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 2gok_1_A DATA FIRST_RESID 17 DATA SEQUENCE ATALWRNAQL ATLNPAMDGI GAVENAVIAV RNGRIAFAGP ESDLPDDLST DATA SEQUENCE ADETTDCGGR WITPALIDCH THLVFGGNRA MEFEMRLNGA TYEEIAKAGG DATA SEQUENCE GIVSSVRDTR ALSDEVLVAQ ALPRLDTLLS EGVSTIEIKS GYGLDIETEL DATA SEQUENCE KMLRVARRLE TLRPVRIVTS YLAAHATPAD YKGRNADYIT DVVLPGLEKA DATA SEQUENCE HAEGLADAVD GFCEGIAFSV KEIDRVFAAA QQRGLPVKLH AEQLSNLGGA DATA SEQUENCE ELAASYNALS ADHLEYLDET GAKALAKAGT VAVLLPGAFY ALREKQLPPV DATA SEQUENCE QALRDAGAEI ALATDCNPGT SPLTSLLLTM NMGATLFRMT VEECLTATTR DATA SEQUENCE NAAKALGLLA ETGTLEAGKS ADFAIWDIER PAELVYRIGF NPLHARIFKG DATA SEQUENCE QKVS 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.609 177.584 0.041 0.000 1.274 17 A CA 0.000 52.053 52.037 0.026 0.000 0.836 17 A CB 0.000 19.017 19.000 0.028 0.000 0.831 18 T N -1.375 113.202 114.554 0.038 0.000 2.896 18 T HA 1.049 5.401 4.350 0.004 0.000 0.297 18 T C -0.368 174.357 174.700 0.042 0.000 1.108 18 T CA -0.110 62.023 62.100 0.055 0.000 1.004 18 T CB 1.676 70.567 68.868 0.038 0.000 1.159 18 T HN 2.557 nan 8.240 nan 0.000 0.499 19 A N 1.245 124.108 122.820 0.072 0.000 2.605 19 A HA 0.746 5.068 4.320 0.004 0.000 0.294 19 A C -1.848 175.746 177.584 0.018 0.000 1.062 19 A CA -0.947 51.071 52.037 -0.032 0.000 0.682 19 A CB 1.227 20.180 19.000 -0.080 0.000 1.278 19 A HN 0.933 nan 8.150 nan 0.000 0.410 20 L N 0.979 122.097 121.223 -0.173 0.000 2.381 20 L HA 0.605 4.947 4.340 0.004 0.000 0.268 20 L C -1.160 175.593 176.870 -0.194 0.000 0.997 20 L CA -0.416 54.406 54.840 -0.030 0.000 0.818 20 L CB 2.021 44.065 42.059 -0.025 0.000 1.310 20 L HN 0.748 nan 8.230 nan 0.000 0.416 21 W N 4.598 125.926 121.300 0.046 0.000 2.453 21 W HA 0.416 5.078 4.660 0.004 0.000 0.310 21 W C -0.272 176.244 176.519 -0.005 0.000 1.000 21 W CA -0.557 56.808 57.345 0.032 0.000 1.367 21 W CB 1.927 31.401 29.460 0.024 0.000 1.269 21 W HN 0.593 nan 8.180 nan 0.000 0.418 22 R N 0.625 121.194 120.500 0.116 0.000 2.893 22 R HA 0.496 4.838 4.340 0.004 0.000 0.245 22 R C 0.492 176.819 176.300 0.046 0.000 1.192 22 R CA -0.929 55.212 56.100 0.069 0.000 1.077 22 R CB 0.697 31.015 30.300 0.031 0.000 1.253 22 R HN 0.436 nan 8.270 nan 0.000 0.505 23 N N -0.700 118.008 118.700 0.013 0.000 2.708 23 N HA -0.234 4.508 4.740 0.004 0.000 0.255 23 N C -1.587 173.908 175.510 -0.026 0.000 1.046 23 N CA 0.306 53.349 53.050 -0.012 0.000 0.715 23 N CB -0.546 37.937 38.487 -0.007 0.000 0.895 23 N HN 0.734 nan 8.380 nan 0.000 0.545 24 A N 1.184 123.974 122.820 -0.050 0.000 2.566 24 A HA 0.624 4.946 4.320 0.004 0.000 0.292 24 A C -0.939 176.525 177.584 -0.200 0.000 1.112 24 A CA -0.607 51.375 52.037 -0.092 0.000 0.707 24 A CB 1.614 20.599 19.000 -0.026 0.000 1.302 24 A HN 0.395 nan 8.150 nan 0.000 0.409 25 Q N 0.466 120.058 119.800 -0.346 0.000 2.293 25 Q HA 0.646 4.988 4.340 0.004 0.000 0.261 25 Q C -1.300 174.478 176.000 -0.371 0.000 0.960 25 Q CA -0.271 55.157 55.803 -0.625 0.000 0.882 25 Q CB 2.043 29.892 28.738 -1.482 0.000 1.275 25 Q HN 0.617 nan 8.270 nan 0.000 0.445 26 L N 1.151 122.248 121.223 -0.210 0.000 2.334 26 L HA 0.741 5.083 4.340 0.004 0.000 0.276 26 L C -0.368 176.651 176.870 0.249 0.000 1.014 26 L CA -0.989 53.870 54.840 0.032 0.000 0.815 26 L CB 1.717 43.743 42.059 -0.054 0.000 1.268 26 L HN 0.630 nan 8.230 nan 0.000 0.428 27 A N 0.544 123.556 122.820 0.320 0.000 2.786 27 A HA 0.374 4.697 4.320 0.004 0.000 0.346 27 A C 0.936 178.594 177.584 0.124 0.000 1.265 27 A CA -0.243 51.950 52.037 0.260 0.000 0.858 27 A CB 0.105 19.233 19.000 0.214 0.000 1.118 27 A HN 0.859 nan 8.150 nan 0.000 0.482 28 T N -0.484 114.110 114.554 0.066 0.000 2.915 28 T HA -0.049 4.303 4.350 0.004 0.000 0.269 28 T C 1.019 175.731 174.700 0.020 0.000 1.071 28 T CA 1.222 63.330 62.100 0.014 0.000 1.132 28 T CB -0.763 68.087 68.868 -0.031 0.000 0.878 28 T HN 1.045 nan 8.240 nan 0.000 0.479 29 L N 0.526 121.766 121.223 0.029 0.000 4.001 29 L HA -0.162 4.180 4.340 0.004 0.000 0.413 29 L C 0.287 177.162 176.870 0.009 0.000 1.185 29 L CA 0.201 55.053 54.840 0.020 0.000 0.963 29 L CB -2.056 40.019 42.059 0.027 0.000 1.976 29 L HN 0.489 nan 8.230 nan 0.000 0.939 30 N N 1.832 120.533 118.700 0.001 0.000 2.452 30 N HA 0.078 4.820 4.740 0.004 0.000 0.266 30 N C -0.916 174.593 175.510 -0.001 0.000 1.209 30 N CA -1.122 51.924 53.050 -0.006 0.000 0.929 30 N CB 1.040 39.517 38.487 -0.017 0.000 1.063 30 N HN 0.071 nan 8.380 nan 0.000 0.472 31 P HA -0.093 nan 4.420 nan 0.000 0.228 31 P C 0.516 177.817 177.300 0.000 0.000 1.151 31 P CA 0.775 63.875 63.100 0.001 0.000 0.770 31 P CB 0.206 31.907 31.700 0.002 0.000 0.786 32 A N -1.243 121.577 122.820 -0.001 0.000 2.178 32 A HA 0.158 4.480 4.320 0.004 0.000 0.211 32 A C 1.421 179.006 177.584 0.001 0.000 1.157 32 A CA 0.299 52.337 52.037 0.000 0.000 0.780 32 A CB -0.560 18.439 19.000 -0.000 0.000 0.828 32 A HN 0.168 nan 8.150 nan 0.000 0.476 33 M N 0.424 120.024 119.600 0.001 0.000 2.528 33 M HA 0.278 4.761 4.480 0.004 0.000 0.318 33 M C -0.808 175.495 176.300 0.005 0.000 1.195 33 M CA -0.769 54.533 55.300 0.004 0.000 1.000 33 M CB 0.911 33.513 32.600 0.004 0.000 1.615 33 M HN 0.093 nan 8.290 nan 0.000 0.469 34 D N 0.809 121.213 120.400 0.007 0.000 2.358 34 D HA 0.345 4.987 4.640 0.004 0.000 0.244 34 D C 0.808 177.112 176.300 0.007 0.000 1.163 34 D CA 0.881 54.884 54.000 0.005 0.000 0.945 34 D CB 0.837 41.640 40.800 0.006 0.000 1.152 34 D HN 0.808 nan 8.370 nan 0.000 0.451 35 G N 1.069 109.870 108.800 0.001 0.000 2.634 35 G HA2 -0.313 3.649 3.960 0.004 0.000 0.309 35 G HA3 -0.313 3.649 3.960 0.004 0.000 0.309 35 G C 0.896 175.795 174.900 -0.002 0.000 1.265 35 G CA 0.616 45.714 45.100 -0.003 0.000 0.998 35 G HN 0.699 nan 8.290 nan 0.000 0.551 36 I N -0.607 119.963 120.570 -0.000 0.000 3.855 36 I HA 0.533 4.706 4.170 0.004 0.000 0.327 36 I C 1.379 177.515 176.117 0.032 0.000 1.359 36 I CA 0.609 61.912 61.300 0.005 0.000 1.142 36 I CB -0.356 37.633 38.000 -0.019 0.000 1.041 36 I HN 2.078 nan 8.210 nan 0.000 0.403 37 G N 2.175 110.995 108.800 0.032 0.000 2.359 37 G HA2 -0.168 3.794 3.960 0.004 0.000 0.298 37 G HA3 -0.168 3.794 3.960 0.004 0.000 0.298 37 G C 0.282 175.223 174.900 0.069 0.000 1.030 37 G CA 0.123 45.244 45.100 0.036 0.000 1.149 37 G HN 0.952 nan 8.290 nan 0.000 0.512 38 A N -0.381 122.503 122.820 0.106 0.000 2.401 38 A HA 0.706 5.028 4.320 0.004 0.000 0.259 38 A C 0.381 178.017 177.584 0.086 0.000 1.103 38 A CA 0.114 52.262 52.037 0.184 0.000 0.789 38 A CB 1.216 20.392 19.000 0.294 0.000 1.035 38 A HN 1.379 nan 8.150 nan 0.000 0.491 39 V N 2.974 122.908 119.914 0.033 0.000 2.483 39 V HA 0.329 4.451 4.120 0.004 0.000 0.297 39 V C -0.108 175.918 176.094 -0.114 0.000 1.027 39 V CA -0.592 61.687 62.300 -0.035 0.000 0.855 39 V CB 1.412 33.203 31.823 -0.053 0.000 0.995 39 V HN 1.068 nan 8.190 nan 0.000 0.424 40 E N 3.799 123.938 120.200 -0.101 0.000 2.319 40 E HA 0.331 4.683 4.350 0.004 0.000 0.268 40 E C 0.257 176.791 176.600 -0.110 0.000 1.050 40 E CA -0.028 56.283 56.400 -0.148 0.000 0.878 40 E CB 0.432 30.075 29.700 -0.095 0.000 1.066 40 E HN 0.673 nan 8.360 nan 0.000 0.406 41 N N 0.905 119.530 118.700 -0.125 0.000 2.650 41 N HA -0.246 4.497 4.740 0.004 0.000 0.272 41 N C -1.345 174.137 175.510 -0.048 0.000 1.058 41 N CA 0.317 53.321 53.050 -0.076 0.000 0.765 41 N CB -0.787 37.672 38.487 -0.046 0.000 0.902 41 N HN 0.509 nan 8.380 nan 0.000 0.551 42 A N 0.154 122.937 122.820 -0.063 0.000 2.389 42 A HA 0.927 5.249 4.320 0.004 0.000 0.293 42 A C -0.333 177.253 177.584 0.003 0.000 1.186 42 A CA -0.540 51.480 52.037 -0.028 0.000 0.828 42 A CB 2.144 21.100 19.000 -0.074 0.000 1.369 42 A HN 0.341 nan 8.150 nan 0.000 0.446 43 V N -0.453 119.488 119.914 0.044 0.000 3.147 43 V HA 0.703 4.825 4.120 0.004 0.000 0.306 43 V C -1.771 174.369 176.094 0.077 0.000 1.209 43 V CA -0.643 61.711 62.300 0.089 0.000 1.023 43 V CB 1.988 33.897 31.823 0.143 0.000 1.059 43 V HN 0.751 nan 8.190 nan 0.000 0.435 44 I N 4.318 124.953 120.570 0.108 0.000 2.478 44 I HA 0.711 4.883 4.170 0.004 0.000 0.287 44 I C 0.006 176.272 176.117 0.247 0.000 1.042 44 I CA -0.641 60.698 61.300 0.065 0.000 1.067 44 I CB 1.849 39.719 38.000 -0.216 0.000 1.233 44 I HN 0.788 nan 8.210 nan 0.000 0.431 45 A N 6.773 129.742 122.820 0.247 0.000 2.292 45 A HA 0.813 5.135 4.320 0.004 0.000 0.319 45 A C -0.644 177.089 177.584 0.249 0.000 1.206 45 A CA -0.436 51.754 52.037 0.256 0.000 0.835 45 A CB 1.037 20.170 19.000 0.222 0.000 1.164 45 A HN 0.442 nan 8.150 nan 0.000 0.505 46 V N 2.577 122.668 119.914 0.294 0.000 2.628 46 V HA 0.692 4.815 4.120 0.004 0.000 0.306 46 V C 0.092 176.293 176.094 0.180 0.000 1.045 46 V CA -0.678 61.778 62.300 0.261 0.000 0.905 46 V CB 1.783 33.842 31.823 0.393 0.000 0.997 46 V HN 0.960 nan 8.190 nan 0.000 0.436 47 R N 3.482 124.056 120.500 0.124 0.000 2.510 47 R HA 0.385 4.728 4.340 0.004 0.000 0.294 47 R C -0.387 175.948 176.300 0.058 0.000 1.056 47 R CA -0.445 55.705 56.100 0.083 0.000 0.918 47 R CB 0.756 31.096 30.300 0.067 0.000 1.187 47 R HN 0.811 nan 8.270 nan 0.000 0.437 48 N N 2.941 121.669 118.700 0.047 0.000 2.740 48 N HA -0.193 4.550 4.740 0.004 0.000 0.248 48 N C 0.439 175.952 175.510 0.006 0.000 1.062 48 N CA 1.657 54.721 53.050 0.023 0.000 0.704 48 N CB -1.084 37.411 38.487 0.014 0.000 0.968 48 N HN 1.115 nan 8.380 nan 0.000 0.547 49 G N -1.308 107.500 108.800 0.013 0.000 2.155 49 G HA2 -0.358 3.604 3.960 0.004 0.000 0.257 49 G HA3 -0.358 3.604 3.960 0.004 0.000 0.257 49 G C 0.053 174.932 174.900 -0.036 0.000 0.983 49 G CA 0.696 45.776 45.100 -0.034 0.000 0.676 49 G HN 0.488 nan 8.290 nan 0.000 0.528 50 R N -0.638 119.871 120.500 0.015 0.000 2.803 50 R HA 0.577 4.919 4.340 0.004 0.000 0.276 50 R C 0.278 176.618 176.300 0.065 0.000 0.978 50 R CA -1.113 55.000 56.100 0.022 0.000 0.939 50 R CB 1.201 31.512 30.300 0.018 0.000 1.179 50 R HN 0.209 nan 8.270 nan 0.000 0.472 51 I N 2.211 122.817 120.570 0.061 0.000 2.363 51 I HA 0.027 4.200 4.170 0.004 0.000 0.292 51 I C 1.333 177.498 176.117 0.081 0.000 1.075 51 I CA 0.160 61.505 61.300 0.075 0.000 1.333 51 I CB 1.381 39.403 38.000 0.035 0.000 1.415 51 I HN 0.714 nan 8.210 nan 0.000 0.502 52 A N 7.117 130.009 122.820 0.121 0.000 1.984 52 A HA 0.121 4.444 4.320 0.004 0.000 0.214 52 A C 0.389 178.110 177.584 0.228 0.000 1.173 52 A CA 0.907 53.029 52.037 0.142 0.000 0.673 52 A CB 0.273 19.355 19.000 0.137 0.000 0.830 52 A HN 0.609 nan 8.150 nan 0.000 0.453 53 F N -2.347 117.620 119.950 0.028 0.000 2.688 53 F HA 0.554 5.083 4.527 0.004 0.000 0.308 53 F C -1.279 174.521 175.800 0.000 0.000 1.117 53 F CA -0.516 57.492 58.000 0.014 0.000 0.976 53 F CB 1.296 40.305 39.000 0.015 0.000 1.291 53 F HN 0.134 nan 8.300 nan 0.000 0.439 54 A N 3.554 125.816 122.820 -0.930 0.000 2.547 54 A HA 0.820 5.142 4.320 0.004 0.000 0.279 54 A C -0.553 176.502 177.584 -0.882 0.000 1.088 54 A CA 0.201 51.848 52.037 -0.650 0.000 0.796 54 A CB 0.698 19.488 19.000 -0.349 0.000 1.308 54 A HN 1.943 nan 8.150 nan 0.000 0.415 55 G N 1.469 109.872 108.800 -0.661 0.000 2.336 55 G HA2 0.565 4.528 3.960 0.004 0.000 0.286 55 G HA3 0.565 4.528 3.960 0.004 0.000 0.286 55 G C -3.513 171.387 174.900 0.000 0.000 1.269 55 G CA -0.626 44.261 45.100 -0.354 0.000 0.873 55 G HN 0.411 nan 8.290 nan 0.000 0.494 56 P HA 0.175 nan 4.420 nan 0.000 0.264 56 P C 0.502 177.915 177.300 0.188 0.000 1.183 56 P CA 0.445 63.612 63.100 0.112 0.000 0.763 56 P CB 0.562 32.319 31.700 0.094 0.000 0.807 57 E N 1.243 121.507 120.200 0.105 0.000 2.265 57 E HA -0.161 4.191 4.350 0.004 0.000 0.196 57 E C 1.628 178.257 176.600 0.049 0.000 0.996 57 E CA 1.438 57.891 56.400 0.088 0.000 0.832 57 E CB -0.105 29.619 29.700 0.041 0.000 0.756 57 E HN 0.536 nan 8.360 nan 0.000 0.491 58 S N 0.605 116.332 115.700 0.045 0.000 2.436 58 S HA -0.077 4.396 4.470 0.004 0.000 0.228 58 S C 1.327 175.929 174.600 0.003 0.000 1.014 58 S CA 0.648 58.858 58.200 0.016 0.000 0.950 58 S CB 0.160 63.370 63.200 0.017 0.000 0.784 58 S HN 0.097 nan 8.310 nan 0.000 0.504 59 D N 1.142 121.571 120.400 0.048 0.000 2.340 59 D HA 0.192 4.834 4.640 0.004 0.000 0.220 59 D C 0.205 176.345 176.300 -0.267 0.000 1.039 59 D CA -0.078 53.930 54.000 0.014 0.000 0.866 59 D CB -0.071 40.851 40.800 0.205 0.000 0.913 59 D HN 0.343 nan 8.370 nan 0.000 0.523 60 L N 2.452 123.498 121.223 -0.296 0.000 2.534 60 L HA 0.150 4.493 4.340 0.004 0.000 0.271 60 L C -2.344 174.263 176.870 -0.439 0.000 1.178 60 L CA -0.933 53.563 54.840 -0.572 0.000 0.907 60 L CB 0.215 42.145 42.059 -0.214 0.000 1.164 60 L HN -0.277 nan 8.230 nan 0.000 0.482 61 P HA 0.118 nan 4.420 nan 0.000 0.268 61 P C -0.249 176.945 177.300 -0.178 0.000 1.205 61 P CA -0.070 62.857 63.100 -0.288 0.000 0.771 61 P CB 0.558 32.098 31.700 -0.266 0.000 0.858 62 D N 0.576 120.905 120.400 -0.118 0.000 2.221 62 D HA -0.173 4.469 4.640 0.004 0.000 0.204 62 D C 0.999 177.260 176.300 -0.065 0.000 0.982 62 D CA 1.206 55.158 54.000 -0.080 0.000 0.857 62 D CB -0.262 40.502 40.800 -0.059 0.000 0.934 62 D HN 0.448 nan 8.370 nan 0.000 0.475 63 D N 0.311 120.671 120.400 -0.067 0.000 2.178 63 D HA -0.077 4.566 4.640 0.004 0.000 0.202 63 D C 1.581 177.857 176.300 -0.040 0.000 0.974 63 D CA 0.716 54.689 54.000 -0.045 0.000 0.841 63 D CB 0.047 40.824 40.800 -0.039 0.000 0.953 63 D HN 0.329 nan 8.370 nan 0.000 0.478 64 L N 0.572 121.758 121.223 -0.062 0.000 2.700 64 L HA 0.155 4.497 4.340 0.004 0.000 0.234 64 L C 1.722 178.568 176.870 -0.040 0.000 1.156 64 L CA -0.071 54.746 54.840 -0.038 0.000 0.946 64 L CB 0.350 42.386 42.059 -0.038 0.000 1.216 64 L HN -0.194 nan 8.230 nan 0.000 0.493 65 S N -0.984 114.684 115.700 -0.053 0.000 2.453 65 S HA -0.062 4.410 4.470 0.004 0.000 0.231 65 S C 1.081 175.664 174.600 -0.028 0.000 1.005 65 S CA 0.771 58.944 58.200 -0.045 0.000 0.949 65 S CB 0.012 63.182 63.200 -0.050 0.000 0.774 65 S HN 0.494 nan 8.310 nan 0.000 0.510 66 T N 0.820 115.360 114.554 -0.024 0.000 2.855 66 T HA 0.745 5.097 4.350 0.004 0.000 0.281 66 T C -0.858 173.834 174.700 -0.015 0.000 1.007 66 T CA -0.394 61.693 62.100 -0.021 0.000 1.009 66 T CB 1.450 70.306 68.868 -0.020 0.000 0.983 66 T HN 0.184 nan 8.240 nan 