L HA 0.073 4.410 4.340 -0.004 0.000 0.200 489 L C 2.409 179.212 176.870 -0.112 0.000 1.072 489 L CA 0.175 54.876 54.840 -0.232 0.000 0.787 489 L CB -0.280 41.453 42.059 -0.543 0.000 0.957 489 L HN 0.057 nan 8.230 nan 0.000 0.459 490 M N 0.036 119.632 119.600 -0.006 0.000 2.073 490 M HA -0.289 4.189 4.480 -0.004 0.000 0.258 490 M C 2.249 178.566 176.300 0.029 0.000 1.070 490 M CA 2.100 57.435 55.300 0.058 0.000 1.103 490 M CB -0.540 32.090 32.600 0.049 0.000 1.321 490 M HN 0.171 nan 8.290 nan 0.000 0.405 491 E N 0.762 120.963 120.200 0.002 0.000 2.160 491 E HA -0.198 4.150 4.350 -0.004 0.000 0.195 491 E C 1.610 178.211 176.600 0.001 0.000 0.991 491 E CA 1.311 57.712 56.400 0.001 0.000 0.810 491 E CB -0.145 29.550 29.700 -0.009 0.000 0.742 491 E HN 0.302 nan 8.360 nan 0.000 0.466 492 L N -0.387 120.819 121.223 -0.028 0.000 2.240 492 L HA -0.046 4.292 4.340 -0.004 0.000 0.211 492 L C 2.130 178.997 176.870 -0.005 0.000 1.106 492 L CA 0.861 55.676 54.840 -0.041 0.000 0.793 492 L CB -0.476 41.512 42.059 -0.118 0.000 0.927 492 L HN 0.364 nan 8.230 nan 0.000 0.446 493 C N -1.385 117.922 119.300 0.012 0.000 2.500 493 C HA -0.038 4.420 4.460 -0.004 0.000 0.279 493 C C 2.687 177.727 174.990 0.084 0.000 1.288 493 C CA -0.035 59.014 59.018 0.053 0.000 1.710 493 C CB -0.635 27.177 27.740 0.121 0.000 2.052 493 C HN 0.424 nan 8.230 nan 0.000 0.488 494 L N 1.480 122.750 121.223 0.079 0.000 2.021 494 L HA -0.244 4.094 4.340 -0.004 0.000 0.215 494 L C 2.273 179.171 176.870 0.047 0.000 1.074 494 L CA 1.683 56.559 54.840 0.061 0.000 0.760 494 L CB -0.753 41.330 42.059 0.040 0.000 0.889 494 L HN 0.496 nan 8.230 nan 0.000 0.433 495 N N -1.873 116.860 118.700 0.055 0.000 2.300 495 N HA -0.052 4.686 4.740 -0.004 0.000 0.179 495 N C 0.757 176.275 175.510 0.013 0.000 1.016 495 N CA 0.791 53.867 53.050 0.043 0.000 0.876 495 N CB -0.063 38.468 38.487 0.074 0.000 0.979 495 N HN 0.410 nan 8.380 nan 0.000 0.432 496 H N 0.000 119.062 119.070 -0.014 0.000 2.539 496 H HA 0.000 4.554 4.556 -0.004 0.000 0.296 496 H CA 0.000 56.037 56.048 -0.019 0.000 1.023 496 H CB 0.000 29.742 29.762 -0.034 0.000 1.292 496 H HN 0.000 nan 8.280 nan 0.000 0.496