0.000 0.455 67 A N 3.108 125.915 122.820 -0.022 0.000 2.609 67 A HA 0.601 4.923 4.320 0.004 0.000 0.291 67 A C 0.508 178.072 177.584 -0.033 0.000 1.096 67 A CA -0.619 51.406 52.037 -0.020 0.000 0.684 67 A CB 0.975 19.962 19.000 -0.022 0.000 1.282 67 A HN 0.770 nan 8.150 nan 0.000 0.412 68 D N 0.355 120.738 120.400 -0.029 0.000 2.144 68 D HA -0.012 4.631 4.640 0.004 0.000 0.200 68 D C 0.072 176.337 176.300 -0.058 0.000 0.978 68 D CA 1.521 55.501 54.000 -0.034 0.000 0.833 68 D CB 0.403 41.191 40.800 -0.021 0.000 0.961 68 D HN 0.647 nan 8.370 nan 0.000 0.470 69 E N -0.689 119.457 120.200 -0.090 0.000 2.340 69 E HA 0.447 4.799 4.350 0.004 0.000 0.273 69 E C -0.982 175.491 176.600 -0.211 0.000 0.891 69 E CA -0.491 55.824 56.400 -0.141 0.000 0.757 69 E CB 2.549 32.152 29.700 -0.162 0.000 1.231 69 E HN -0.216 nan 8.360 nan 0.000 0.439 70 T N 1.043 115.466 114.554 -0.220 0.000 2.893 70 T HA 0.510 4.862 4.350 0.004 0.000 0.293 70 T C -0.871 173.653 174.700 -0.293 0.000 1.027 70 T CA -0.594 61.357 62.100 -0.250 0.000 0.988 70 T CB 1.842 70.628 68.868 -0.138 0.000 1.043 70 T HN 0.292 nan 8.240 nan 0.000 0.461 71 T N 2.352 116.678 114.554 -0.380 0.000 2.879 71 T HA 0.344 4.697 4.350 0.004 0.000 0.290 71 T C -1.115 173.518 174.700 -0.112 0.000 0.993 71 T CA -0.730 61.192 62.100 -0.296 0.000 0.975 71 T CB 1.467 70.012 68.868 -0.538 0.000 0.981 71 T HN 0.600 nan 8.240 nan 0.000 0.439 72 D N 1.925 122.305 120.400 -0.033 0.000 2.313 72 D HA 0.141 4.784 4.640 0.004 0.000 0.239 72 D C 0.425 176.761 176.300 0.059 0.000 1.142 72 D CA -0.531 53.476 54.000 0.011 0.000 0.847 72 D CB 1.081 41.880 40.800 -0.000 0.000 1.082 72 D HN 0.554 nan 8.370 nan 0.000 0.480 73 C N 2.757 122.108 119.300 0.085 0.000 2.613 73 C HA 0.274 4.736 4.460 0.004 0.000 0.273 73 C C 1.682 176.683 174.990 0.019 0.000 1.304 73 C CA 0.090 59.169 59.018 0.100 0.000 1.702 73 C CB -1.184 26.642 27.740 0.144 0.000 1.792 73 C HN 0.902 nan 8.230 nan 0.000 0.588 74 G N 0.743 109.544 108.800 0.003 0.000 2.283 74 G HA2 -0.004 3.958 3.960 0.004 0.000 0.280 74 G HA3 -0.004 3.958 3.960 0.004 0.000 0.280 74 G C 1.002 175.882 174.900 -0.033 0.000 1.029 74 G CA 0.599 45.688 45.100 -0.019 0.000 0.840 74 G HN 1.526 nan 8.290 nan 0.000 0.505 75 G N -1.734 107.038 108.800 -0.045 0.000 2.155 75 G HA2 -0.324 3.639 3.960 0.004 0.000 0.257 75 G HA3 -0.324 3.639 3.960 0.004 0.000 0.257 75 G C 0.587 175.419 174.900 -0.113 0.000 0.983 75 G CA 1.057 46.103 45.100 -0.091 0.000 0.676 75 G HN 0.980 nan 8.290 nan 0.000 0.528 76 R N -1.289 119.183 120.500 -0.047 0.000 2.679 76 R HA 0.336 4.679 4.340 0.004 0.000 0.269 76 R C 0.094 176.420 176.300 0.044 0.000 1.076 76 R CA -0.344 55.776 56.100 0.033 0.000 1.160 76 R CB 0.400 30.727 30.300 0.045 0.000 1.054 76 R HN 0.281 nan 8.270 nan 0.000 0.507 77 W N 2.340 123.722 121.300 0.138 0.000 2.218 77 W HA 0.285 4.948 4.660 0.004 0.000 0.326 77 W C 0.034 176.701 176.519 0.248 0.000 1.276 77 W CA 0.016 57.463 57.345 0.170 0.000 1.210 77 W CB 0.544 30.110 29.460 0.177 0.000 1.143 77 W HN 0.275 nan 8.180 nan 0.000 0.563 78 I N 3.478 124.318 120.570 0.451 0.000 2.498 78 I HA 0.404 4.577 4.170 0.004 0.000 0.290 78 I C 0.151 176.481 176.117 0.355 0.000 1.032 78 I CA -0.775 60.715 61.300 0.318 0.000 1.073 78 I CB 1.878 39.899 38.000 0.035 0.000 1.251 78 I HN 0.355 nan 8.210 nan 0.000 0.426 79 T N 2.670 117.472 114.554 0.413 0.000 2.907 79 T HA 0.639 4.992 4.350 0.004 0.000 0.290 79 T C -2.918 171.951 174.700 0.282 0.000 1.066 79 T CA -2.479 59.825 62.100 0.341 0.000 1.012 79 T CB 2.086 71.202 68.868 0.413 0.000 1.184 79 T HN 0.106 nan 8.240 nan 0.000 0.522 80 P HA 0.396 nan 4.420 nan 0.000 0.272 80 P C -0.481 176.945 177.300 0.210 0.000 1.230 80 P CA -0.324 62.886 63.100 0.184 0.000 0.788 80 P CB 0.099 31.873 31.700 0.122 0.000 0.949 81 A N 2.518 125.438 122.820 0.168 0.000 2.483 81 A HA 0.205 4.528 4.320 0.004 0.000 0.238 81 A C 0.246 177.916 177.584 0.144 0.000 1.070 81 A CA -0.152 51.965 52.037 0.134 0.000 0.770 81 A CB -0.659 18.391 19.000 0.083 0.000 1.008 81 A HN 0.484 nan 8.150 nan 0.000 0.497 82 L N 1.160 122.479 121.223 0.160 0.000 2.464 82 L HA 0.343 4.685 4.340 0.004 0.000 0.264 82 L C -0.167 176.754 176.870 0.086 0.000 1.199 82 L CA 0.167 55.089 54.840 0.136 0.000 0.818 82 L CB 0.295 42.452 42.059 0.164 0.000 1.102 82 L HN 0.536 nan 8.230 nan 0.000 0.473 83 I N 1.045 121.656 120.570 0.069 0.000 2.466 83 I HA 0.207 4.380 4.170 0.004 0.000 0.289 83 I C -0.905 175.237 176.117 0.042 0.000 1.026 83 I CA -0.457 60.873 61.300 0.051 0.000 1.078 83 I CB 2.231 40.260 38.000 0.049 0.000 1.249 83 I HN 0.457 nan 8.210 nan 0.000 0.429 84 D N 5.580 126.001 120.400 0.036 0.000 2.473 84 D HA 0.202 4.844 4.640 0.004 0.000 0.226 84 D C 0.796 177.118 176.300 0.036 0.000 1.089 84 D CA -0.516 53.508 54.000 0.039 0.000 0.883 84 D CB 1.093 41.918 40.800 0.041 0.000 1.029 84 D HN 0.703 nan 8.370 nan 0.000 0.517 85 C N 2.569 121.894 119.300 0.040 0.000 2.576 85 C HA 0.296 4.758 4.460 0.004 0.000 0.267 85 C C 0.796 175.815 174.990 0.049 0.000 1.364 85 C CA -0.559 58.478 59.018 0.031 0.000 1.723 85 C CB -1.892 25.864 27.740 0.026 0.000 1.778 85 C HN 0.657 nan 8.230 nan 0.000 0.572 86 H N 0.548 119.584 119.070 -0.056 0.000 3.198 86 H HA 0.473 5.031 4.556 0.004 0.000 0.317 86 H C -0.490 174.804 175.328 -0.056 0.000 1.178 86 H CA 0.669 56.659 56.048 -0.096 0.000 1.609 86 H CB 0.724 30.405 29.762 -0.134 0.000 1.819 86 H HN 0.462 nan 8.280 nan 0.000 0.533 87 T N 1.212 115.741 114.554 -0.042 0.000 2.864 87 T HA 0.286 4.638 4.350 0.004 0.000 0.299 87 T C -0.697 173.936 174.700 -0.111 0.000 1.166 87 T CA -0.879 61.268 62.100 0.078 0.000 1.007 87 T CB 1.790 70.725 68.868 0.111 0.000 1.219 87 T HN 0.697 nan 8.240 nan 0.000 0.506 88 H N 2.252 121.439 119.070 0.196 0.000 2.534 88 H HA 0.275 4.834 4.556 0.004 0.000 0.250 88 H C 0.917 176.498 175.328 0.422 0.000 1.256 88 H CA -0.366 55.838 56.048 0.260 0.000 1.000 88 H CB 0.845 30.798 29.762 0.318 0.000 1.801 88 H HN 0.385 nan 8.280 nan 0.000 0.569 89 L N 0.839 122.267 121.223 0.341 0.000 2.129 89 L HA -0.126 4.216 4.340 0.004 0.000 0.212 89 L C 0.568 177.524 176.870 0.144 0.000 1.087 89 L CA 1.264 56.258 54.840 0.257 0.000 0.757 89 L CB 0.226 42.347 42.059 0.104 0.000 0.896 89 L HN 0.058 nan 8.230 nan 0.000 0.434 90 V N 0.844 120.887 119.914 0.216 0.000 2.383 90 V HA 0.398 4.520 4.120 0.004 0.000 0.275 90 V C -0.430 175.854 176.094 0.317 0.000 1.036 90 V CA -0.336 62.026 62.300 0.105 0.000 0.889 90 V CB 0.492 32.382 31.823 0.111 0.000 0.985 90 V HN 0.259 nan 8.190 nan 0.000 0.459 91 F N 2.236 122.241 119.950 0.091 0.000 2.793 91 F HA 0.715 5.244 4.527 0.004 0.000 0.316 91 F C -0.104 175.682 175.800 -0.023 0.000 1.147 91 F CA -0.923 57.091 58.000 0.023 0.000 0.930 91 F CB 0.725 39.644 39.000 -0.136 0.000 1.277 91 F HN 0.618 nan 8.300 nan 0.000 0.443 92 G N 0.551 109.455 108.800 0.174 0.000 2.412 92 G HA2 0.645 4.607 3.960 0.004 0.000 0.318 92 G HA3 0.645 4.607 3.960 0.004 0.000 0.318 92 G C 0.245 175.245 174.900 0.167 0.000 1.146 92 G CA -0.179 44.973 45.100 0.087 0.000 0.882 92 G HN 2.036 nan 8.290 nan 0.000 0.501 93 G N 1.044 109.903 108.800 0.098 0.000 2.598 93 G HA2 0.088 4.050 3.960 0.004 0.000 0.269 93 G HA3 0.088 4.050 3.960 0.004 0.000 0.269 93 G C -0.029 174.988 174.900 0.194 0.000 1.289 93 G CA 0.595 45.756 45.100 0.103 0.000 0.926 93 G HN 2.050 nan 8.290 nan 0.000 0.567 94 N N -2.636 116.126 118.700 0.103 0.000 2.934 94 N HA 0.672 5.414 4.740 0.004 0.000 0.253 94 N C -0.072 175.436 175.510 -0.003 0.000 1.466 94 N CA -0.920 52.177 53.050 0.077 0.000 0.858 94 N CB 0.942 39.480 38.487 0.085 0.000 1.459 94 N HN 0.550 nan 8.380 nan 0.000 0.532 95 R N -0.241 120.239 120.500 -0.034 0.000 2.700 95 R HA 0.402 4.745 4.340 0.004 0.000 0.377 95 R C 0.335 176.653 176.300 0.030 0.000 1.130 95 R CA -0.027 56.063 56.100 -0.016 0.000 1.055 95 R CB 0.226 30.499 30.300 -0.045 0.000 1.387 95 R HN 0.733 nan 8.270 nan 0.000 0.580 96 A N 1.039 123.870 122.820 0.019 0.000 2.015 96 A HA -0.135 4.188 4.320 0.004 0.000 0.219 96 A C 2.114 179.773 177.584 0.125 0.000 1.163 96 A CA 0.895 52.959 52.037 0.045 0.000 0.646 96 A CB -0.204 18.797 19.000 0.000 0.000 0.806 96 A HN 0.322 nan 8.150 nan 0.000 0.448 97 M N 0.450 120.097 119.600 0.078 0.000 2.059 97 M HA -0.226 4.256 4.480 0.004 0.000 0.259 97 M C 2.208 178.558 176.300 0.082 0.000 1.072 97 M CA 2.515 57.856 55.300 0.069 0.000 1.117 97 M CB -0.416 32.206 32.600 0.036 0.000 1.320 97 M HN 0.678 nan 8.290 nan 0.000 0.408 98 E N -0.670 119.577 120.200 0.079 0.000 2.204 98 E HA -0.229 4.124 4.350 0.004 0.000 0.194 98 E C 1.906 178.565 176.600 0.099 0.000 0.989 98 E CA 1.227 57.669 56.400 0.070 0.000 0.824 98 E CB -0.979 28.758 29.700 0.061 0.000 0.756 98 E HN 0.619 nan 8.360 nan 0.000 0.477 99 F N 2.439 122.384 119.950 -0.008 0.000 2.075 99 F HA -0.172 4.357 4.527 0.003 0.000 0.297 99 F C 2.357 178.152 175.800 -0.009 0.000 1.113 99 F CA 2.172 60.166 58.000 -0.011 0.000 1.218 99 F CB -0.139 38.857 39.000 -0.008 0.000 0.984 99 F HN -0.001 nan 8.300 nan 0.000 0.472 100 E N -0.021 120.275 120.200 0.161 0.000 2.077 100 E HA -0.253 4.100 4.350 0.004 0.000 0.193 100 E C 2.280 178.853 176.600 -0.045 0.000 0.989 100 E CA 1.699 58.124 56.400 0.042 0.000 0.800 100 E CB -0.190 29.572 29.700 0.103 0.000 0.746 100 E HN 0.497 nan 8.360 nan 0.000 0.452 101 M N -0.025 119.565 119.600 -0.017 0.000 2.086 101 M HA -0.173 4.309 4.480 0.004 0.000 0.261 101 M C 2.462 178.724 176.300 -0.063 0.000 1.067 101 M CA 1.543 56.825 55.300 -0.031 0.000 1.116 101 M CB -0.269 32.323 32.600 -0.012 0.000 1.348 101 M HN 0.045 nan 8.290 nan 0.000 0.407 102 R N 0.416 120.864 120.500 -0.086 0.000 2.091 102 R HA -0.129 4.214 4.340 0.004 0.000 0.238 102 R C 2.083 178.291 176.300 -0.152 0.000 1.136 102 R CA 1.308 57.342 56.100 -0.109 0.000 0.959 102 R CB -0.677 29.546 30.300 -0.129 0.000 0.856 102 R HN 0.412 nan 8.270 nan 0.000 0.437 103 L N 0.785 121.870 121.223 -0.230 0.000 2.275 103 L HA -0.120 4.223 4.340 0.004 0.000 0.215 103 L C 1.353 178.147 176.870 -0.126 0.000 1.119 103 L CA 0.730 55.438 54.840 -0.220 0.000 0.790 103 L CB -0.311 41.564 42.059 -0.308 0.000 0.919 103 L HN 0.173 nan 8.230 nan 0.000 0.443 104 N N 0.215 118.858 118.700 -0.096 0.000 2.383 104 N HA 0.043 4.786 4.740 0.004 0.000 0.192 104 N C 1.274 176.754 175.510 -0.051 0.000 1.141 104 N CA 0.929 53.943 53.050 -0.060 0.000 0.851 104 N CB 0.786 39.247 38.487 -0.043 0.000 0.976 104 N HN 0.379 nan 8.380 nan 0.000 0.465 105 G N -0.125 108.640 108.800 -0.059 0.000 2.141 105 G HA2 -0.246 3.716 3.960 0.004 0.000 0.242 105 G HA3 -0.246 3.716 3.960 0.004 0.000 0.242 105 G C 0.257 175.137 174.900 -0.034 0.000 0.982 105 G CA 0.123 45.196 45.100 -0.045 0.000 0.662 105 G HN 0.570 nan 8.290 nan 0.000 0.527 106 A N 0.576 123.376 122.820 -0.034 0.000 2.462 106 A HA 0.678 5.000 4.320 0.004 0.000 0.243 106 A C 1.117 178.695 177.584 -0.009 0.000 1.076 106 A CA 1.162 53.185 52.037 -0.024 0.000 0.773 106 A CB 0.190 19.175 19.000 -0.025 0.000 1.010 106 A HN 1.830 nan 8.150 nan 0.000 0.493 107 T N -0.335 114.217 114.554 -0.003 0.000 2.849 107 T HA 0.245 4.597 4.350 0.004 0.000 0.284 107 T C 0.868 175.599 174.700 0.052 0.000 1.004 107 T CA 0.165 62.279 62.100 0.025 0.000 1.021 107 T CB 0.298 69.175 68.868 0.014 0.000 1.013 107 T HN 0.633 nan 8.240 nan 0.000 0.527 108 Y N 0.661 120.941 120.300 -0.034 0.000 2.207 108 Y HA -0.093 4.459 4.550 0.004 0.000 0.287 108 Y C 2.494 178.377 175.900 -0.029 0.000 1.156 108 Y CA 2.051 60.132 58.100 -0.032 0.000 1.182 108 Y CB -0.355 38.085 38.460 -0.033 0.000 0.979 108 Y HN 0.813 nan 8.280 nan 0.000 0.521 109 E N 0.884 121.006 120.200 -0.129 0.000 2.077 109 E HA -0.218 4.135 4.350 0.004 0.000 0.193 109 E C 1.878 178.365 176.600 -0.187 0.000 0.989 109 E CA 1.797 58.076 56.400 -0.201 0.000 0.800 109 E CB -0.087 29.568 29.700 -0.074 0.000 0.746 109 E HN 0.737 nan 8.360 nan 0.000 0.452 110 E N -0.092 120.039 120.200 -0.114 0.000 2.106 110 E HA -0.095 4.257 4.350 0.004 0.000 0.192 110 E C 2.322 178.859 176.600 -0.104 0.000 0.984 110 E CA 0.761 57.108 56.400 -0.089 0.000 0.806 110 E CB -0.025 29.645 29.700 -0.051 0.000 0.750 110 E HN 0.311 nan 8.360 nan 0.000 0.458 111 I N 1.108 121.605 120.570 -0.122 0.000 2.353 111 I HA -0.205 3.968 4.170 0.004 0.000 0.248 111 I C 2.546 178.562 176.117 -0.168 0.000 1.119 111 I CA 0.693 61.930 61.300 -0.104 0.000 1.417 111 I CB -0.252 37.724 38.000 -0.039 0.000 1.078 111 I HN 0.066 nan 8.210 nan 0.000 0.421 112 A N 1.007 123.629 122.820 -0.330 0.000 1.877 112 A HA -0.229 4.093 4.320 0.004 0.000 0.216 112 A C 2.299 179.773 177.584 -0.183 0.000 1.186 112 A CA 1.646 53.483 52.037 -0.335 0.000 0.620 112 A CB -0.462 18.215 19.000 -0.537 0.000 0.822 112 A HN 0.307 nan 8.150 nan 0.000 0.443 113 K N -0.446 119.859 120.400 -0.158 0.000 2.209 113 K HA -0.012 4.310 4.320 0.004 0.000 0.204 113 K C 1.825 178.382 176.600 -0.072 0.000 1.048 113 K CA 0.933 57.160 56.287 -0.100 0.000 0.940 113 K CB -0.232 32.217 32.500 -0.085 0.000 0.729 113 K HN 0.446 nan 8.250 nan 0.000 0.451 114 A N 0.361 123.138 122.820 -0.072 0.000 2.238 114 A HA 0.180 4.502 4.320 0.004 0.000 0.208 114 A C 1.268 178.828 177.584 -0.040 0.000 1.177 114 A CA 0.801 52.810 52.037 -0.046 0.000 0.804 114 A CB -0.254 18.723 19.000 -0.038 0.000 0.823 114 A HN 0.403 nan 8.150 nan 0.000 0.482 115 G N -1.966 106.803 108.800 -0.052 0.000 2.132 115 G HA2 -0.017 3.945 3.960 0.004 0.000 0.234 115 G HA3 -0.017 3.945 3.960 0.004 0.000 0.234 115 G C 0.656 175.536 174.900 -0.033 0.000 0.989 115 G CA 0.253 45.330 45.100 -0.039 0.000 0.676 115 G HN 1.305 nan 8.290 nan 0.000 0.522 116 G N -0.986 107.788 108.800 -0.042 0.000 2.547 116 G HA2 0.872 4.835 3.960 0.004 0.000 0.291 116 G HA3 0.872 4.835 3.960 0.004 0.000 0.291 116 G C 0.781 175.681 174.900 -0.001 0.000 1.211 116 G CA 0.843 45.933 45.100 -0.017 0.000 0.950 116 G HN 1.997 nan 8.290 nan 0.000 0.504 117 G N -1.309 107.517 108.800 0.042 0.000 2.592 117 G HA2 -0.108 3.855 3.960 0.004 0.000 0.684 117 G HA3 -0.108 3.855 3.960 0.004 0.000 0.684 117 G C 0.848 175.768 174.900 0.032 0.000 1.291 117 G CA -0.005 45.147 45.100 0.086 0.000 0.891 117 G HN 1.247 nan 8.290 nan 0.000 0.544 118 I N 0.021 120.611 120.570 0.033 0.000 2.423 118 I HA -0.105 4.068 4.170 0.004 0.000 0.254 118 I C 2.582 178.707 176.117 0.014 0.000 1.151 118 I CA 2.074 63.383 61.300 0.013 0.000 1.421 118 I CB -0.155 37.847 38.000 0.004 0.000 1.079 118 I HN 0.639 nan 8.210 nan 0.000 0.431 119 V N -0.335 119.587 119.914 0.014 0.000 2.568 119 V HA -0.295 3.827 4.120 0.004 0.000 0.253 119 V C 2.446 178.543 176.094 0.006 0.000 1.072 119 V CA 2.393 64.701 62.300 0.013 0.000 1.084 119 V CB -0.222 31.604 31.823 0.006 0.000 0.676 119 V HN 0.626 nan 8.190 nan 0.000 0.469 120 S N -0.696 114.998 115.700 -0.010 0.000 2.368 120 S HA -0.173 4.300 4.470 0.004 0.000 0.225 120 S C 2.151 176.730 174.600 -0.034 0.000 1.030 120 S CA 2.125 60.314 58.200 -0.019 0.000 0.999 120 S CB -0.308 62.878 63.200 -0.025 0.000 0.844 120 S HN 0.753 nan 8.310 nan 0.000 0.459 121 S N 0.548 116.197 115.700 -0.085 0.000 2.387 121 S HA -0.013 4.460 4.470 0.004 0.000 0.226 121 S C 1.890 176.461 174.600 -0.049 0.000 1.026 121 S CA 1.160 59.255 58.200 -0.174 0.000 0.972 121 S CB -0.345 62.547 63.200 -0.514 0.000 0.814 121 S HN 0.413 nan 8.310 nan 0.000 0.477 122 V N 1.998 121.937 119.914 0.040 0.000 2.307 122 V HA -0.156 3.967 4.120 0.004 0.000 0.245 122 V C 2.457 178.599 176.094 0.080 0.000 1.045 122 V CA 1.630 63.998 62.300 0.113 0.000 1.024 122 V CB -0.596 31.294 31.823 0.111 0.000 0.651 122 V HN 0.348 nan 8.190 nan 0.000 0.449 123 R N -0.035 120.494 120.500 0.049 0.000 2.083 123 R HA -0.176 4.166 4.340 0.004 0.000 0.237 123 R C 2.145 178.471 176.300 0.043 0.000 1.137 123 R CA 1.918 58.043 56.100 0.042 0.000 0.951 123 R CB -0.452 29.863 30.300 0.025 0.000 0.851 123 R HN 0.529 nan 8.270 nan 0.000 0.434 124 D N -0.522 119.899 120.400 0.035 0.000 2.117 124 D HA -0.099 4.543 4.640 0.004 0.000 0.198 124 D C 1.816 178.150 176.300 0.055 0.000 0.982 124 D CA 1.490 55.513 54.000 0.038 0.000 0.828 124 D CB -0.316 40.505 40.800 0.035 0.000 0.967 124 D HN 0.187 nan 8.370 nan 0.000 0.464 125 T N 0.838 115.438 114.554 0.077 0.000 2.788 125 T HA -0.084 4.268 4.350 0.004 0.000 0.268 125 T C 2.000 176.757 174.700 0.095 0.000 1.044 125 T CA 0.806 62.970 62.100 0.106 0.000 1.139 125 T CB 0.056 69.029 68.868 0.175 0.000 0.867 125 T HN 0.144 nan 8.240 nan 0.000 0.454 126 R N 0.845 121.399 120.500 0.090 0.000 2.090 126 R HA 0.130 4.473 4.340 0.004 0.000 0.228 126 R C 2.793 179.129 176.300 0.060 0.000 1.110 126 R CA 1.143 57.291 56.100 0.081 0.000 0.973 126 R CB -0.345 30.004 30.300 0.080 0.000 0.869 126 R HN 0.344 nan 8.270 nan 0.000 0.440 127 A N 1.244 124.094 122.820 0.051 0.000 1.968 127 A HA 0.022 4.344 4.320 0.004 0.000 0.217 127 A C 1.056 178.659 177.584 0.033 0.000 1.169 127 A CA 0.591 52.651 52.037 0.038 0.000 0.638 127 A CB -0.217 18.802 19.000 0.032 0.000 0.812 127 A HN 0.089 nan 8.150 nan 0.000 0.446 128 L N 1.421 122.664 121.223 0.034 0.000 2.349 128 L HA 0.261 4.604 4.340 0.004 0.000 0.275 128 L C 0.984 177.869 176.870 0.025 0.000 1.115 128 L CA -0.513 54.341 54.840 0.024 0.000 0.820 128 L CB 1.183 43.253 42.059 0.017 0.000 1.135 128 L HN 0.389 nan 8.230 nan 0.000 0.445 129 S N 0.248 115.958 115.700 0.017 0.000 2.589 129 S HA -0.029 4.444 4.470 0.004 0.000 0.265 129 S C 1.011 175.620 174.600 0.015 0.000 1.342 129 S CA -0.201 58.010 58.200 0.017 0.000 1.005 129 S CB 0.809 64.015 63.200 0.011 0.000 0.909 129 S HN 0.792 nan 8.310 nan 0.000 0.555 130 D N 0.801 121.211 120.400 0.017 0.000 2.123 130 D HA -0.248 4.395 4.640 0.004 0.000 0.196 130 D C 1.390 177.692 176.300 0.003 0.000 0.992 130 D CA 1.739 55.748 54.000 0.015 0.000 0.833 130 D CB -0.651 40.159 40.800 0.017 0.000 0.954 130 D HN 0.827 nan 8.370 nan 0.000 0.455 131 E N 0.260 120.460 120.200 0.001 0.000 2.077 131 E HA -0.109 4.244 4.350 0.004 0.000 0.193 131 E C 2.486 179.078 176.600 -0.013 0.000 0.989 131 E CA 1.035 57.431 56.400 -0.006 0.000 0.800 131 E CB 0.068 29.765 29.700 -0.005 0.000 0.746 131 E HN 0.198 nan 8.360 nan 0.000 0.452 132 V N 1.513 121.420 119.914 -0.011 0.000 2.427 132 V HA -0.217 3.905 4.120 0.004 0.000 0.248 132 V C 2.307 178.381 176.094 -0.033 0.000 1.051 132 V CA 1.248 63.536 62.300 -0.019 0.000 1.048 132 V CB -0.391 31.426 31.823 -0.011 0.000 0.666 132 V HN 0.255 nan 8.190 nan 0.000 0.456 133 L N -0.508 120.699 121.223 -0.026 0.000 2.083 133 L HA -0.144 4.198 4.340 0.004 0.000 0.209 133 L C 2.479 179.312 176.870 -0.062 0.000 1.083 133 L CA 1.005 55.819 54.840 -0.044 0.000 0.752 133 L CB -0.578 41.475 42.059 -0.011 0.000 0.899 133 L HN 0.203 nan 8.230 nan 0.000 0.433 134 V N 0.094 119.984 119.914 -0.040 0.000 2.295 134 V HA -0.303 3.819 4.120 0.004 0.000 0.246 134 V C 2.728 178.788 176.094 -0.058 0.000 1.049 134 V CA 1.921 64.195 62.300 -0.043 0.000 1.024 134 V CB -0.765 31.041 31.823 -0.028 0.000 0.648 134 V HN 0.494 nan 8.190 nan 0.000 0.447 135 A N -1.243 121.546 122.820 -0.052 0.000 1.930 135 A HA -0.250 4.072 4.320 0.004 0.000 0.217 135 A C 2.148 179.686 177.584 -0.075 0.000 1.175 135 A CA 1.650 53.654 52.037 -0.054 0.000 0.627 135 A CB -0.423 18.553 19.000 -0.041 0.000 0.815 135 A HN 0.623 nan 8.150 nan 0.000 0.443 136 Q N -1.011 118.730 119.800 -0.098 0.000 2.230 136 Q HA 0.006 4.348 4.340 0.004 0.000 0.202 136 Q C 2.226 178.108 176.000 -0.196 0.000 0.963 136 Q CA 0.988 56.706 55.803 -0.141 0.000 0.866 136 Q CB -0.202 28.437 28.738 -0.164 0.000 0.931 136 Q HN 0.701 nan 8.270 nan 0.000 0.452 137 A N 0.392 123.104 122.820 -0.181 0.000 1.975 137 A HA -0.017 4.305 4.320 0.004 0.000 0.215 137 A C 1.968 179.485 177.584 -0.113 0.000 1.170 137 A CA 0.262 52.190 52.037 -0.181 0.000 0.656 137 A CB -0.331 18.583 19.000 -0.144 0.000 0.821 137 A HN 0.242 nan 8.150 nan 0.000 0.449 138 L N -0.255 120.915 121.223 -0.088 0.000 2.021 138 L HA -0.181 4.161 4.340 0.004 0.000 0.215 138 L C -0.518 176.315 176.870 -0.062 0.000 1.074 138 L CA 1.858 56.657 54.840 -0.068 0.000 0.760 138 L CB -1.352 40.672 42.059 -0.058 0.000 0.889 138 L HN 0.254 nan 8.230 nan 0.000 0.433 139 P HA -0.136 nan 4.420 nan 0.000 0.217 139 P C 1.354 178.629 177.300 -0.041 0.000 1.150 139 P CA 1.298 64.369 63.100 -0.049 0.000 0.832 139 P CB -0.020 31.652 31.700 -0.047 0.000 0.787 140 R N -1.041 119.431 120.500 -0.047 0.000 2.062 140 R HA -0.056 4.286 4.340 0.004 0.000 0.229 140 R C 2.201 178.489 176.300 -0.019 0.000 1.128 140 R CA 0.920 57.008 56.100 -0.020 0.000 0.960 140 R CB -1.364 28.927 30.300 -0.015 0.000 0.855 140 R HN 0.160 nan 8.270 nan 0.000 0.432 141 L N 1.761 122.961 121.223 -0.037 0.000 2.012 141 L HA -0.182 4.161 4.340 0.004 0.000 0.210 141 L C 1.398 178.238 176.870 -0.050 0.000 1.073 141 L CA 1.980 56.794 54.840 -0.043 0.000 0.748 141 L CB -0.531 41.494 42.059 -0.057 0.000 0.891 141 L HN 0.060 nan 8.230 nan 0.000 0.431 142 D N -1.051 119.317 120.400 -0.053 0.000 2.178 142 D HA -0.157 4.486 4.640 0.004 0.000 0.201 142 D C 2.044 178.316 176.300 -0.046 0.000 0.980 142 D CA 1.747 55.714 54.000 -0.056 0.000 0.842 142 D CB -0.167 40.601 40.800 -0.053 0.000 0.948 142 D HN 0.422 nan 8.370 nan 0.000 0.472 143 T N 0.979 115.513 114.554 -0.033 0.000 2.821 143 T HA -0.051 4.302 4.350 0.004 0.000 0.267 143 T C 2.236 176.926 174.700 -0.017 0.000 1.046 143 T CA 0.473 62.559 62.100 -0.023 0.000 1.139 143 T CB -0.134 68.728 68.868 -0.011 0.000 0.871 143 T HN 0.129 nan 8.240 nan 0.000 0.454 144 L N 0.393 121.608 121.223 -0.014 0.000 2.056 144 L HA 0.001 4.343 4.340 0.004 0.000 0.207 144 L C 2.459 179.315 176.870 -0.022 0.000 1.078 144 L CA 1.053 55.890 54.840 -0.006 0.000 0.749 144 L CB -0.558 41.500 42.059 -0.002 0.000 0.901 144 L HN 0.247 nan 8.230 nan 0.000 0.433 145 L N -0.347 120.844 121.223 -0.053 0.000 2.079 145 L HA -0.202 4.141 4.340 0.004 0.000 0.210 145 L C 2.800 179.624 176.870 -0.077 0.000 1.081 145 L CA 1.518 56.309 54.840 -0.083 0.000 0.752 145 L CB -0.736 41.256 42.059 -0.113 0.000 0.896 145 L HN 0.415 nan 8.230 nan 0.000 0.433 146 S N -0.894 114.769 115.700 -0.061 0.000 2.469 146 S HA -0.177 4.295 4.470 0.004 0.000 0.238 146 S C 1.434 176.008 174.600 -0.045 0.000 0.998 146 S CA 0.947 59.109 58.200 -0.063 0.000 0.957 146 S CB -0.273 62.896 63.200 -0.053 0.000 0.764 146 S HN 0.518 nan 8.310 nan 0.000 0.514 147 E N 0.399 120.595 120.200 -0.005 0.000 2.465 147 E HA 0.323 4.676 4.350 0.004 0.000 0.195 147 E C 0.957 177.624 176.600 0.112 0.000 1.028 147 E CA 0.122 56.571 56.400 0.081 0.000 0.899 147 E CB 0.161 29.924 29.700 0.106 0.000 1.032 147 E HN 0.692 nan 8.360 nan 0.000 0.468 148 G N 0.949 109.726 108.800 -0.038 0.000 2.157 148 G HA2 -0.257 3.705 3.960 0.004 0.000 0.248 148 G HA3 -0.257 3.705 3.960 0.004 0.000 0.248 148 G C 0.353 175.259 174.900 0.011 0.000 0.979 148 G CA 0.074 45.123 45.100 -0.085 0.000 0.650 148 G HN 0.161 nan 8.290 nan 0.000 0.529 149 V N 1.406 121.328 119.914 0.013 0.000 2.614 149 V HA 0.531 4.653 4.120 0.004 0.000 0.291 149 V C 1.438 177.502 176.094 -0.050 0.000 1.049 149 V CA 1.055 63.362 62.300 0.012 0.000 1.038 149 V CB 1.544 33.372 31.823 0.007 0.000 0.980 149 V HN 0.948 nan 8.190 nan 0.000 0.481 150 S N 1.668 117.353 115.700 -0.025 0.000 2.628 150 S HA 0.177 4.650 4.470 0.004 0.000 0.246 150 S C 0.530 175.103 174.600 -0.044 0.000 1.062 150 S CA -0.127 58.025 58.200 -0.079 0.000 1.028 150 S CB 0.650 63.911 63.200 0.101 0.000 0.985 150 S HN 0.628 nan 8.310 nan 0.000 0.551 151 T N 2.527 117.091 114.554 0.017 0.000 2.848 151 T HA 0.713 5.065 4.350 0.004 0.000 0.285 151 T C -1.053 173.653 174.700 0.009 0.000 0.995 151 T CA -0.379 61.741 62.100 0.033 0.000 0.970 151 T CB 1.457 70.367 68.868 0.070 0.000 0.976 151 T HN 0.275 nan 8.240 nan 0.000 0.441 152 I N 1.974 122.542 120.570 -0.003 0.000 2.569 152 I HA 0.380 4.553 4.170 0.004 0.000 0.290 152 I C -0.242 175.870 176.117 -0.008 0.000 1.088 152 I CA -0.896 60.401 61.300 -0.004 0.000 1.047 152 I CB 2.352 40.343 38.000 -0.015 0.000 1.237 152 I HN 0.462 nan 8.210 nan 0.000 0.421 153 E N 7.115 127.306 120.200 -0.014 0.000 2.197 153 E HA 0.535 4.888 4.350 0.004 0.000 0.281 153 E C -1.442 175.122 176.600 -0.061 0.000 0.995 153 E CA -0.451 55.925 56.400 -0.040 0.000 0.808 153 E CB 1.513 31.177 29.700 -0.060 0.000 1.093 153 E HN 0.500 nan 8.360 nan 0.000 0.394 154 I N 4.126 124.661 120.570 -0.059 0.000 2.465 154 I HA 0.309 4.481 4.170 0.004 0.000 0.291 154 I C -0.079 175.986 176.117 -0.087 0.000 1.014 154 I CA -0.801 60.466 61.300 -0.055 0.000 1.093 154 I CB 1.846 39.845 38.000 -0.002 0.000 1.267 154 I HN 0.257 nan 8.210 nan 0.000 0.431 155 K N 3.617 123.924 120.400 -0.154 0.000 2.166 155 K HA 0.571 4.894 4.320 0.004 0.000 0.245 155 K C 0.130 176.697 176.600 -0.054 0.000 0.967 155 K CA -0.704 55.478 56.287 -0.174 0.000 0.863 155 K CB 1.891 34.149 32.500 -0.403 0.000 1.107 155 K HN 0.702 nan 8.250 nan 0.000 0.436 156 S N -0.483 115.186 115.700 -0.053 0.000 2.301 156 S HA 0.561 5.034 4.470 0.004 0.000 0.245 156 S C 1.108 175.670 174.600 -0.062 0.000 1.191 156 S CA 0.058 58.262 58.200 0.006 0.000 1.032 156 S CB 0.114 63.318 63.200 0.008 0.000 1.104 156 S HN 0.950 nan 8.310 nan 0.000 0.453 157 G N -1.019 107.746 108.800 -0.058 0.000 2.176 157 G HA2 -0.183 3.779 3.960 0.004 0.000 0.232 157 G HA3 -0.183 3.779 3.960 0.004 0.000 0.232 157 G C 0.016 174.902 174.900 -0.024 0.000 0.986 157 G CA 0.336 45.405 45.100 -0.051 0.000 0.643 157 G HN 0.590 nan 8.290 nan 0.000 0.522 158 Y N 0.549 120.970 120.300 0.201 0.000 2.660 158 Y HA 0.476 5.028 4.550 0.004 0.000 0.254 158 Y C 2.037 178.009 175.900 0.120 0.000 1.176 158 Y CA 0.230 58.423 58.100 0.155 0.000 1.195 158 Y CB 0.659 39.222 38.460 0.171 0.000 1.190 158 Y HN 0.246 nan 8.280 nan 0.000 0.535 159 G N -0.719 108.216 108.800 0.226 0.000 2.662 159 G HA2 0.090 4.053 3.960 0.004 0.000 0.207 159 G HA3 0.090 4.053 3.960 0.004 0.000 0.207 159 G C 0.786 175.786 174.900 0.167 0.000 1.154 159 G CA 0.209 45.416 45.100 0.178 0.000 0.837 159 G HN 0.287 nan 8.290 nan 0.000 0.580 160 L N 0.827 122.157 121.223 0.177 0.000 4.232 160 L HA -0.166 4.177 4.340 0.004 0.000 0.415 160 L C -0.856 176.183 176.870 0.281 0.000 1.168 160 L CA 0.731 55.721 54.840 0.249 0.000 0.966 160 L CB -2.363 39.786 42.059 0.151 0.000 2.052 160 L HN 0.641 nan 8.230 nan 0.000 0.887 161 D N -2.629 117.885 120.400 0.190 0.000 2.655 161 D HA 0.503 5.146 4.640 0.004 0.000 0.229 161 D C 0.718 177.087 176.300 0.114 0.000 1.229 161 D CA -0.829 53.262 54.000 0.152 0.000 0.807 161 D CB 0.462 41.353 40.800 0.150 0.000 1.514 161 D HN -0.063 nan 8.370 nan 0.000 0.444 162 I N 0.240 120.862 120.570 0.087 0.000 2.118 162 I HA -0.260 3.913 4.170 0.004 0.000 0.241 162 I C 1.931 178.105 176.117 0.095 0.000 1.070 162 I CA 1.238 62.591 61.300 0.088 0.000 1.327 162 I CB -0.222 37.812 38.000 0.058 0.000 1.034 162 I HN 0.462 nan 8.210 nan 0.000 0.405 163 E N 0.543 120.793 120.200 0.082 0.000 2.085 163 E HA -0.178 4.174 4.350 0.004 0.000 0.194 163 E C 2.270 178.921 176.600 0.085 0.000 0.994 163 E CA 1.921 58.366 56.400 0.075 0.000 0.801 163 E CB -0.654 29.085 29.700 0.065 0.000 0.743 163 E HN 0.501 nan 8.360 nan 0.000 0.453 164 T N 1.721 116.333 114.554 0.098 0.000 2.857 164 T HA -0.065 4.287 4.350 0.004 0.000 0.266 164 T C 1.605 176.376 174.700 0.118 0.000 1.048 164 T CA 0.760 62.923 62.100 0.106 0.000 1.139 164 T CB 0.030 68.968 68.868 0.116 0.000 0.874 164 T HN 0.072 nan 8.240 nan 0.000 0.455 165 E N 1.336 121.612 120.200 0.126 0.000 2.077 165 E HA -0.011 4.342 4.350 0.004 0.000 0.193 165 E C 2.272 178.965 176.600 0.154 0.000 0.989 165 E CA 0.776 57.257 56.400 0.134 0.000 0.800 165 E CB -0.371 29.414 29.700 0.143 0.000 0.746 165 E HN 0.469 nan 8.360 nan 0.000 0.452 166 L N 0.694 122.002 121.223 0.143 0.000 2.093 166 L HA -0.125 4.217 4.340 0.004 0.000 0.208 166 L C 2.673 179.596 176.870 0.087 0.000 1.085 166 L CA 1.028 55.937 54.840 0.114 0.000 0.755 166 L CB -0.386 41.721 42.059 0.080 0.000 0.904 166 L HN 0.080 nan 8.230 nan 0.000 0.435 167 K N 0.622 121.071 120.400 0.082 0.000 2.063 167 K HA -0.201 4.121 4.320 0.004 0.000 0.208 167 K C 2.177 178.820 176.600 0.072 0.000 1.048 167 K CA 1.503 57.831 56.287 0.068 0.000 0.928 167 K CB -0.058 32.483 32.500 0.067 0.000 0.713 167 K HN 0.188 nan 8.250 nan 0.000 0.442 168 M N 0.707 120.363 119.600 0.093 0.000 2.117 168 M HA -0.181 4.301 4.480 0.004 0.000 0.262 168 M C 2.126 178.474 176.300 0.079 0.000 1.065 168 M CA 1.533 56.891 55.300 0.098 0.000 1.114 168 M CB -0.258 32.420 32.600 0.129 0.000 1.361 168 M HN 0.177 nan 8.290 nan 0.000 0.408 169 L N -0.680 120.593 121.223 0.085 0.000 2.093 169 L HA -0.182 4.160 4.340 0.004 0.000 0.208 169 L C 2.620 179.519 176.870 0.048 0.000 1.085 169 L CA 1.205 56.088 54.840 0.071 0.000 0.755 169 L CB -0.655 41.459 42.059 0.092 0.000 0.904 169 L HN 0.282 nan 8.230 nan 0.000 0.435 170 R N -0.421 120.106 120.500 0.045 0.000 2.081 170 R HA -0.111 4.231 4.340 0.004 0.000 0.235 170 R C 2.273 178.587 176.300 0.023 0.000 1.131 170 R CA 1.151 57.269 56.100 0.030 0.000 0.960 170 R CB -0.568 29.749 30.300 0.028 0.000 0.856 170 R HN 0.188 nan 8.270 nan 0.000 0.436 171 V N 1.308 121.239 119.914 0.028 0.000 2.287 171 V HA -0.272 3.850 4.120 0.004 0.000 0.248 171 V C 2.528 178.629 176.094 0.010 0.000 1.053 171 V CA 2.035 64.345 62.300 0.017 0.000 1.027 171 V CB -0.756 31.079 31.823 0.021 0.000 0.646 171 V HN 0.407 nan 8.190 nan 0.000 0.447 172 A N -0.241 122.591 122.820 0.020 0.000 1.902 172 A HA -0.211 4.111 4.320 0.004 0.000 0.217 172 A C 2.365 179.952 177.584 0.006 0.000 1.181 172 A CA 1.581 53.625 52.037 0.013 0.000 0.623 172 A CB -0.473 18.540 19.000 0.021 0.000 0.818 172 A HN 0.407 nan 8.150 nan 0.000 0.443 173 R N -0.800 119.707 120.500 0.011 0.000 2.081 173 R HA -0.114 4.228 4.340 0.004 0.000 0.235 173 R C 2.275 178.577 176.300 0.003 0.000 1.131 173 R CA 1.632 57.737 56.100 0.009 0.000 0.960 173 R CB -0.639 29.668 30.300 0.011 0.000 0.856 173 R HN 0.510 nan 8.270 nan 0.000 0.436 174 R N 1.404 121.905 120.500 0.002 0.000 2.096 174 R HA -0.023 4.320 4.340 0.004 0.000 0.235 174 R C 2.255 178.548 176.300 -0.012 0.000 1.127 174 R CA 1.168 57.266 56.100 -0.003 0.000 0.968 174 R CB -0.810 29.488 30.300 -0.003 0.000 0.861 174 R HN 0.210 nan 8.270 nan 0.000 0.440 175 L N 0.207 121.421 121.223 -0.016 0.000 2.079 175 L HA -0.151 4.192 4.340 0.004 0.000 0.210 175 L C 2.426 179.274 176.870 -0.036 0.000 1.081 175 L CA 1.854 56.676 54.840 -0.030 0.000 0.752 175 L CB -0.484 41.555 42.059 -0.033 0.000 0.896 175 L HN 0.385 nan 8.230 nan 0.000 0.433 176 E N -0.260 119.925 120.200 -0.025 0.000 2.265 176 E HA -0.206 4.147 4.350 0.004 0.000 0.196 176 E C 1.831 178.424 176.600 -0.011 0.000 0.996 176 E CA 1.470 57.856 56.400 -0.023 0.000 0.832 176 E CB 0.164 29.865 29.700 0.001 0.000 0.756 176 E HN 0.539 nan 8.360 nan 0.000 0.491 177 T N -2.432 112.117 114.554 -0.009 0.000 3.081 177 T HA 0.102 4.454 4.350 0.004 0.000 0.250 177 T C 1.506 176.199 174.700 -0.012 0.000 1.100 177 T CA -0.017 62.081 62.100 -0.003 0.000 1.038 177 T CB 0.078 68.946 68.868 -0.000 0.000 0.962 177 T HN 0.107 nan 8.240 nan 0.000 0.516 178 L N -0.717 120.491 121.223 -0.025 0.000 2.638 178 L HA 0.494 4.836 4.340 0.004 0.000 0.232 178 L C 0.825 177.668 176.870 -0.045 0.000 1.099 178 L CA -0.271 54.550 54.840 -0.031 0.000 0.883 178 L CB 0.187 42.227 42.059 -0.033 0.000 1.136 178 L HN 0.004 nan 8.230 nan 0.000 0.492 179 R N -0.288 120.174 120.500 -0.064 0.000 2.739 179 R HA 0.379 4.722 4.340 0.004 0.000 0.271 179 R C -2.721 173.491 176.300 -0.146 0.000 1.010 179 R CA -1.932 54.108 56.100 -0.100 0.000 0.897 179 R CB 0.768 30.995 30.300 -0.122 0.000 1.236 179 R HN -0.384 nan 8.270 nan 0.000 0.466 180 P HA 0.184 nan 4.420 nan 0.000 0.252 180 P C -0.827 175.881 177.300 -0.986 0.000 1.727 180 P CA 0.007 62.904 63.100 -0.338 0.000 1.134 180 P CB 0.434 32.042 31.700 -0.153 0.000 1.876 181 V N 2.859 122.250 119.914 -0.871 0.000 3.087 181 V HA 0.489 4.611 4.120 0.004 0.000 0.306 181 V C -1.159 174.738 176.094 -0.328 0.000 1.187 181 V CA -1.195 60.601 62.300 -0.840 0.000 0.999 181 V CB 2.898 34.491 31.823 -0.383 0.000 1.049 181 V HN 0.161 nan 8.190 nan 0.000 0.431 182 R N 4.991 125.435 120.500 -0.094 0.000 2.229 182 R HA 0.671 5.013 4.340 0.004 0.000 0.332 182 R C -1.340 174.981 176.300 0.035 0.000 0.989 182 R CA -0.449 55.736 56.100 0.141 0.000 0.842 182 R CB 0.947 31.403 30.300 0.260 0.000 1.119 182 R HN 0.749 nan 8.270 nan 0.000 0.456 183 I N 5.831 126.417 120.570 0.027 0.000 2.433 183 I HA 0.286 4.459 4.170 0.004 0.000 0.292 183 I C -0.262 175.864 176.117 0.015 0.000 1.001 183 I CA -1.133 60.171 61.300 0.007 0.000 1.119 183 I CB 2.028 40.024 38.000 -0.007 0.000 1.289 183 I HN 0.388 nan 8.210 nan 0.000 0.438 184 V N 2.000 121.918 119.914 0.007 0.000 2.628 184 V HA 0.787 4.910 4.120 0.004 0.000 0.306 184 V C 0.010 176.100 176.094 -0.006 0.000 1.045 184 V CA -0.435 61.868 62.300 0.004 0.000 0.905 184 V CB 1.458 33.282 31.823 0.002 0.000 0.997 184 V HN 0.810 nan 8.190 nan 0.000 0.436 185 T N 0.602 115.157 114.554 0.001 0.000 2.918 185 T HA 0.753 5.106 4.350 0.004 0.000 0.286 185 T C -0.176 174.525 174.700 0.002 0.000 1.026 185 T CA -0.606 61.495 62.100 0.002 0.000 1.031 185 T CB 1.697 70.580 68.868 0.025 0.000 1.046 185 T HN 0.826 nan 8.240 nan 0.000 0.479 186 S N 1.092 116.787 115.700 -0.008 0.000 2.594 186 S HA 0.382 4.854 4.470 0.004 0.000 0.296 186 S C -1.545 173.083 174.600 0.047 0.000 1.124 186 S CA -0.733 57.468 58.200 0.000 0.000 1.011 186 S CB 0.696 63.852 63.200 -0.074 0.000 1.016 186 S HN 0.726 nan 8.310 nan 0.000 0.485 187 Y N 4.537 124.818 120.300 -0.031 0.000 2.531 187 Y HA 0.428 4.981 4.550 0.004 0.000 0.347 187 Y C -0.178 175.711 175.900 -0.017 0.000 1.024 187 Y CA -0.565 57.524 58.100 -0.018 0.000 1.306 187 Y CB 0.355 38.807 38.460 -0.013 0.000 1.149 187 Y HN 0.510 nan 8.280 nan 0.000 0.527 188 L N 7.125 128.103 121.223 -0.408 0.000 2.999 188 L HA 0.491 4.833 4.340 0.004 0.000 0.263 188 L C 1.018 177.656 176.870 -0.388 0.000 1.320 188 L CA 0.273 54.907 54.840 -0.343 0.000 0.913 188 L CB -0.428 41.482 42.059 -0.248 0.000 1.296 188 L HN 0.777 nan 8.230 nan 0.000 0.546 189 A N 0.926 123.302 122.820 -0.739 0.000 2.015 189 A HA 0.173 4.496 4.320 0.004 0.000 0.219 189 A C 1.647 179.202 177.584 -0.048 0.000 1.163 189 A CA 1.018 52.820 52.037 -0.393 0.000 0.646 189 A CB -0.319 18.365 19.000 -0.527 0.000 0.806 189 A HN 0.658 nan 8.150 nan 0.000 0.448 190 A N -0.958 121.761 122.820 -0.168 0.000 3.074 190 A HA 0.316 4.639 4.320 0.004 0.000 0.251 190 A C 0.957 178.649 177.584 0.180 0.000 1.695 190 A CA 0.336 52.233 52.037 -0.234 0.000 1.343 190 A CB -1.111 17.563 19.000 -0.543 0.000 1.078 190 A HN 0.763 nan 8.150 nan 0.000 0.644 191 H N -0.182 119.026 119.070 0.230 0.000 2.439 191 H HA 0.539 5.098 4.556 0.004 0.000 0.299 191 H C 0.637 176.187 175.328 0.370 0.000 1.033 191 H CA 0.778 56.952 56.048 0.209 0.000 1.348 191 H CB 0.377 30.111 29.762 -0.047 0.000 1.449 191 H HN 0.630 nan 8.280 nan 0.000 0.544 192 A N 0.145 123.165 122.820 0.334 0.000 2.566 192 A HA 0.373 4.695 4.320 0.004 0.000 0.290 192 A C -0.821 176.647 177.584 -0.194 0.000 1.071 192 A CA -0.284 51.740 52.037 -0.022 0.000 0.658 192 A CB 0.752 19.639 19.000 -0.188 0.000 1.285 192 A HN 0.277 nan 8.150 nan 0.000 0.427 193 T N 0.559 114.882 114.554 -0.385 0.000 2.875 193 T HA 0.767 5.120 4.350 0.004 0.000 0.284 193 T C -2.432 172.085 174.700 -0.304 0.000 0.995 193 T CA -1.623 60.135 62.100 -0.571 0.000 1.060 193 T CB 1.377 70.023 68.868 -0.370 0.000 0.967 193 T HN 0.520 nan 8.240 nan 0.000 0.476 194 P HA 0.303 nan 4.420 nan 0.000 0.277 194 P C 0.999 178.309 177.300 0.017 0.000 1.271 194 P CA -0.517 62.563 63.100 -0.034 0.000 0.795 194 P CB 0.549 32.292 31.700 0.072 0.000 1.101 195 A N 1.615 124.449 122.820 0.023 0.000 1.915 195 A HA -0.258 4.065 4.320 0.004 0.000 0.220 195 A C 1.481 179.069 177.584 0.007 0.000 1.198 195 A CA 2.675 54.718 52.037 0.010 0.000 0.647 195 A CB -1.835 17.170 19.000 0.009 0.000 0.825 195 A HN 0.680 nan 8.150 nan 0.000 0.456 196 D N -2.873 117.542 120.400 0.025 0.000 2.363 196 D HA -0.047 4.596 4.640 0.004 0.000 0.226 196 D C 0.685 176.858 176.300 -0.211 0.000 1.020 196 D CA 0.660 54.616 54.000 -0.075 0.000 0.892 196 D CB -0.415 40.331 40.800 -0.091 0.000 0.900 196 D HN 0.596 nan 8.370 nan 0.000 0.531 197 Y N -0.130 120.169 120.300 -0.002 0.000 2.557 197 Y HA 0.224 4.776 4.550 0.004 0.000 0.247 197 Y C 0.431 176.307 175.900 -0.040 0.000 1.164 197 Y CA -0.749 57.357 58.100 0.011 0.000 1.218 197 Y CB 0.536 39.028 38.460 0.054 0.000 1.210 197 Y HN -0.300 nan 8.280 nan 0.000 0.529 198 K N 0.586 121.007 120.400 0.035 0.000 2.451 198 K HA 0.179 4.501 4.320 0.004 0.000 0.280 198 K C 1.225 177.820 176.600 -0.009 0.000 1.020 198 K CA 1.011 57.287 56.287 -0.018 0.000 1.008 198 K CB 0.438 32.916 32.500 -0.036 0.000 0.917 198 K HN 0.538 nan 8.250 nan 0.000 0.478 199 G N 3.197 111.983 108.800 -0.023 0.000 2.179 199 G HA2 -0.333 3.630 3.960 0.004 0.000 0.260 199 G HA3 -0.333 3.630 3.960 0.004 0.000 0.260 199 G C 0.285 175.203 174.900 0.029 0.000 0.977 199 G CA 0.188 45.281 45.100 -0.012 0.000 0.641 199 G HN 0.569 nan 8.290 nan 0.000 0.533 200 R N 0.221 120.771 120.500 0.084 0.000 2.886 200 R HA 0.299 4.642 4.340 0.004 0.000 0.306 200 R C 1.059 177.514 176.300 0.258 0.000 1.300 200 R CA -0.463 55.737 56.100 0.168 0.000 1.441 200 R CB 0.020 30.446 30.300 0.210 0.000 1.328 200 R HN 0.131 nan 8.270 nan 0.000 0.629 201 N N 1.682 120.491 118.700 0.181 0.000 2.104 201 N HA -0.196 4.547 4.740 0.004 0.000 0.190 201 N C 1.749 177.458 175.510 0.331 0.000 1.024 201 N CA 1.759 54.984 53.050 0.292 0.000 0.853 201 N CB -0.020 38.581 38.487 0.191 0.000 1.008 201 N HN 0.413 nan 8.380 nan 0.000 0.424 202 A N 0.943 123.889 122.820 0.211 0.000 1.877 202 A HA -0.147 4.175 4.320 0.004 0.000 0.216 202 A C 1.799 179.473 177.584 0.150 0.000 1.186 202 A CA 1.749 53.877 52.037 0.152 0.000 0.620 202 A CB -0.578 18.485 19.000 0.106 0.000 0.822 202 A HN 0.127 nan 8.150 nan 0.000 0.443 203 D N -1.934 118.593 120.400 0.211 0.000 2.178 203 D HA -0.124 4.518 4.640 0.004 0.000 0.202 203 D C 1.633 178.042 176.300 0.182 0.000 0.974 203 D CA 1.280 55.429 54.000 0.248 0.000 0.841 203 D CB -0.378 40.646 40.800 0.374 0.000 0.953 203 D HN 0.580 nan 8.370 nan 0.000 0.478 204 Y N 1.272 121.572 120.300 -0.001 0.000 2.145 204 Y HA -0.133 4.419 4.550 0.004 0.000 0.286 204 Y C 2.105 177.878 175.900 -0.212 0.000 1.145 204 Y CA 1.188 59.032 58.100 -0.427 0.000 1.148 204 Y CB -0.412 37.923 38.460 -0.208 0.000 0.981 204 Y HN -0.084 nan 8.280 nan 0.000 0.507 205 I N -0.767 119.714 120.570 -0.148 0.000 2.226 205 I HA -0.333 3.840 4.170 0.004 0.000 0.245 205 I C 2.177 178.175 176.117 -0.198 0.000 1.100 205 I CA 1.861 63.017 61.300 -0.241 0.000 1.374 205 I CB -0.640 37.294 38.000 -0.109 0.000 1.057 205 I HN 0.207 nan 8.210 nan 0.000 0.413 206 T N 0.010 114.506 114.554 -0.096 0.000 2.746 206 T HA -0.154 4.198 4.350 0.004 0.000 0.267 206 T C 1.410 176.066 174.700 -0.074 0.000 1.039 206 T CA 1.543 63.610 62.100 -0.054 0.000 1.142 206 T CB -0.196 68.679 68.868 0.012 0.000 0.866 206 T HN 0.310 nan 8.240 nan 0.000 0.444 207 D N -0.047 120.291 120.400 -0.103 0.000 2.240 207 D HA 0.105 4.747 4.640 0.004 0.000 0.206 207 D C 2.065 178.268 176.300 -0.162 0.000 0.963 207 D CA 0.491 54.444 54.000 -0.077 0.000 0.863 207 D CB 0.062 40.890 40.800 0.047 0.000 0.973 207 D HN 0.261 nan 8.370 nan 0.000 0.501 208 V N -0.040 119.649 119.914 -0.375 0.000 2.840 208 V HA -0.023 4.099 4.120 0.004 0.000 0.234 208 V C 2.448 178.357 176.094 -0.308 0.000 1.159 208 V CA 0.254 62.328 62.300 -0.377 0.000 1.194 208 V CB -0.030 31.425 31.823 -0.613 0.000 0.971 208 V HN -0.062 nan 8.190 nan 0.000 0.494 209 V N 0.824 120.441 119.914 -0.495 0.000 2.233 209 V HA -0.273 3.849 4.120 0.004 0.000 0.247 209 V C 2.372 178.452 176.094 -0.023 0.000 1.050 209 V CA 2.370 64.539 62.300 -0.219 0.000 1.010 209 V CB -0.654 30.968 31.823 -0.334 0.000 0.637 209 V HN 0.405 nan 8.190 nan 0.000 0.444 210 L N -0.388 120.775 121.223 -0.101 0.000 2.027 210 L HA -0.100 4.242 4.340 0.004 0.000 0.206 210 L C 0.114 176.942 176.870 -0.070 0.000 1.074 210 L CA 1.706 56.504 54.840 -0.069 0.000 0.745 210 L CB -1.939 40.078 42.059 -0.069 0.000 0.898 210 L HN 0.362 nan 8.230 nan 0.000 0.433 211 P HA -0.098 nan 4.420 nan 0.000 0.219 211 P C 1.578 178.845 177.300 -0.056 0.000 1.150 211 P CA 1.523 64.593 63.100 -0.051 0.000 0.814 211 P CB -0.128 31.550 31.700 -0.038 0.000 0.787 212 G N 0.080 108.860 108.800 -0.032 0.000 2.408 212 G HA2 -0.225 3.737 3.960 0.004 0.000 0.217 212 G HA3 -0.225 3.737 3.960 0.004 0.000 0.217 212 G C 1.420 176.148 174.900 -0.287 0.000 1.150 212 G CA 0.415 45.511 45.100 -0.007 0.000 0.776 212 G HN 0.212 nan 8.290 nan 0.000 0.542 213 L N 0.926 121.890 121.223 -0.431 0.000 2.046 213 L HA 0.050 4.393 4.340 0.004 0.000 0.208 213 L C 2.560 179.233 176.870 -0.328 0.000 1.077 213 L CA 2.567 56.982 54.840 -0.710 0.000 0.747 213 L CB -0.763 41.058 42.059 -0.397 0.000 0.896 213 L HN 0.395 nan 8.230 nan 0.000 0.432 214 E N -0.205 119.892 120.200 -0.172 0.000 2.058 214 E HA -0.301 4.051 4.350 0.004 0.000 0.194 214 E C 2.328 178.900 176.600 -0.046 0.000 0.997 214 E CA 1.871 58.231 56.400 -0.067 0.000 0.801 214 E CB -0.239 29.433 29.700 -0.045 0.000 0.746 214 E HN 0.503 nan 8.360 nan 0.000 0.450 215 K N -0.500 119.855 120.400 -0.076 0.000 2.097 215 K HA -0.066 4.256 4.320 0.004 0.000 0.205 215 K C 2.015 178.573 176.600 -0.070 0.000 1.050 215 K CA 0.999 57.253 56.287 -0.056 0.000 0.938 215 K CB -0.176 32.302 32.500 -0.037 0.000 0.718 215 K HN 0.211 nan 8.250 nan 0.000 0.442 216 A N 0.388 123.129 122.820 -0.131 0.000 1.877 216 A HA -0.220 4.103 4.320 0.004 0.000 0.216 216 A C 1.951 179.495 177.584 -0.067 0.000 1.186 216 A CA 1.920 53.882 52.037 -0.125 0.000 0.620 216 A CB -0.904 17.923 19.000 -0.288 0.000 0.822 216 A HN 0.546 nan 8.150 nan 0.000 0.443 217 H N 0.171 119.140 119.070 -0.169 0.000 2.321 217 H HA 0.036 4.595 4.556 0.004 0.000 0.300 217 H C 2.127 177.409 175.328 -0.076 0.000 1.087 217 H CA 1.879 57.858 56.048 -0.116 0.000 1.319 217 H CB -0.378 29.312 29.762 -0.119 0.000 1.379 217 H HN 0.366 nan 8.280 nan 0.000 0.501 218 A N 0.516 123.243 122.820 -0.154 0.000 1.978 218 A HA -0.159 4.163 4.320 0.004 0.000 0.220 218 A C 2.063 179.555 177.584 -0.153 0.000 1.170 218 A CA 1.855 53.783 52.037 -0.182 0.000 0.636 218 A CB -0.313 18.638 19.000 -0.081 0.000 0.810 218 A HN 0.688 nan 8.150 nan 0.000 0.448 219 E N -1.539 118.596 120.200 -0.108 0.000 2.479 219 E HA 0.264 4.616 4.350 0.004 0.000 0.193 219 E C 0.933 177.488 176.600 -0.075 0.000 1.049 219 E CA 0.178 56.533 56.400 -0.075 0.000 0.870 219 E CB -0.044 29.631 29.700 -0.042 0.000 0.944 219 E HN 0.701 nan 8.360 nan 0.000 0.492 220 G N 1.761 110.496 108.800 -0.107 0.000 2.249 220 G HA2 -0.284 3.679 3.960 0.004 0.000 0.273 220 G HA3 -0.284 3.679 3.960 0.004 0.000 0.273 220 G C 0.649 175.532 174.900 -0.027 0.000 1.036 220 G CA 0.300 45.354 45.100 -0.076 0.000 0.824 220 G HN 0.291 nan 8.290 nan 0.000 0.504 221 L N -0.936 120.277 121.223 -0.017 0.000 2.477 221 L HA 0.467 4.809 4.340 0.004 0.000 0.220 221 L C 1.624 178.511 176.870 0.029 0.000 1.106 221 L CA 0.863 55.709 54.840 0.009 0.000 0.851 221 L CB 0.135 42.203 42.059 0.016 0.000 0.994 221 L HN 0.510 nan 8.230 nan 0.000 0.462 222 A N -0.525 122.312 122.820 0.028 0.000 2.318 222 A HA 0.374 4.696 4.320 0.004 0.000 0.317 222 A C -0.161 177.447 177.584 0.041 0.000 1.159 222 A CA -0.566 51.500 52.037 0.047 0.000 0.799 222 A CB 0.715 19.740 19.000 0.042 0.000 1.194 222 A HN 0.016 nan 8.150 nan 0.000 0.479 223 D N 0.997 121.416 120.400 0.032 0.000 2.346 223 D HA 0.358 5.000 4.640 0.004 0.000 0.206 223 D C 0.683 176.987 176.300 0.006 0.000 1.001 223 D CA 1.560 55.572 54.000 0.019 0.000 0.871 223 D CB 0.729 41.535 40.800 0.011 0.000 0.943 223 D HN 0.746 nan 8.370 nan 0.000 0.518 224 A N -0.293 122.534 122.820 0.011 0.000 2.599 224 A HA 0.568 4.890 4.320 0.004 0.000 0.290 224 A C -1.543 176.058 177.584 0.028 0.000 1.101 224 A CA -0.555 51.476 52.037 -0.010 0.000 0.674 224 A CB 1.414 20.396 19.000 -0.030 0.000 1.277 224 A HN -0.120 nan 8.150 nan 0.000 0.419 225 V N 1.583 121.499 119.914 0.003 0.000 2.540 225 V HA 0.540 4.662 4.120 0.004 0.000 0.302 225 V C -0.732 175.410 176.094 0.079 0.000 1.035 225 V CA -0.382 61.972 62.300 0.090 0.000 0.873 225 V CB 1.640 33.516 31.823 0.088 0.000 0.992 225 V HN 0.963 nan 8.190 nan 0.000 0.428 226 D N 1.921 122.396 120.400 0.125 0.000 2.525 226 D HA 0.871 5.513 4.640 0.004 0.000 0.249 226 D C -0.047 176.380 176.300 0.211 0.000 1.072 226 D CA 0.058 54.158 54.000 0.167 0.000 1.067 226 D CB 2.546 43.388 40.800 0.070 0.000 1.282 226 D HN 0.808 nan 8.370 nan 0.000 0.587 227 G N -0.639 108.313 108.800 0.253 0.000 2.523 227 G HA2 0.421 4.384 3.960 0.004 0.000 0.291 227 G HA3 0.421 4.384 3.960 0.004 0.000 0.291 227 G C -2.144 172.945 174.900 0.316 0.000 1.450 227 G CA -0.612 44.589 45.100 0.169 0.000 0.790 227 G HN 0.195 nan 8.290 nan 0.000 0.496 228 F N 1.495 121.519 119.950 0.124 0.000 2.434 228 F HA 0.576 5.106 4.527 0.004 0.000 0.355 228 F C -0.252 175.676 175.800 0.212 0.000 1.115 228 F CA -2.061 56.043 58.000 0.173 0.000 1.010 228 F CB 1.074 40.166 39.000 0.153 0.000 1.234 228 F HN 0.533 nan 8.300 nan 0.000 0.439 229 C N 6.565 125.981 119.300 0.193 0.000 2.225 229 C HA 0.775 5.237 4.460 0.004 0.000 0.328 229 C C -0.428 174.433 174.990 -0.216 0.000 1.187 229 C CA 0.194 59.200 59.018 -0.020 0.000 1.665 229 C CB -1.276 26.495 27.740 0.052 0.000 2.253 229 C HN 0.943 nan 8.230 nan 0.000 0.497 230 E N 2.299 122.247 120.200 -0.420 0.000 2.422 230 E HA 0.447 4.799 4.350 0.004 0.000 0.280 230 E C 0.716 177.098 176.600 -0.363 0.000 1.091 230 E CA 0.155 56.288 56.400 -0.445 0.000 0.849 230 E CB 0.695 29.910 29.700 -0.807 0.000 1.353 230 E HN 0.494 nan 8.360 nan 0.000 0.449 231 G N 1.051 109.689 108.800 -0.271 0.000 2.440 231 G HA2 -0.191 3.772 3.960 0.004 0.000 0.218 231 G HA3 -0.191 3.772 3.960 0.004 0.000 0.218 231 G C 1.327 176.078 174.900 -0.249 0.000 1.154 231 G CA 1.255 46.224 45.100 -0.218 0.000 0.767 231 G HN 0.600 nan 8.290 nan 0.000 0.552 232 I N -1.946 118.455 120.570 -0.281 0.000 3.564 232 I HA 0.571 4.743 4.170 0.004 0.000 0.294 232 I C 1.278 177.187 176.117 -0.346 0.000 1.289 232 I CA 0.382 61.528 61.300 -0.257 0.000 1.325 232 I CB -0.020 37.874 38.000 -0.176 0.000 1.039 232 I HN 0.209 nan 8.210 nan 0.000 0.474 233 A N 0.794 123.323 122.820 -0.486 0.000 3.141 233 A HA 0.680 5.002 4.320 0.004 0.000 0.187 233 A C -0.671 176.499 177.584 -0.690 0.000 1.089 233 A CA -0.392 51.267 52.037 -0.629 0.000 1.284 233 A CB -0.072 18.501 19.000 -0.712 0.000 1.762 233 A HN 0.162 nan 8.150 nan 0.000 0.626 234 F N 1.248 121.065 119.950 -0.221 0.000 2.425 234 F HA 0.527 5.057 4.527 0.004 0.000 0.331 234 F C 1.199 176.908 175.800 -0.151 0.000 1.085 234 F CA 0.001 57.919 58.000 -0.136 0.000 1.028 234 F CB 1.725 40.675 39.000 -0.082 0.000 1.177 234 F HN 0.495 nan 8.300 nan 0.000 0.487 235 S N 0.566 116.305 115.700 0.066 0.000 2.655 235 S HA 0.280 4.752 4.470 0.004 0.000 0.265 235 S C 0.910 175.510 174.600 -0.001 0.000 1.240 235 S CA -0.785 57.416 58.200 0.001 0.000 0.986 235 S CB 1.170 64.369 63.200 -0.002 0.000 0.985 235 S HN 0.414 nan 8.310 nan 0.000 0.562 236 V N 1.235 121.140 119.914 -0.015 0.000 2.332 236 V HA -0.151 3.972 4.120 0.004 0.000 0.248 236 V C 2.744 178.821 176.094 -0.027 0.000 1.055 236 V CA 2.442 64.729 62.300 -0.021 0.000 1.038 236 V CB -1.081 30.746 31.823 0.007 0.000 0.651 236 V HN 0.975 nan 8.190 nan 0.000 0.450 237 K N 0.448 120.845 120.400 -0.004 0.000 2.057 237 K HA -0.194 4.129 4.320 0.004 0.000 0.207 237 K C 2.013 178.606 176.600 -0.012 0.000 1.049 237 K CA 1.742 58.031 56.287 0.004 0.000 0.931 237 K CB -0.246 32.263 32.500 0.015 0.000 0.714 237 K HN 0.628 nan 8.250 nan 0.000 0.440 238 E N -0.113 120.086 120.200 -0.003 0.000 2.047 238 E HA -0.129 4.223 4.350 0.004 0.000 0.191 238 E C 1.909 178.433 176.600 -0.128 0.000 0.987 238 E CA 1.017 57.415 56.400 -0.004 0.000 0.799 238 E CB -0.096 29.683 29.700 0.132 0.000 0.752 238 E HN 0.200 nan 8.360 nan 0.000 0.449 239 I N 1.833 122.287 120.570 -0.193 0.000 2.286 239 I HA -0.230 3.943 4.170 0.004 0.000 0.248 239 I C 2.208 178.001 176.117 -0.539 0.000 1.115 239 I CA 1.467 62.497 61.300 -0.451 0.000 1.392 239 I CB -1.020 36.658 38.000 -0.537 0.000 1.065 239 I HN 0.123 nan 8.210 nan 0.000 0.418 240 D N 0.854 121.080 120.400 -0.291 0.000 2.158 240 D HA -0.254 4.389 4.640 0.004 0.000 0.197 240 D C 2.387 178.642 176.300 -0.074 0.000 0.995 240 D CA 1.290 55.220 54.000 -0.116 0.000 0.846 240 D CB -0.035 40.802 40.800 0.061 0.000 0.941 240 D HN 0.138 nan 8.370 nan 0.000 0.456 241 R N -0.471 119.979 120.500 -0.083 0.000 2.096 241 R HA -0.086 4.256 4.340 0.004 0.000 0.235 241 R C 2.095 178.355 176.300 -0.067 0.000 1.127 241 R CA 1.205 57.278 56.100 -0.046 0.000 0.968 241 R CB -0.095 30.177 30.300 -0.045 0.000 0.861 241 R HN 0.146 nan 8.270 nan 0.000 0.440 242 V N 0.419 120.253 119.914 -0.134 0.000 2.379 242 V HA -0.187 3.935 4.120 0.004 0.000 0.245 242 V C 2.052 178.173 176.094 0.046 0.000 1.044 242 V CA 1.334 63.587 62.300 -0.078 0.000 1.036 242 V CB -0.558 31.181 31.823 -0.141 0.000 0.664 242 V HN 0.216 nan 8.190 nan 0.000 0.453 243 F N 1.075 120.833 119.950 -0.319 0.000 2.186 243 F HA -0.043 4.487 4.527 0.004 0.000 0.299 243 F C 2.492 178.024 175.800 -0.448 0.000 1.090 243 F CA 0.804 58.459 58.000 -0.575 0.000 1.307 243 F CB -1.461 36.800 39.000 -1.231 0.000 1.019 243 F HN 0.146 nan 8.300 nan 0.000 0.489 244 A N 0.010 122.813 122.820 -0.029 0.000 1.933 244 A HA -0.046 4.276 4.320 0.004 0.000 0.218 244 A C 2.480 180.104 177.584 0.068 0.000 1.175 244 A CA 1.812 53.943 52.037 0.157 0.000 0.628 244 A CB -1.106 17.996 19.000 0.170 0.000 0.814 244 A HN 0.270 nan 8.150 nan 0.000 0.444 245 A N -0.275 122.553 122.820 0.014 0.000 1.930 245 A HA 0.239 4.561 4.320 0.004 0.000 0.217 245 A C 2.472 180.023 177.584 -0.054 0.000 1.175 245 A CA 1.816 53.840 52.037 -0.020 0.000 0.627 245 A CB -0.892 18.088 19.000 -0.032 0.000 0.815 245 A HN 0.971 nan 8.150 nan 0.000 0.443 246 A N -0.620 122.171 122.820 -0.049 0.000 1.877 246 A HA -0.235 4.088 4.320 0.004 0.000 0.216 246 A C 2.218 179.747 177.584 -0.092 0.000 1.186 246 A CA 1.808 53.789 52.037 -0.094 0.000 0.620 246 A CB -0.692 18.245 19.000 -0.106 0.000 0.822 246 A HN 0.639 nan 8.150 nan 0.000 0.443 247 Q N -1.025 118.761 119.800 -0.023 0.000 2.077 247 Q HA -0.268 4.074 4.340 0.004 0.000 0.206 247 Q C 2.048 178.042 176.000 -0.011 0.000 0.989 247 Q CA 1.833 57.654 55.803 0.029 0.000 0.853 247 Q CB -0.197 28.640 28.738 0.165 0.000 0.907 247 Q HN 0.619 nan 8.270 nan 0.000 0.418 248 Q N 0.002 119.793 119.800 -0.015 0.000 2.291 248 Q HA -0.115 4.227 4.340 0.004 0.000 0.206 248 Q C 1.186 177.133 176.000 -0.088 0.000 0.976 248 Q CA 1.189 56.972 55.803 -0.033 0.000 0.875 248 Q CB 0.015 28.741 28.738 -0.021 0.000 0.927 248 Q HN 0.403 nan 8.270 nan 0.000 0.450 249 R N -0.894 119.502 120.500 -0.174 0.000 2.468 249 R HA 0.208 4.550 4.340 0.004 0.000 0.280 249 R C 0.787 176.897 176.300 -0.317 0.000 0.963 249 R CA 0.416 56.301 56.100 -0.359 0.000 1.083 249 R CB 0.533 30.427 30.300 -0.677 0.000 1.200 249 R HN 0.252 nan 8.270 nan 0.000 0.541 250 G N 1.530 110.244 108.800 -0.144 0.000 2.168 250 G HA2 -0.288 3.675 3.960 0.004 0.000 0.257 250 G HA3 -0.288 3.675 3.960 0.004 0.000 0.257 250 G C 0.014 174.870 174.900 -0.073 0.000 0.997 250 G CA 0.079 45.135 45.100 -0.073 0.000 0.708 250 G HN 0.207 nan 8.290 nan 0.000 0.520 251 L N 1.790 122.942 121.223 -0.118 0.000 2.289 251 L HA 0.460 4.802 4.340 0.004 0.000 0.285 251 L C -1.249 175.565 176.870 -0.093 0.000 1.049 251 L CA -2.245 52.540 54.840 -0.092 0.000 0.804 251 L CB 1.453 43.443 42.059 -0.114 0.000 1.195 251 L HN -0.026 nan 8.230 nan 0.000 0.428 252 P HA 0.182 nan 4.420 nan 0.000 0.274 252 P C -0.871 176.326 177.300 -0.171 0.000 1.246 252 P CA -0.230 62.809 63.100 -0.102 0.000 0.795 252 P CB 1.511 33.172 31.700 -0.065 0.000 1.006 253 V N -1.908 117.846 119.914 -0.266 0.000 3.126 253 V HA 0.879 5.002 4.120 0.004 0.000 0.314 253 V C -0.484 175.430 176.094 -0.300 0.000 1.138 253 V CA -0.984 61.048 62.300 -0.447 0.000 1.034 253 V CB 1.941 33.064 31.823 -1.167 0.000 1.075 253 V HN 0.841 nan 8.190 nan 0.000 0.442 254 K N 1.437 121.712 120.400 -0.207 0.000 2.548 254 K HA 0.875 5.197 4.320 0.004 0.000 0.282 254 K C -2.109 174.613 176.600 0.205 0.000 1.006 254 K CA -0.937 55.344 56.287 -0.009 0.000 0.892 254 K CB 2.357 34.854 32.500 -0.005 0.000 1.499 254 K HN 0.813 nan 8.250 nan 0.000 0.433 255 L N 0.767 122.141 121.223 0.251 0.000 2.505 255 L HA 0.395 4.737 4.340 0.004 0.000 0.259 255 L C -1.876 175.206 176.870 0.354 0.000 0.952 255 L CA -0.272 54.799 54.840 0.386 0.000 0.840 255 L CB 2.132 44.456 42.059 0.442 0.000 1.358 255 L HN 0.782 nan 8.230 nan 0.000 0.409 256 H N 3.390 122.666 119.070 0.343 0.000 2.782 256 H HA 0.763 5.321 4.556 0.004 0.000 0.285 256 H C -0.278 175.331 175.328 0.467 0.000 1.093 256 H CA 0.619 56.934 56.048 0.445 0.000 1.410 256 H CB 0.906 30.929 29.762 0.434 0.000 1.439 256 H HN 0.743 nan 8.280 nan 0.000 0.469 257 A N 2.191 125.283 122.820 0.453 0.000 2.454 257 A HA 0.580 4.902 4.320 0.004 0.000 0.302 257 A C -0.013 177.750 177.584 0.298 0.000 1.079 257 A CA -0.932 51.307 52.037 0.337 0.000 0.731 257 A CB 0.832 19.978 19.000 0.244 0.000 1.299 257 A HN 0.663 nan 8.150 nan 0.000 0.413 258 E N -0.402 119.939 120.200 0.235 0.000 2.539 258 E HA -0.264 4.089 4.350 0.004 0.000 0.253 258 E C 0.866 177.655 176.600 0.316 0.000 1.145 258 E CA 1.402 57.941 56.400 0.232 0.000 0.738 258 E CB -1.580 28.249 29.700 0.214 0.000 1.308 258 E HN 0.748 nan 8.360 nan 0.000 0.409 259 Q N -0.344 119.635 119.800 0.298 0.000 2.083 259 Q HA -0.021 4.321 4.340 0.004 0.000 0.198 259 Q C 1.558 177.737 176.000 0.299 0.000 0.969 259 Q CA 1.376 57.341 55.803 0.270 0.000 0.838 259 Q CB 0.172 28.949 28.738 0.064 0.000 0.900 259 Q HN 0.585 nan 8.270 nan 0.000 0.436 260 L N -0.357 120.926 121.223 0.100 0.000 2.701 260 L HA 0.321 4.663 4.340 0.004 0.000 0.238 260 L C 0.376 176.796 176.870 -0.751 0.000 1.106 260 L CA -0.070 54.679 54.840 -0.151 0.000 0.898 260 L CB 1.096 43.102 42.059 -0.089 0.000 1.188 260 L HN 0.108 nan 8.230 nan 0.000 0.508 261 S N -1.604 113.761 115.700 -0.559 0.000 2.615 261 S HA 0.296 4.768 4.470 0.004 0.000 0.268 261 S C -1.327 173.185 174.600 -0.145 0.000 1.146 261 S CA -0.902 56.953 58.200 -0.576 0.000 0.818 261 S CB 1.748 64.736 63.200 -0.353 0.000 1.111 261 S HN 0.020 nan 8.310 nan 0.000 0.465 262 N N 0.646 119.316 118.700 -0.050 0.000 2.527 262 N HA 0.471 5.214 4.740 0.004 0.000 0.236 262 N C -0.077 175.439 175.510 0.010 0.000 0.999 262 N CA -0.645 52.435 53.050 0.050 0.000 0.935 262 N CB 0.033 38.579 38.487 0.099 0.000 1.132 262 N HN 0.670 nan 8.380 nan 0.000 0.511 263 L N 1.931 123.162 121.223 0.012 0.000 2.638 263 L HA 0.378 4.720 4.340 0.004 0.000 0.232 263 L C 1.139 178.022 176.870 0.022 0.000 1.099 263 L CA 0.215 55.055 54.840 -0.001 0.000 0.883 263 L CB 0.240 42.284 42.059 -0.025 0.000 1.136 263 L HN 0.781 nan 8.230 nan 0.000 0.492 264 G N -0.222 108.605 108.800 0.045 0.000 2.134 264 G HA2 -0.223 3.739 3.960 0.004 0.000 0.209 264 G HA3 -0.223 3.739 3.960 0.004 0.000 0.209 264 G C 0.865 175.809 174.900 0.073 0.000 0.993 264 G CA 0.100 45.233 45.100 0.056 0.000 0.669 264 G HN 0.394 nan 8.290 nan 0.000 0.519 265 G N 0.592 109.442 108.800 0.083 0.000 2.418 265 G HA2 0.212 4.174 3.960 0.004 0.000 0.217 265 G HA3 0.212 4.174 3.960 0.004 0.000 0.217 265 G C 2.018 177.005 174.900 0.145 0.000 1.158 265 G CA 2.479 47.644 45.100 0.108 0.000 0.771 265 G HN 1.577 nan 8.290 nan 0.000 0.545 266 A N 1.275 124.176 122.820 0.135 0.000 1.883 266 A HA -0.100 4.222 4.320 0.004 0.000 0.217 266 A C 2.188 179.847 177.584 0.126 0.000 1.186 266 A CA 1.995 54.111 52.037 0.131 0.000 0.624 266 A CB -0.442 18.620 19.000 0.104 0.000 0.822 266 A HN 0.483 nan 8.150 nan 0.000 0.444 267 E N -0.642 119.622 120.200 0.107 0.000 2.110 267 E HA -0.197 4.155 4.350 0.004 0.000 0.193 267 E C 1.982 178.660 176.600 0.129 0.000 0.988 267 E CA 1.289 57.747 56.400 0.096 0.000 0.804 267 E CB -0.366 29.378 29.700 0.073 0.000 0.745 267 E HN 0.566 nan 8.360 nan 0.000 0.458 268 L N 1.267 122.587 121.223 0.161 0.000 2.056 268 L HA -0.063 4.280 4.340 0.004 0.000 0.207 268 L C 2.332 179.423 176.870 0.370 0.000 1.078 268 L CA 1.951 56.935 54.840 0.239 0.000 0.749 268 L CB -0.582 41.597 42.059 0.199 0.000 0.901 268 L HN 0.023 nan 8.230 nan 0.000 0.433 269 A N -0.101 122.924 122.820 0.342 0.000 1.883 269 A HA -0.161 4.161 4.320 0.004 0.000 0.217 269 A C 2.480 180.207 177.584 0.237 0.000 1.186 269 A CA 2.061 54.317 52.037 0.365 0.000 0.624 269 A CB -1.330 17.837 19.000 0.279 0.000 0.822 269 A HN 0.619 nan 8.150 nan 0.000 0.444 270 A N 0.291 123.212 122.820 0.167 0.000 1.933 270 A HA -0.109 4.213 4.320 0.004 0.000 0.218 270 A C 2.471 180.107 177.584 0.086 0.000 1.175 270 A CA 2.367 54.467 52.037 0.104 0.000 0.628 270 A CB -0.990 18.055 19.000 0.076 0.000 0.814 270 A HN 1.095 nan 8.150 nan 0.000 0.444 271 S N -2.099 113.662 115.700 0.101 0.000 2.447 271 S HA -0.106 4.367 4.470 0.004 0.000 0.233 271 S C 1.258 175.803 174.600 -0.091 0.000 1.006 271 S CA 1.028 59.228 58.200 -0.001 0.000 0.957 271 S CB -0.599 62.588 63.200 -0.022 0.000 0.773 271 S HN 0.548 nan 8.310 nan 0.000 0.507 272 Y N 2.512 122.845 120.300 0.056 0.000 2.625 272 Y HA 0.353 4.905 4.550 0.004 0.000 0.285 272 Y C 0.370 176.238 175.900 -0.053 0.000 1.168 272 Y CA -0.815 57.287 58.100 0.003 0.000 1.250 272 Y CB -0.455 38.000 38.460 -0.009 0.000 1.130 272 Y HN 0.208 nan 8.280 nan 0.000 0.526 273 N N -0.362 118.379 118.700 0.068 0.000 2.727 273 N HA -0.208 4.534 4.740 0.004 0.000 0.249 273 N C 0.182 175.699 175.510 0.012 0.000 1.048 273 N CA 0.717 53.784 53.050 0.028 0.000 0.714 273 N CB -1.239 37.254 38.487 0.009 0.000 0.959 273 N HN 0.353 nan 8.380 nan 0.000 0.544 274 A N 0.183 123.015 122.820 0.019 0.000 2.561 274 A HA 0.151 4.474 4.320 0.004 0.000 0.234 274 A C 1.724 179.298 177.584 -0.017 0.000 1.055 274 A CA 0.070 52.088 52.037 -0.031 0.000 0.756 274 A CB 0.220 19.227 19.000 0.011 0.000 0.986 274 A HN 0.377 nan 8.150 nan 0.000 0.505 275 L N 1.503 122.704 121.223 -0.037 0.000 2.093 275 L HA -0.039 4.304 4.340 0.004 0.000 0.208 275 L C 1.214 178.082 176.870 -0.003 0.000 1.085 275 L CA 1.609 56.437 54.840 -0.020 0.000 0.755 275 L CB -0.435 41.607 42.059 -0.029 0.000 0.904 275 L HN 0.951 nan 8.230 nan 0.000 0.435 276 S N -2.007 113.696 115.700 0.004 0.000 2.567 276 S HA 0.741 5.214 4.470 0.004 0.000 0.270 276 S C -1.067 173.562 174.600 0.048 0.000 1.152 276 S CA -0.518 57.694 58.200 0.021 0.000 0.835 276 S CB 2.079 65.287 63.200 0.013 0.000 1.115 276 S HN 0.049 nan 8.310 nan 0.000 0.459 277 A N 1.304 124.157 122.820 0.054 0.000 2.343 277 A HA 0.798 5.121 4.320 0.004 0.000 0.308 277 A C -1.553 176.058 177.584 0.045 0.000 1.092 277 A CA -0.627 51.462 52.037 0.088 0.000 0.751 277 A CB 0.863 19.923 19.000 0.101 0.000 1.203 277 A HN 0.774 nan 8.150 nan 0.000 0.452 278 D N 0.799 121.220 120.400 0.035 0.000 2.342 278 D HA 0.704 5.347 4.640 0.004 0.000 0.243 278 D C 0.566 176.847 176.300 -0.031 0.000 1.019 278 D CA 0.132 54.066 54.000 -0.109 0.000 0.864 278 D CB 0.925 41.565 40.800 -0.267 0.000 1.315 278 D HN 0.591 nan 8.370 nan 0.000 0.468 279 H N 0.859 119.913 119.070 -0.027 0.000 4.692 279 H HA -0.209 4.349 4.556 0.004 0.000 0.063 279 H C 0.853 176.203 175.328 0.037 0.000 0.623 279 H CA 0.926 56.998 56.048 0.040 0.000 0.906 279 H CB -1.001 28.836 29.762 0.125 0.000 0.412 279 H HN 0.463 nan 8.280 nan 0.000 0.813 280 L N 0.759 122.120 121.223 0.230 0.000 4.367 280 L HA -0.289 4.053 4.340 0.004 0.000 0.424 280 L C 1.398 178.312 176.870 0.073 0.000 1.152 280 L CA 1.162 56.079 54.840 0.129 0.000 0.974 280 L CB -1.311 40.773 42.059 0.042 0.000 2.012 280 L HN 0.377 nan 8.230 nan 0.000 0.922 281 E N -0.165 120.108 120.200 0.121 0.000 2.114 281 E HA -0.180 4.172 4.350 0.004 0.000 0.199 281 E C 1.298 177.790 176.600 -0.181 0.000 1.008 281 E CA 2.134 58.525 56.400 -0.015 0.000 0.810 281 E CB -0.156 29.602 29.700 0.095 0.000 0.739 281 E HN 0.716 nan 8.360 nan 0.000 0.456 282 Y N -0.588 119.746 120.300 0.056 0.000 2.532 282 Y HA 0.212 4.765 4.550 0.004 0.000 0.283 282 Y C 0.148 176.067 175.900 0.031 0.000 1.181 282 Y CA -0.852 57.273 58.100 0.041 0.000 1.256 282 Y CB 0.254 38.740 38.460 0.043 0.000 1.112 282 Y HN -0.018 nan 8.280 nan 0.000 0.521 283 L N 2.545 123.828 121.223 0.100 0.000 2.455 283 L HA 0.117 4.459 4.340 0.004 0.000 0.272 283 L C 0.101 176.995 176.870 0.040 0.000 1.174 283 L CA -0.295 54.588 54.840 0.072 0.000 0.869 283 L CB 0.094 42.177 42.059 0.041 0.000 1.130 283 L HN 0.248 nan 8.230 nan 0.000 0.474 284 D N 1.876 122.305 120.400 0.048 0.000 2.478 284 D HA 0.108 4.751 4.640 0.004 0.000 0.263 284 D C 0.687 176.998 176.300 0.019 0.000 1.153 284 D CA -0.316 53.703 54.000 0.032 0.000 1.038 284 D CB 0.324 41.148 40.800 0.041 0.000 1.120 284 D HN 0.661 nan 8.370 nan 0.000 0.564 285 E N -0.750 119.458 120.200 0.012 0.000 2.085 285 E HA -0.219 4.134 4.350 0.004 0.000 0.194 285 E C 1.399 178.006 176.600 0.012 0.000 0.994 285 E CA 1.584 57.989 56.400 0.007 0.000 0.801 285 E CB -0.108 29.595 29.700 0.005 0.000 0.743 285 E HN 0.551 nan 8.360 nan 0.000 0.453 286 T N -0.234 114.331 114.554 0.018 0.000 2.746 286 T HA -0.118 4.234 4.350 0.004 0.000 0.267 286 T C 1.671 176.386 174.700 0.026 0.000 1.039 286 T CA 1.184 63.296 62.100 0.020 0.000 1.142 286 T CB -0.561 68.321 68.868 0.023 0.000 0.866 286 T HN 0.421 nan 8.240 nan 0.000 0.444 287 G N 1.098 109.917 108.800 0.032 0.000 2.418 287 G HA2 -0.045 3.917 3.960 0.004 0.000 0.217 287 G HA3 -0.045 3.917 3.960 0.004 0.000 0.217 287 G C 1.853 176.772 174.900 0.032 0.000 1.158 287 G CA 0.888 46.012 45.100 0.040 0.000 0.771 287 G HN 0.573 nan 8.290 nan 0.000 0.545 288 A N 0.925 123.757 122.820 0.020 0.000 1.908 288 A HA -0.057 4.266 4.320 0.004 0.000 0.218 288 A C 2.311 179.902 177.584 0.011 0.000 1.181 288 A CA 2.056 54.100 52.037 0.011 0.000 0.627 288 A CB -0.371 18.628 19.000 -0.002 0.000 0.818 288 A HN 0.399 nan 8.150 nan 0.000 0.445 289 K N -0.405 120.002 120.400 0.012 0.000 2.097 289 K HA 0.005 4.328 4.320 0.004 0.000 0.205 289 K C 2.280 178.889 176.600 0.016 0.000 1.050 289 K CA 0.982 57.276 56.287 0.011 0.000 0.938 289 K CB -0.294 32.212 32.500 0.010 0.000 0.718 289 K HN 0.445 nan 8.250 nan 0.000 0.442 290 A N 1.480 124.313 122.820 0.022 0.000 1.902 290 A HA -0.116 4.206 4.320 0.004 0.000 0.217 290 A C 2.109 179.712 177.584 0.030 0.000 1.181 290 A CA 1.168 53.222 52.037 0.028 0.000 0.623 290 A CB -0.570 18.453 19.000 0.038 0.000 0.818 290 A HN 0.135 nan 8.150 nan 0.000 0.443 291 L N -0.869 120.373 121.223 0.032 0.000 2.027 291 L HA -0.186 4.156 4.340 0.004 0.000 0.206 291 L C 3.134 180.016 176.870 0.020 0.000 1.074 291 L CA 1.130 55.989 54.840 0.032 0.000 0.745 291 L CB -0.617 41.460 42.059 0.031 0.000 0.898 291 L HN 0.439 nan 8.230 nan 0.000 0.433 292 A N 0.136 122.964 122.820 0.014 0.000 1.902 292 A HA -0.261 4.061 4.320 0.004 0.000 0.217 292 A C 2.392 179.982 177.584 0.009 0.000 1.181 292 A CA 2.010 54.053 52.037 0.009 0.000 0.623 292 A CB -0.474 18.529 19.000 0.005 0.000 0.818 292 A HN 0.344 nan 8.150 nan 0.000 0.443 293 K N -0.343 120.063 120.400 0.010 0.000 2.097 293 K HA -0.067 4.255 4.320 0.004 0.000 0.206 293 K C 1.929 178.534 176.600 0.009 0.000 1.049 293 K CA 1.267 57.559 56.287 0.008 0.000 0.933 293 K CB -0.280 32.225 32.500 0.009 0.000 0.717 293 K HN 0.369 nan 8.250 nan 0.000 0.442 294 A N -0.062 122.766 122.820 0.014 0.000 2.123 294 A HA 0.170 4.492 4.320 0.004 0.000 0.214 294 A C 1.454 179.045 177.584 0.012 0.000 1.152 294 A CA 1.006 53.052 52.037 0.014 0.000 0.728 294 A CB -0.316 18.699 19.000 0.025 0.000 0.814 294 A HN 0.578 nan 8.150 nan 0.000 0.464 295 G N -1.400 107.406 108.800 0.011 0.000 2.132 295 G HA2 -0.206 3.757 3.960 0.004 0.000 0.234 295 G HA3 -0.206 3.757 3.960 0.004 0.000 0.234 295 G C 0.286 175.192 174.900 0.010 0.000 0.989 295 G CA 0.358 45.463 45.100 0.008 0.000 0.676 295 G HN 0.597 nan 8.290 nan 0.000 0.522 296 T N 1.098 115.662 114.554 0.017 0.000 2.814 296 T HA 0.460 4.813 4.350 0.004 0.000 0.297 296 T C 0.850 175.560 174.700 0.016 0.000 0.956 296 T CA -0.191 61.921 62.100 0.020 0.000 1.123 296 T CB 2.081 70.970 68.868 0.036 0.000 0.902 296 T HN 0.379 nan 8.240 nan 0.000 0.528 297 V N 3.034 122.954 119.914 0.012 0.000 2.614 297 V HA 0.417 4.540 4.120 0.004 0.000 0.291 297 V C 0.684 176.782 176.094 0.007 0.000 1.049 297 V CA -0.743 61.561 62.300 0.007 0.000 1.038 297 V CB 0.877 32.703 31.823 0.004 0.000 0.980 297 V HN 1.046 nan 8.190 nan 0.000 0.481 298 A N 5.442 128.262 122.820 -0.001 0.000 2.279 298 A HA 0.606 4.928 4.320 0.004 0.000 0.306 298 A C -0.428 177.144 177.584 -0.021 0.000 1.300 298 A CA -0.355 51.677 52.037 -0.008 0.000 0.925 298 A CB 0.379 19.369 19.000 -0.017 0.000 1.152 298 A HN 0.650 nan 8.150 nan 0.000 0.544 299 V N 5.309 125.203 119.914 -0.033 0.000 2.333 299 V HA 0.253 4.376 4.120 0.004 0.000 0.274 299 V C 0.055 176.089 176.094 -0.099 0.000 1.028 299 V CA -0.105 62.158 62.300 -0.061 0.000 0.851 299 V CB 0.641 32.420 31.823 -0.073 0.000 1.000 299 V HN 0.746 nan 8.190 nan 0.000 0.456 300 L N 6.192 127.386 121.223 -0.047 0.000 2.325 300 L HA 0.595 4.937 4.340 0.004 0.000 0.279 300 L C -0.464 176.442 176.870 0.059 0.000 1.054 300 L CA -0.542 54.305 54.840 0.013 0.000 0.804 300 L CB 1.396 43.495 42.059 0.067 0.000 1.200 300 L HN 0.459 nan 8.230 nan 0.000 0.436 301 L N 4.653 125.946 121.223 0.117 0.000 2.433 301 L HA 0.293 4.636 4.340 0.004 0.000 0.256 301 L C -1.580 175.436 176.870 0.244 0.000 1.063 301 L CA -1.235 53.647 54.840 0.070 0.000 0.922 301 L CB 1.416 43.382 42.059 -0.156 0.000 1.238 301 L HN 0.400 nan 8.230 nan 0.000 0.466 302 P HA -0.135 nan 4.420 nan 0.000 0.222 302 P C 1.428 178.795 177.300 0.112 0.000 1.147 302 P CA 1.142 64.160 63.100 -0.137 0.000 0.790 302 P CB 0.478 31.836 31.700 -0.569 0.000 0.780 303 G N 0.958 109.828 108.800 0.116 0.000 2.421 303 G HA2 -0.225 3.737 3.960 0.004 0.000 0.216 303 G HA3 -0.225 3.737 3.960 0.004 0.000 0.216 303 G C 1.845 176.910 174.900 0.276 0.000 1.171 303 G CA 1.094 46.303 45.100 0.181 0.000 0.775 303 G HN 0.359 nan 8.290 nan 0.000 0.543 304 A N 0.176 123.155 122.820 0.266 0.000 1.930 304 A HA 0.113 4.436 4.320 0.004 0.000 0.217 304 A C 2.164 179.912 177.584 0.272 0.000 1.175 304 A CA 1.496 53.688 52.037 0.257 0.000 0.627 304 A CB -0.524 18.665 19.000 0.316 0.000 0.815 304 A HN 0.392 nan 8.150 nan 0.000 0.443 305 F N -0.629 119.456 119.950 0.226 0.000 2.069 305 F HA -0.226 4.303 4.527 0.004 0.000 0.298 305 F C 2.190 178.098 175.800 0.181 0.000 1.113 305 F CA 2.204 60.343 58.000 0.232 0.000 1.214 305 F CB -0.595 38.621 39.000 0.360 0.000 0.978 305 F HN 0.397 nan 8.300 nan 0.000 0.474 306 Y N 0.885 121.327 120.300 0.237 0.000 2.114 306 Y HA -0.155 4.397 4.550 0.004 0.000 0.284 306 Y C 2.317 178.231 175.900 0.024 0.000 1.143 306 Y CA 1.858 60.019 58.100 0.102 0.000 1.135 306 Y CB -1.111 37.413 38.460 0.106 0.000 0.980 306 Y HN 0.075 nan 8.280 nan 0.000 0.499 307 A N 0.378 123.170 122.820 -0.046 0.000 1.972 307 A HA -0.095 4.227 4.320 0.004 0.000 0.219 307 A C 2.095 179.597 177.584 -0.136 0.000 1.169 307 A CA 1.714 53.657 52.037 -0.157 0.000 0.635 307 A CB -1.046 17.997 19.000 0.072 0.000 0.810 307 A HN 0.569 nan 8.150 nan 0.000 0.446 308 L N -1.598 119.569 121.223 -0.093 0.000 2.591 308 L HA 0.091 4.434 4.340 0.004 0.000 0.228 308 L C 0.428 177.193 176.870 -0.174 0.000 1.133 308 L CA -0.261 54.518 54.840 -0.102 0.000 0.880 308 L CB -0.033 41.994 42.059 -0.053 0.000 1.033 308 L HN 0.272 nan 8.230 nan 0.000 0.450 309 R N 0.620 120.968 120.500 -0.253 0.000 3.525 309 R HA -0.185 4.157 4.340 0.004 0.000 0.276 309 R C 0.336 176.439 176.300 -0.328 0.000 1.116 309 R CA 0.466 56.401 56.100 -0.274 0.000 0.745 309 R CB -2.136 28.051 30.300 -0.188 0.000 1.185 309 R HN 0.403 nan 8.270 nan 0.000 0.454 310 E N 1.206 121.096 120.200 -0.516 0.000 2.415 310 E HA 0.025 4.378 4.350 0.004 0.000 0.262 310 E C 0.918 177.196 176.600 -0.535 0.000 1.038 310 E CA 0.283 56.384 56.400 -0.499 0.000 0.921 310 E CB 0.679 30.071 29.700 -0.514 0.000 0.950 310 E HN -0.038 nan 8.360 nan 0.000 0.438 311 K N 2.310 122.610 120.400 -0.166 0.000 2.365 311 K HA 0.026 4.349 4.320 0.004 0.000 0.195 311 K C 0.018 176.685 176.600 0.113 0.000 1.079 311 K CA 0.120 56.399 56.287 -0.013 0.000 0.979 311 K CB 0.245 32.747 32.500 0.003 0.000 0.929 311 K HN 0.460 nan 8.250 nan 0.000 0.523 312 Q N 1.947 121.789 119.800 0.070 0.000 2.323 312 Q HA 0.216 4.559 4.340 0.004 0.000 0.257 312 Q C -0.785 175.287 176.000 0.120 0.000 1.022 312 Q CA 0.106 55.877 55.803 -0.052 0.000 0.919 312 Q CB 0.174 28.596 28.738 -0.528 0.000 1.220 312 Q HN 0.069 nan 8.270 nan 0.000 0.427 313 L N 7.352 128.614 121.223 0.066 0.000 2.371 313 L HA 0.454 4.796 4.340 0.004 0.000 0.272 313 L C -1.767 174.943 176.870 -0.265 0.000 1.124 313 L CA -1.972 52.808 54.840 -0.101 0.000 0.816 313 L CB 0.768 42.759 42.059 -0.114 0.000 1.129 313 L HN 0.642 nan 8.230 nan 0.000 0.448 314 P HA 0.082 nan 4.420 nan 0.000 0.272 314 P C -2.495 174.624 177.300 -0.302 0.000 1.223 314 P CA -1.454 61.420 63.100 -0.376 0.000 0.784 314 P CB -0.109 31.277 31.700 -0.524 0.000 0.923 315 P HA 0.029 nan 4.420 nan 0.000 0.235 315 P C 1.135 178.358 177.300 -0.127 0.000 1.765 315 P CA -0.030 62.990 63.100 -0.133 0.000 1.034 315 P CB -0.299 31.351 31.700 -0.083 0.000 1.984 316 V N 1.619 121.438 119.914 -0.158 0.000 2.287 316 V HA -0.268 3.855 4.120 0.004 0.000 0.248 316 V C 2.802 178.853 176.094 -0.072 0.000 1.053 316 V CA 2.098 64.325 62.300 -0.121 0.000 1.027 316 V CB -1.077 30.676 31.823 -0.116 0.000 0.646 316 V HN 0.320 nan 8.190 nan 0.000 0.447 317 Q N 0.313 120.077 119.800 -0.060 0.000 2.119 317 Q HA -0.096 4.247 4.340 0.004 0.000 0.201 317 Q C 2.142 178.122 176.000 -0.034 0.000 0.972 317 Q CA 2.033 57.812 55.803 -0.039 0.000 0.847 317 Q CB -0.656 28.063 28.738 -0.032 0.000 0.903 317 Q HN 0.608 nan 8.270 nan 0.000 0.433 318 A N -0.047 122.750 122.820 -0.039 0.000 1.933 318 A HA -0.131 4.191 4.320 0.004 0.000 0.218 318 A C 2.084 179.652 177.584 -0.026 0.000 1.175 318 A CA 1.364 53.384 52.037 -0.029 0.000 0.628 318 A CB -0.711 18.271 19.000 -0.029 0.000 0.814 318 A HN 0.443 nan 8.150 nan 0.000 0.444 319 L N -1.291 119.911 121.223 -0.036 0.000 2.056 319 L HA -0.173 4.169 4.340 0.004 0.000 0.207 319 L C 2.874 179.730 176.870 -0.024 0.000 1.078 319 L CA 1.425 56.247 54.840 -0.031 0.000 0.749 319 L CB -0.463 41.569 42.059 -0.044 0.000 0.901 319 L HN 0.341 nan 8.230 nan 0.000 0.433 320 R N 0.003 120.487 120.500 -0.026 0.000 2.073 320 R HA -0.164 4.179 4.340 0.004 0.000 0.234 320 R C 1.973 178.265 176.300 -0.015 0.000 1.134 320 R CA 1.710 57.798 56.100 -0.020 0.000 0.952 320 R CB -0.376 29.912 30.300 -0.021 0.000 0.850 320 R HN 0.358 nan 8.270 nan 0.000 0.433 321 D N 0.395 120.786 120.400 -0.015 0.000 2.144 321 D HA -0.115 4.527 4.640 0.004 0.000 0.199 321 D C 1.639 177.934 176.300 -0.008 0.000 0.984 321 D CA 1.453 55.446 54.000 -0.011 0.000 0.834 321 D CB -0.190 40.603 40.800 -0.011 0.000 0.955 321 D HN 0.269 nan 8.370 nan 0.000 0.465 322 A N -0.148 122.667 122.820 -0.008 0.000 2.168 322 A HA 0.300 4.622 4.320 0.004 0.000 0.215 322 A C 1.848 179.430 177.584 -0.004 0.000 1.152 322 A CA 1.417 53.451 52.037 -0.004 0.000 0.716 322 A CB -0.293 18.706 19.000 -0.003 0.000 0.794 322 A HN 0.297 nan 8.150 nan 0.000 0.465 323 G N -2.194 106.603 108.800 -0.006 0.000 2.141 323 G HA2 0.102 4.064 3.960 0.004 0.000 0.242 323 G HA3 0.102 4.064 3.960 0.004 0.000 0.242 323 G C 0.388 175.285 174.900 -0.004 0.000 0.982 323 G CA 0.334 45.432 45.100 -0.005 0.000 0.662 323 G HN 1.563 nan 8.290 nan 0.000 0.527 324 A N -0.121 122.696 122.820 -0.005 0.000 2.407 324 A HA 0.604 4.926 4.320 0.004 0.000 0.248 324 A C 0.493 178.073 177.584 -0.007 0.000 1.082 324 A CA -0.007 52.028 52.037 -0.004 0.000 0.785 324 A CB 0.428 19.425 19.000 -0.005 0.000 1.020 324 A HN 0.268 nan 8.150 nan 0.000 0.489 325 E N 1.065 121.263 120.200 -0.004 0.000 2.283 325 E HA 0.414 4.767 4.350 0.004 0.000 0.278 325 E C -0.617 175.979 176.600 -0.007 0.000 1.027 325 E CA 0.064 56.462 56.400 -0.004 0.000 0.843 325 E CB 1.233 30.932 29.700 -0.001 0.000 1.062 325 E HN 0.502 nan 8.360 nan 0.000 0.401 326 I N 1.679 122.243 120.570 -0.008 0.000 2.377 326 I HA 0.488 4.660 4.170 0.004 0.000 0.293 326 I C 0.065 176.181 176.117 -0.003 0.000 0.987 326 I CA -0.754 60.540 61.300 -0.010 0.000 1.185 326 I CB 1.685 39.677 38.000 -0.013 0.000 1.341 326 I HN 0.397 nan 8.210 nan 0.000 0.455 327 A N 7.107 129.925 122.820 -0.003 0.000 2.384 327 A HA 0.942 5.264 4.320 0.004 0.000 0.312 327 A C -1.103 176.483 177.584 0.004 0.000 1.113 327 A CA -0.583 51.455 52.037 0.002 0.000 0.779 327 A CB 1.577 20.579 19.000 0.002 0.000 1.307 327 A HN 0.665 nan 8.150 nan 0.000 0.436 328 L N 0.349 121.576 121.223 0.007 0.000 2.386 328 L HA 0.807 5.150 4.340 0.004 0.000 0.271 328 L C 0.085 176.956 176.870 0.001 0.000 0.993 328 L CA -0.458 54.387 54.840 0.008 0.000 0.819 328 L CB 2.154 44.218 42.059 0.008 0.000 1.294 328 L HN 0.954 nan 8.230 nan 0.000 0.414 329 A N 0.208 123.022 122.820 -0.011 0.000 2.566 329 A HA 0.603 4.925 4.320 0.004 0.000 0.292 329 A C 0.433 178.024 177.584 0.011 0.000 1.112 329 A CA 0.147 52.189 52.037 0.009 0.000 0.707 329 A CB 1.534 20.554 19.000 0.033 0.000 1.302 329 A HN 0.782 nan 8.150 nan 0.000 0.409 330 T N -2.394 112.189 114.554 0.049 0.000 2.985 330 T HA 0.051 4.404 4.350 0.004 0.000 0.266 330 T C 0.654 175.419 174.700 0.109 0.000 1.076 330 T CA 1.568 63.708 62.100 0.067 0.000 1.135 330 T CB -0.344 68.573 68.868 0.081 0.000 0.890 330 T HN 1.254 nan 8.240 nan 0.000 0.480 331 D N -0.172 120.323 120.400 0.159 0.000 2.837 331 D HA -0.194 4.448 4.640 0.004 0.000 0.230 331 D C 0.034 176.533 176.300 0.332 0.000 1.152 331 D CA 0.569 54.748 54.000 0.297 0.000 0.736 331 D CB -2.260 38.610 40.800 0.117 0.000 1.084 331 D HN 0.737 nan 8.370 nan 0.000 0.429 332 C N 1.934 121.397 119.300 0.271 0.000 2.409 332 C HA 0.309 4.771 4.460 0.004 0.000 0.399 332 C C 0.491 175.676 174.990 0.325 0.000 1.505 332 C CA 0.680 59.851 59.018 0.255 0.000 1.435 332 C CB -2.076 25.804 27.740 0.233 0.000 2.462 332 C HN 0.594 nan 8.230 nan 0.000 0.619 333 N N 4.330 123.132 118.700 0.171 0.000 2.598 333 N HA 0.512 5.254 4.740 0.004 0.000 0.263 333 N C -2.274 173.063 175.510 -0.287 0.000 1.254 333 N CA -1.342 51.684 53.050 -0.040 0.000 0.863 333 N CB 1.320 39.793 38.487 -0.023 0.000 1.586 333 N HN 0.213 nan 8.380 nan 0.000 0.491 334 P HA 0.036 nan 4.420 nan 0.000 0.225 334 P C 0.797 177.934 177.300 -0.273 0.000 1.156 334 P CA 1.228 63.985 63.100 -0.573 0.000 0.787 334 P CB 0.081 31.214 31.700 -0.945 0.000 0.802 335 G N -0.024 108.647 108.800 -0.215 0.000 2.490 335 G HA2 -0.064 3.898 3.960 0.004 0.000 0.211 335 G HA3 -0.064 3.898 3.960 0.004 0.000 0.211 335 G C 1.395 176.281 174.900 -0.023 0.000 1.159 335 G CA 1.284 46.330 45.100 -0.089 0.000 0.819 335 G HN 0.433 nan 8.290 nan 0.000 0.539 336 T N -4.354 110.195 114.554 -0.008 0.000 2.975 336 T HA 0.379 4.731 4.350 0.004 0.000 0.261 336 T C 0.680 175.424 174.700 0.073 0.000 0.984 336 T CA 0.758 62.879 62.100 0.034 0.000 0.911 336 T CB 0.661 69.552 68.868 0.038 0.000 1.127 336 T HN 0.139 nan 8.240 nan 0.000 0.514 337 S N 2.943 118.684 115.700 0.068 0.000 2.708 337 S HA 0.361 4.834 4.470 0.004 0.000 0.141 337 S C -2.994 171.659 174.600 0.087 0.000 1.349 337 S CA -0.809 57.457 58.200 0.110 0.000 1.206 337 S CB 1.086 64.376 63.200 0.150 0.000 1.603 337 S HN 0.142 nan 8.310 nan 0.000 0.415 338 P HA 0.181 nan 4.420 nan 0.000 0.232 338 P C -0.364 176.973 177.300 0.063 0.000 1.738 338 P CA -0.232 62.891 63.100 0.039 0.000 0.948 338 P CB -0.311 31.375 31.700 -0.024 0.000 1.943 339 L N 1.952 123.227 121.223 0.087 0.000 2.282 339 L HA 0.428 4.771 4.340 0.004 0.000 0.288 339 L C 0.710 177.625 176.870 0.076 0.000 1.033 339 L CA 0.211 55.094 54.840 0.071 0.000 0.807 339 L CB 1.378 43.479 42.059 0.069 0.000 1.209 339 L HN -0.052 nan 8.230 nan 0.000 0.423 340 T N -0.435 114.150 114.554 0.052 0.000 3.296 340 T HA 0.304 4.657 4.350 0.004 0.000 0.285 340 T C 0.268 174.985 174.700 0.029 0.000 1.014 340 T CA -0.114 62.016 62.100 0.049 0.000 0.920 340 T CB -0.291 68.604 68.868 0.044 0.000 1.143 340 T HN 0.497 nan 8.240 nan 0.000 0.522 341 S N 0.970 116.682 115.700 0.020 0.000 2.707 341 S HA 0.510 4.982 4.470 0.004 0.000 0.303 341 S C 0.417 175.022 174.600 0.008 0.000 1.132 341 S CA -0.789 57.417 58.200 0.011 0.000 1.046 341 S CB 1.251 64.448 63.200 -0.004 0.000 1.004 341 S HN 0.238 nan 8.310 nan 0.000 0.483 342 L N 5.904 127.140 121.223 0.022 0.000 2.240 342 L HA 0.320 4.663 4.340 0.004 0.000 0.211 342 L C 1.732 178.602 176.870 -0.000 0.000 1.106 342 L CA 1.445 56.296 54.840 0.018 0.000 0.793 342 L CB -0.462 41.620 42.059 0.040 0.000 0.927 342 L HN 0.824 nan 8.230 nan 0.000 0.446 343 L N -1.520 119.707 121.223 0.007 0.000 2.056 343 L HA -0.197 4.145 4.340 0.004 0.000 0.207 343 L C 2.364 179.205 176.870 -0.048 0.000 1.078 343 L CA 0.863 55.690 54.840 -0.021 0.000 0.749 343 L CB -0.599 41.463 42.059 0.005 0.000 0.901 343 L HN 0.309 nan 8.230 nan 0.000 0.433 344 L N -0.638 120.558 121.223 -0.045 0.000 2.093 344 L HA -0.150 4.192 4.340 0.004 0.000 0.208 344 L C 2.412 179.220 176.870 -0.102 0.000 1.085 344 L CA 1.940 56.733 54.840 -0.079 0.000 0.755 344 L CB -0.752 41.258 42.059 -0.081 0.000 0.904 344 L HN 0.123 nan 8.230 nan 0.000 0.435 345 T N -0.301 114.207 114.554 -0.077 0.000 2.720 345 T HA -0.242 4.110 4.350 0.004 0.000 0.268 345 T C 1.920 176.558 174.700 -0.102 0.000 1.037 345 T CA 2.164 64.213 62.100 -0.086 0.000 1.144 345 T CB -0.234 68.608 68.868 -0.043 0.000 0.864 345 T HN 0.335 nan 8.240 nan 0.000 0.444 346 M N 1.162 120.712 119.600 -0.082 0.000 2.132 346 M HA -0.081 4.402 4.480 0.004 0.000 0.263 346 M C 2.491 178.729 176.300 -0.102 0.000 1.065 346 M CA 1.153 56.402 55.300 -0.084 0.000 1.122 346 M CB -0.501 32.050 32.600 -0.081 0.000 1.365 346 M HN 0.266 nan 8.290 nan 0.000 0.411 347 N N 0.838 119.472 118.700 -0.109 0.000 2.166 347 N HA -0.141 4.601 4.740 0.004 0.000 0.186 347 N C 1.548 176.970 175.510 -0.147 0.000 1.019 347 N CA 1.340 54.321 53.050 -0.115 0.000 0.856 347 N CB 0.002 38.417 38.487 -0.119 0.000 0.993 347 N HN 0.391 nan 8.380 nan 0.000 0.426 348 M N -0.216 119.270 119.600 -0.190 0.000 2.254 348 M HA 0.012 4.494 4.480 0.004 0.000 0.265 348 M C 2.313 178.398 176.300 -0.359 0.000 1.066 348 M CA 1.257 56.396 55.300 -0.267 0.000 1.123 348 M CB -0.329 32.092 32.600 -0.299 0.000 1.388 348 M HN 0.149 nan 8.290 nan 0.000 0.425 349 G N 0.224 108.853 108.800 -0.284 0.000 2.422 349 G HA2 -0.118 3.844 3.960 0.004 0.000 0.218 349 G HA3 -0.118 3.844 3.960 0.004 0.000 0.218 349 G C 1.625 176.454 174.900 -0.118 0.000 1.146 349 G CA 1.011 45.970 45.100 -0.235 0.000 0.769 349 G HN 0.517 nan 8.290 nan 0.000 0.547 350 A N 0.195 122.955 122.820 -0.099 0.000 1.872 350 A HA 0.070 4.393 4.320 0.004 0.000 0.214 350 A C 2.543 180.093 177.584 -0.056 0.000 1.187 350 A CA 2.313 54.317 52.037 -0.054 0.000 0.614 350 A CB -0.814 18.157 19.000 -0.048 0.000 0.826 350 A HN 0.270 nan 8.150 nan 0.000 0.442 351 T N 0.436 114.936 114.554 -0.089 0.000 2.737 351 T HA -0.008 4.345 4.350 0.004 0.000 0.265 351 T C 1.817 176.478 174.700 -0.065 0.000 1.038 351 T CA 1.498 63.557 62.100 -0.070 0.000 1.144 351 T CB -0.289 68.530 68.868 -0.082 0.000 0.866 351 T HN 0.321 nan 8.240 nan 0.000 0.434 352 L N -0.807 120.322 121.223 -0.156 0.000 2.168 352 L HA 0.187 4.529 4.340 0.004 0.000 0.203 352 L C 1.817 178.677 176.870 -0.017 0.000 1.078 352 L CA 0.825 55.576 54.840 -0.148 0.000 0.780 352 L CB -0.222 41.629 42.059 -0.346 0.000 0.939 352 L HN 0.190 nan 8.230 nan 0.000 0.451 353 F N -0.139 119.708 119.950 -0.171 0.000 2.727 353 F HA 0.209 4.738 4.527 0.005 0.000 0.302 353 F C 0.658 176.390 175.800 -0.114 0.000 1.097 353 F CA -0.626 57.261 58.000 -0.188 0.000 1.330 353 F CB -0.188 38.692 39.000 -0.201 0.000 1.084 353 F HN -0.023 nan 8.300 nan 0.000 0.578 354 R N -0.448 120.102 120.500 0.084 0.000 3.531 354 R HA -0.224 4.118 4.340 0.004 0.000 0.280 354 R C -0.287 176.030 176.300 0.028 0.000 1.130 354 R CA 0.284 56.406 56.100 0.036 0.000 0.757 354 R CB -2.969 27.347 30.300 0.026 0.000 1.218 354 R HN 0.341 nan 8.270 nan 0.000 0.454 355 M N 0.547 120.170 119.600 0.038 0.000 2.250 355 M HA 0.116 4.598 4.480 0.004 0.000 0.344 355 M C 1.410 177.708 176.300 -0.004 0.000 1.150 355 M CA 0.222 55.535 55.300 0.021 0.000 1.147 355 M CB 1.079 33.702 32.600 0.038 0.000 1.498 355 M HN 0.249 nan 8.290 nan 0.000 0.461 356 T N -0.669 113.878 114.554 -0.012 0.000 2.766 356 T HA 0.169 4.521 4.350 0.004 0.000 0.295 356 T C 1.144 175.822 174.700 -0.035 0.000 1.024 356 T CA -1.020 61.066 62.100 -0.024 0.000 1.018 356 T CB 0.706 69.559 68.868 -0.025 0.000 1.002 356 T HN 0.431 nan 8.240 nan 0.000 0.532 357 V N 1.055 120.940 119.914 -0.048 0.000 2.332 357 V HA -0.149 3.974 4.120 0.004 0.000 0.248 357 V C 2.845 178.895 176.094 -0.073 0.000 1.055 357 V CA 2.399 64.658 62.300 -0.068 0.000 1.038 357 V CB -1.049 30.722 31.823 -0.087 0.000 0.651 357 V HN 1.081 nan 8.190 nan 0.000 0.450 358 E N 0.111 120.275 120.200 -0.061 0.000 2.077 358 E HA -0.266 4.087 4.350 0.004 0.000 0.193 358 E C 2.145 178.720 176.600 -0.041 0.000 0.989 358 E CA 1.647 58.015 56.400 -0.054 0.000 0.800 358 E CB -0.088 29.587 29.700 -0.041 0.000 0.746 358 E HN 0.728 nan 8.360 nan 0.000 0.452 359 E N -0.243 119.938 120.200 -0.032 0.000 2.106 359 E HA -0.175 4.178 4.350 0.004 0.000 0.192 359 E C 2.279 178.865 176.600 -0.023 0.000 0.984 359 E CA 1.241 57.628 56.400 -0.022 0.000 0.806 359 E CB -0.086 29.605 29.700 -0.014 0.000 0.750 359 E HN 0.383 nan 8.360 nan 0.000 0.458 360 C N 0.644 119.924 119.300 -0.034 0.000 2.440 360 C HA -0.052 4.411 4.460 0.004 0.000 0.278 360 C C 2.558 177.519 174.990 -0.049 0.000 1.295 360 C CA 0.338 59.333 59.018 -0.039 0.000 1.738 360 C CB -0.802 26.906 27.740 -0.054 0.000 1.987 360 C HN 0.386 nan 8.230 nan 0.000 0.492 361 L N 0.309 121.494 121.223 -0.064 0.000 2.109 361 L HA -0.109 4.233 4.340 0.004 0.000 0.207 361 L C 2.635 179.486 176.870 -0.032 0.000 1.086 361 L CA 1.526 56.325 54.840 -0.068 0.000 0.760 361 L CB -1.042 40.958 42.059 -0.098 0.000 0.910 361 L HN 0.338 nan 8.230 nan 0.000 0.437 362 T N -0.098 114.441 114.554 -0.025 0.000 2.904 362 T HA -0.058 4.294 4.350 0.004 0.000 0.267 362 T C 1.985 176.684 174.700 -0.002 0.000 1.059 362 T CA 1.060 63.155 62.100 -0.009 0.000 1.137 362 T CB -0.132 68.729 68.868 -0.010 0.000 0.879 362 T HN 0.401 nan 8.240 nan 0.000 0.467 363 A N 1.752 124.568 122.820 -0.006 0.000 2.070 363 A HA -0.055 4.267 4.320 0.004 0.000 0.220 363 A C 2.300 179.887 177.584 0.006 0.000 1.159 363 A CA 1.731 53.768 52.037 0.000 0.000 0.656 363 A CB -0.725 18.274 19.000 -0.000 0.000 0.800 363 A HN 0.589 nan 8.150 nan 0.000 0.453 364 T N -4.440 110.118 114.554 0.007 0.000 3.129 364 T HA 0.271 4.623 4.350 0.004 0.000 0.267 364 T C 0.861 175.584 174.700 0.039 0.000 1.018 364 T CA 0.843 62.956 62.100 0.021 0.000 0.903 364 T CB 0.007 68.886 68.868 0.018 0.000 1.067 364 T HN 0.513 nan 8.240 nan 0.000 0.549 365 T N -0.698 113.877 114.554 0.034 0.000 3.212 365 T HA 0.324 4.676 4.350 0.004 0.000 0.157 365 T C 1.630 176.352 174.700 0.036 0.000 0.908 365 T CA -0.173 61.956 62.100 0.047 0.000 0.954 365 T CB 0.308 69.210 68.868 0.056 0.000 1.709 365 T HN 0.090 nan 8.240 nan 0.000 0.335 366 R N 1.240 121.757 120.500 0.028 0.000 2.080 366 R HA -0.054 4.289 4.340 0.004 0.000 0.236 366 R C 2.116 178.426 176.300 0.016 0.000 1.137 366 R CA 2.125 58.237 56.100 0.021 0.000 0.943 366 R CB -0.470 29.839 30.300 0.015 0.000 0.846 366 R HN 0.391 nan 8.270 nan 0.000 0.431 367 N N 0.177 118.885 118.700 0.012 0.000 2.309 367 N HA -0.091 4.651 4.740 0.004 0.000 0.182 367 N C 1.391 176.908 175.510 0.012 0.000 1.018 367 N CA 1.274 54.329 53.050 0.009 0.000 0.876 367 N CB -0.219 38.271 38.487 0.005 0.000 0.972 367 N HN 0.334 nan 8.380 nan 0.000 0.434 368 A N 0.760 123.590 122.820 0.017 0.000 1.929 368 A HA 0.121 4.443 4.320 0.004 0.000 0.216 368 A C 2.318 179.914 177.584 0.020 0.000 1.176 368 A CA 1.596 53.645 52.037 0.020 0.000 0.628 368 A CB -0.707 18.309 19.000 0.026 0.000 0.816 368 A HN 0.274 nan 8.150 nan 0.000 0.444 369 A N -0.036 122.798 122.820 0.023 0.000 1.902 369 A HA -0.167 4.156 4.320 0.004 0.000 0.217 369 A C 2.118 179.711 177.584 0.015 0.000 1.181 369 A CA 2.012 54.063 52.037 0.023 0.000 0.623 369 A CB -0.436 18.580 19.000 0.027 0.000 0.818 369 A HN 0.549 nan 8.150 nan 0.000 0.443 370 K N -0.252 120.156 120.400 0.012 0.000 2.097 370 K HA -0.029 4.293 4.320 0.004 0.000 0.205 370 K C 1.982 178.585 176.600 0.005 0.000 1.050 370 K CA 1.136 57.427 56.287 0.008 0.000 0.938 370 K CB -0.318 32.186 32.500 0.007 0.000 0.718 370 K HN 0.348 nan 8.250 nan 0.000 0.442 371 A N 0.640 123.464 122.820 0.006 0.000 2.125 371 A HA -0.045 4.278 4.320 0.004 0.000 0.219 371 A C 1.680 179.263 177.584 -0.002 0.000 1.156 371 A CA 1.006 53.045 52.037 0.003 0.000 0.671 371 A CB -0.268 18.736 19.000 0.007 0.000 0.794 371 A HN 0.344 nan 8.150 nan 0.000 0.459 372 L N -1.734 119.490 121.223 0.001 0.000 2.693 372 L HA 0.274 4.616 4.340 0.004 0.000 0.235 372 L C 1.429 178.298 176.870 -0.002 0.000 1.127 372 L CA 0.368 55.206 54.840 -0.003 0.000 0.914 372 L CB 0.028 42.090 42.059 0.004 0.000 1.193 372 L HN 0.493 nan 8.230 nan 0.000 0.502 373 G N 1.118 109.917 108.800 -0.001 0.000 2.198 373 G HA2 -0.281 3.681 3.960 0.004 0.000 0.260 373 G HA3 -0.281 3.681 3.960 0.004 0.000 0.260 373 G C 0.455 175.357 174.900 0.004 0.000 1.025 373 G CA 0.307 45.406 45.100 -0.001 0.000 0.769 373 G HN 0.368 nan 8.290 nan 0.000 0.507 374 L N -0.862 120.366 121.223 0.009 0.000 2.959 374 L HA 0.321 4.663 4.340 0.004 0.000 0.259 374 L C 2.279 179.158 176.870 0.014 0.000 1.185 374 L CA -0.379 54.469 54.840 0.013 0.000 0.998 374 L CB 0.207 42.278 42.059 0.020 0.000 1.337 374 L HN 0.239 nan 8.230 nan 0.000 0.555 375 L N 1.241 122.471 121.223 0.011 0.000 2.079 375 L HA -0.158 4.185 4.340 0.004 0.000 0.210 375 L C 2.547 179.423 176.870 0.010 0.000 1.081 375 L CA 2.195 57.042 54.840 0.012 0.000 0.752 375 L CB -0.430 41.634 42.059 0.009 0.000 0.896 375 L HN 0.266 nan 8.230 nan 0.000 0.433 376 A N -1.412 121.412 122.820 0.007 0.000 2.067 376 A HA -0.161 4.161 4.320 0.004 0.000 0.219 376 A C 2.206 179.794 177.584 0.005 0.000 1.158 376 A CA 1.523 53.564 52.037 0.006 0.000 0.661 376 A CB -0.382 18.621 19.000 0.005 0.000 0.801 376 A HN 0.531 nan 8.150 nan 0.000 0.452 377 E N -1.547 118.657 120.200 0.006 0.000 2.201 377 E HA 0.114 4.467 4.350 0.004 0.000 0.193 377 E C 0.826 177.429 176.600 0.005 0.000 0.957 377 E CA 1.271 57.673 56.400 0.003 0.000 0.858 377 E CB 0.267 29.969 29.700 0.004 0.000 0.816 377 E HN 0.365 nan 8.360 nan 0.000 0.475 378 T N -3.511 111.053 114.554 0.016 0.000 2.648 378 T HA 0.494 4.847 4.350 0.004 0.000 0.304 378 T C 0.138 174.859 174.700 0.034 0.000 1.312 378 T CA 0.107 62.223 62.100 0.026 0.000 1.023 378 T CB 0.821 69.711 68.868 0.037 0.000 1.612 378 T HN 0.374 nan 8.240 nan 0.000 0.487 379 G N 0.395 109.224 108.800 0.048 0.000 2.234 379 G HA2 -0.090 3.873 3.960 0.004 0.000 0.235 379 G HA3 -0.090 3.873 3.960 0.004 0.000 0.235 379 G C 0.281 175.209 174.900 0.046 0.000 0.997 379 G CA 0.976 46.106 45.100 0.049 0.000 0.623 379 G HN 1.857 nan 8.290 nan 0.000 0.514 380 T N -1.763 112.815 114.554 0.039 0.000 2.868 380 T HA 0.666 5.018 4.350 0.004 0.000 0.306 380 T C -0.354 174.357 174.700 0.020 0.000 1.224 380 T CA -0.814 61.303 62.100 0.029 0.000 1.012 380 T CB 1.881 70.757 68.868 0.013 0.000 1.221 380 T HN 0.642 nan 8.240 nan 0.000 0.499 381 L N 2.045 123.268 121.223 -0.000 0.000 2.389 381 L HA 0.484 4.826 4.340 0.004 0.000 0.265 381 L C 0.190 177.019 176.870 -0.069 0.000 1.167 381 L CA -0.217 54.599 54.840 -0.038 0.000 1.045 381 L CB -0.347 41.664 42.059 -0.079 0.000 1.351 381 L HN 0.683 nan 8.230 nan 0.000 0.419 382 E N 1.310 121.481 120.200 -0.048 0.000 2.343 382 E HA 0.625 4.978 4.350 0.004 0.000 0.270 382 E C -0.629 175.950 176.600 -0.035 0.000 0.895 382 E CA -0.983 55.383 56.400 -0.056 0.000 0.767 382 E CB 2.430 32.112 29.700 -0.030 0.000 1.248 382 E HN 0.484 nan 8.360 nan 0.000 0.440 383 A N 0.719 123.520 122.820 -0.031 0.000 2.483 383 A HA 0.453 4.775 4.320 0.004 0.000 0.238 383 A C 1.202 178.796 177.584 0.018 0.000 1.070 383 A CA 1.009 53.053 52.037 0.012 0.000 0.770 383 A CB -0.422 18.607 19.000 0.050 0.000 1.008 383 A HN 0.904 nan 8.150 nan 0.000 0.497 384 G N 1.070 109.886 108.800 0.026 0.000 2.241 384 G HA2 -0.214 3.748 3.960 0.004 0.000 0.244 384 G HA3 -0.214 3.748 3.960 0.004 0.000 0.244 384 G C 0.403 175.309 174.900 0.011 0.000 0.998 384 G CA 0.686 45.798 45.100 0.020 0.000 0.621 384 G HN 0.843 nan 8.290 nan 0.000 0.519 385 K N 0.647 121.052 120.400 0.009 0.000 2.109 385 K HA 0.602 4.924 4.320 0.004 0.000 0.243 385 K C 0.573 177.172 176.600 -0.002 0.000 1.006 385 K CA -0.035 56.254 56.287 0.004 0.000 0.917 385 K CB 1.212 33.716 32.500 0.007 0.000 1.081 385 K HN 0.132 nan 8.250 nan 0.000 0.468 386 S N 0.304 115.992 115.700 -0.021 0.000 2.560 386 S HA 0.096 4.568 4.470 0.004 0.000 0.284 386 S C -0.150 174.430 174.600 -0.033 0.000 1.327 386 S CA -0.586 57.577 58.200 -0.062 0.000 1.055 386 S CB 0.292 63.428 63.200 -0.108 0.000 0.868 386 S HN 0.588 nan 8.310 nan 0.000 0.506 387 A N 4.533 127.320 122.820 -0.055 0.000 3.056 387 A HA 0.318 4.640 4.320 0.004 0.000 0.274 387 A C -0.683 176.805 177.584 -0.161 0.000 1.661 387 A CA -0.575 51.475 52.037 0.022 0.000 1.363 387 A CB -0.343 18.687 19.000 0.050 0.000 1.139 387 A HN 0.734 nan 8.150 nan 0.000 0.598 388 D N 2.339 122.706 120.400 -0.055 0.000 2.440 388 D HA 0.581 5.224 4.640 0.004 0.000 0.239 388 D C -0.561 175.745 176.300 0.010 0.000 1.084 388 D CA 0.209 54.133 54.000 -0.127 0.000 0.843 388 D CB 0.932 41.742 40.800 0.016 0.000 1.097 388 D HN 0.407 nan 8.370 nan 0.000 0.531 389 F N -0.520 119.364 119.950 -0.112 0.000 2.662 389 F HA 0.834 5.363 4.527 0.004 0.000 0.312 389 F C -1.267 174.442 175.800 -0.152 0.000 1.113 389 F CA -1.617 56.317 58.000 -0.110 0.000 0.951 389 F CB 1.236 40.143 39.000 -0.155 0.000 1.344 389 F HN 0.214 nan 8.300 nan 0.000 0.462 390 A N 2.260 125.145 122.820 0.108 0.000 2.331 390 A HA 0.801 5.124 4.320 0.004 0.000 0.320 390 A C -1.206 176.198 177.584 -0.300 0.000 1.138 390 A CA -0.716 51.174 52.037 -0.245 0.000 0.790 390 A CB 0.767 19.502 19.000 -0.441 0.000 1.206 390 A HN 0.622 nan 8.150 nan 0.000 0.470 391 I N 1.496 121.865 120.570 -0.334 0.000 2.336 391 I HA 0.363 4.535 4.170 0.004 0.000 0.292 391 I C -0.840 175.132 176.117 -0.242 0.000 0.991 391 I CA -0.541 60.705 61.300 -0.090 0.000 1.227 391 I CB 0.494 38.583 38.000 0.149 0.000 1.366 391 I HN 0.744 nan 8.210 nan 0.000 0.466 392 W N 3.912 125.352 121.300 0.232 0.000 2.706 392 W HA 0.404 5.066 4.660 0.003 0.000 0.346 392 W C 0.068 176.708 176.519 0.201 0.000 1.071 392 W CA -0.632 56.841 57.345 0.214 0.000 1.206 392 W CB 1.047 30.617 29.460 0.183 0.000 1.413 392 W HN 0.322 nan 8.180 nan 0.000 0.542 393 D N 3.039 123.712 120.400 0.454 0.000 2.781 393 D HA 0.248 4.891 4.640 0.004 0.000 0.254 393 D C -0.340 176.150 176.300 0.316 0.000 1.213 393 D CA 0.124 54.307 54.000 0.306 0.000 0.994 393 D CB -0.102 40.862 40.800 0.274 0.000 1.019 393 D HN 0.337 nan 8.370 nan 0.000 0.514 394 I N -3.011 117.753 120.570 0.322 0.000 3.042 394 I HA 0.433 4.605 4.170 0.004 0.000 0.310 394 I C 0.694 176.963 176.117 0.254 0.000 1.117 394 I CA -0.875 60.561 61.300 0.228 0.000 1.003 394 I CB 2.383 40.451 38.000 0.113 0.000 1.228 394 I HN -0.346 nan 8.210 nan 0.000 0.443 395 E N 1.801 122.092 120.200 0.152 0.000 2.102 395 E HA 0.171 4.524 4.350 0.004 0.000 0.190 395 E C -0.024 176.694 176.600 0.197 0.000 0.971 395 E CA 0.853 57.364 56.400 0.185 0.000 0.821 395 E CB 0.284 30.036 29.700 0.087 0.000 0.777 395 E HN 0.583 nan 8.360 nan 0.000 0.460 396 R N -0.651 119.804 120.500 -0.075 0.000 2.725 396 R HA 0.258 4.600 4.340 0.004 0.000 0.277 396 R C -2.174 173.782 176.300 -0.572 0.000 0.987 396 R CA -1.624 54.280 56.100 -0.326 0.000 0.901 396 R CB 1.783 31.974 30.300 -0.182 0.000 1.207 396 R HN -0.224 nan 8.270 nan 0.000 0.463 397 P HA -0.193 nan 4.420 nan 0.000 0.219 397 P C 0.728 177.773 177.300 -0.425 0.000 1.146 397 P CA 1.364 64.032 63.100 -0.720 0.000 0.808 397 P CB 0.226 31.467 31.700 -0.764 0.000 0.779 398 A N -0.049 122.573 122.820 -0.329 0.000 2.076 398 A HA -0.243 4.080 4.320 0.004 0.000 0.220 398 A C 2.072 179.571 177.584 -0.141 0.000 1.160 398 A CA 1.508 53.418 52.037 -0.211 0.000 0.653 398 A CB -1.110 17.776 19.000 -0.190 0.000 0.801 398 A HN 0.220 nan 8.150 nan 0.000 0.455 399 E N -0.216 119.891 120.200 -0.155 0.000 2.204 399 E HA -0.140 4.212 4.350 0.004 0.000 0.195 399 E C 1.635 178.218 176.600 -0.029 0.000 0.990 399 E CA 0.933 57.325 56.400 -0.013 0.000 0.821 399 E CB -0.266 29.419 29.700 -0.025 0.000 0.750 399 E HN 0.687 nan 8.360 nan 0.000 0.477 400 L N 0.143 121.250 121.223 -0.193 0.000 2.275 400 L HA -0.110 4.232 4.340 0.004 0.000 0.215 400 L C 2.025 178.800 176.870 -0.159 0.000 1.119 400 L CA 0.469 55.151 54.840 -0.264 0.000 0.790 400 L CB -0.034 41.716 42.059 -0.516 0.000 0.919 400 L HN 0.061 nan 8.230 nan 0.000 0.443 401 V N -1.985 117.866 119.914 -0.106 0.000 2.922 401 V HA -0.169 3.953 4.120 0.004 0.000 0.242 401 V C 1.999 178.087 176.094 -0.010 0.000 1.094 401 V CA 0.585 62.843 62.300 -0.069 0.000 1.106 401 V CB -0.435 31.345 31.823 -0.072 0.000 0.799 401 V HN 0.330 nan 8.190 nan 0.000 0.474 402 Y N 2.404 122.637 120.300 -0.113 0.000 2.145 402 Y HA -0.017 4.535 4.550 0.004 0.000 0.286 402 Y C 1.596 177.449 175.900 -0.077 0.000 1.145 402 Y CA 0.946 58.991 58.100 -0.093 0.000 1.148 402 Y CB -0.120 38.282 38.460 -0.098 0.000 0.981 402 Y HN 0.093 nan 8.280 nan 0.000 0.507 403 R N 1.140 121.474 120.500 -0.276 0.000 2.641 403 R HA 0.336 4.679 4.340 0.004 0.000 0.269 403 R C -0.903 175.275 176.300 -0.203 0.000 1.074 403 R CA -0.042 55.837 56.100 -0.368 0.000 1.133 403 R CB 0.545 30.761 30.300 -0.142 0.000 1.029 403 R HN 0.248 nan 8.270 nan 0.000 0.488 404 I N 0.731 121.188 120.570 -0.188 0.000 2.382 404 I HA 0.222 4.395 4.170 0.004 0.000 0.285 404 I C 0.621 176.717 176.117 -0.035 0.000 1.007 404 I CA -0.258 60.974 61.300 -0.114 0.000 1.142 404 I CB 1.858 39.777 38.000 -0.135 0.000 1.289 404 I HN 0.910 nan 8.210 nan 0.000 0.453 405 G N 4.880 113.679 108.800 -0.001 0.000 2.289 405 G HA2 -0.283 3.679 3.960 0.004 0.000 0.280 405 G HA3 -0.283 3.679 3.960 0.004 0.000 0.280 405 G C -0.684 174.298 174.900 0.135 0.000 1.089 405 G CA -0.249 44.874 45.100 0.037 0.000 0.939 405 G HN 0.498 nan 8.290 nan 0.000 0.499 406 F N 0.017 119.947 119.950 -0.032 0.000 2.601 406 F HA 0.727 5.256 4.527 0.003 0.000 0.309 406 F C -0.835 174.985 175.800 0.033 0.000 1.089 406 F CA -1.873 56.126 58.000 -0.002 0.000 0.940 406 F CB 2.236 41.228 39.000 -0.012 0.000 1.273 406 F HN 0.054 nan 8.300 nan 0.000 0.450 407 N N 5.360 123.644 118.700 -0.694 0.000 2.573 407 N HA 0.429 5.171 4.740 0.004 0.000 0.262 407 N C -2.540 172.755 175.510 -0.357 0.000 1.029 407 N CA -2.019 50.845 53.050 -0.309 0.000 0.882 407 N CB 1.893 40.266 38.487 -0.189 0.000 1.204 407 N HN 0.362 nan 8.380 nan 0.000 0.519 408 P HA 0.133 nan 4.420 nan 0.000 0.258 408 P C 0.049 177.607 177.300 0.431 0.000 1.416 408 P CA -0.340 62.951 63.100 0.319 0.000 0.927 408 P CB 0.184 32.192 31.700 0.514 0.000 1.444 409 L N 1.041 122.437 121.223 0.289 0.000 2.513 409 L HA 0.046 4.389 4.340 0.004 0.000 0.272 409 L C 1.661 178.528 176.870 -0.005 0.000 1.187 409 L CA 0.591 55.413 54.840 -0.029 0.000 0.895 409 L CB 0.209 42.143 42.059 -0.208 0.000 1.147 409 L HN -0.029 nan 8.230 nan 0.000 0.483 410 H N 4.286 123.285 119.070 -0.119 0.000 2.439 410 H HA 0.609 5.167 4.556 0.004 0.000 0.299 410 H C -0.146 175.136 175.328 -0.076 0.000 1.033 410 H CA 0.692 56.717 56.048 -0.039 0.000 1.348 410 H CB 0.556 30.337 29.762 0.031 0.000 1.449 410 H HN 0.684 nan 8.280 nan 0.000 0.544 411 A N -0.313 122.389 122.820 -0.195 0.000 2.604 411 A HA 0.581 4.904 4.320 0.004 0.000 0.295 411 A C -1.329 176.121 177.584 -0.223 0.000 1.067 411 A CA -0.809 51.104 52.037 -0.205 0.000 0.683 411 A CB 1.286 20.229 19.000 -0.094 0.000 1.281 411 A HN 0.319 nan 8.150 nan 0.000 0.407 412 R N 1.465 121.843 120.500 -0.203 0.000 2.480 412 R HA 0.653 4.995 4.340 0.004 0.000 0.306 412 R C -1.525 174.628 176.300 -0.245 0.000 0.958 412 R CA -0.617 55.343 56.100 -0.234 0.000 0.861 412 R CB 0.931 31.112 30.300 -0.199 0.000 1.171 412 R HN 0.589 nan 8.270 nan 0.000 0.445 413 I N 5.388 125.696 120.570 -0.435 0.000 2.362 413 I HA 0.309 4.481 4.170 0.004 0.000 0.289 413 I C -0.908 174.957 176.117 -0.419 0.000 0.994 413 I CA -0.676 60.263 61.300 -0.601 0.000 1.158 413 I CB 1.200 38.300 38.000 -1.499 0.000 1.315 413 I HN 0.571 nan 8.210 nan 0.000 0.451 414 F N 6.645 126.383 119.950 -0.354 0.000 2.427 414 F HA 0.396 4.926 4.527 0.004 0.000 0.348 414 F C 0.752 176.445 175.800 -0.179 0.000 1.125 414 F CA -0.933 56.924 58.000 -0.238 0.000 0.989 414 F CB 0.729 39.637 39.000 -0.153 0.000 1.165 414 F HN 0.538 nan 8.300 nan 0.000 0.442 415 K N 4.700 124.695 120.400 -0.675 0.000 3.148 415 K HA -0.203 4.119 4.320 0.004 0.000 0.267 415 K C 0.914 177.366 176.600 -0.247 0.000 0.996 415 K CA 0.790 56.767 56.287 -0.517 0.000 0.737 415 K CB -1.616 30.486 32.500 -0.664 0.000 1.308 415 K HN 1.345 nan 8.250 nan 0.000 0.470 416 G N -0.588 108.079 108.800 -0.221 0.000 2.184 416 G HA2 -0.318 3.644 3.960 0.004 0.000 0.264 416 G HA3 -0.318 3.644 3.960 0.004 0.000 0.264 416 G C -0.182 174.745 174.900 0.045 0.000 0.975 416 G CA 0.537 45.604 45.100 -0.055 0.000 0.642 416 G HN 0.322 nan 8.290 nan 0.000 0.536 417 Q N -0.044 119.734 119.800 -0.038 0.000 2.307 417 Q HA 0.520 4.863 4.340 0.004 0.000 0.262 417 Q C 0.012 176.026 176.000 0.022 0.000 0.961 417 Q CA -0.799 55.031 55.803 0.045 0.000 0.882 417 Q CB 1.907 30.670 28.738 0.042 0.000 1.264 417 Q HN 0.336 nan 8.270 nan 0.000 0.446 418 K N 1.434 121.892 120.400 0.097 0.000 2.383 418 K HA 0.123 4.446 4.320 0.004 0.000 0.286 418 K C 0.599 177.211 176.600 0.020 0.000 1.051 418 K CA 0.126 56.452 56.287 0.066 0.000 0.974 418 K CB 0.341 32.928 32.500 0.145 0.000 0.968 418 K HN 0.476 nan 8.250 nan 0.000 0.475 419 V N -0.139 119.762 119.914 -0.022 0.000 3.250 419 V HA 0.268 4.390 4.120 0.004 0.000 0.240 419 V C 0.673 176.732 176.094 -0.057 0.000 1.275 419 V CA 0.251 62.533 62.300 -0.029 0.000 1.206 419 V CB 0.448 32.253 31.823 -0.030 0.000 0.976 419 V HN 0.519 nan 8.190 nan 0.000 0.467 420 S N 0.000 115.649 115.700 -0.085 0.000 2.498 420 S HA 0.000 4.472 4.470 0.004 0.000 0.327 420 S CA 0.000 58.137 58.200 -0.105 0.000 1.107 420 S CB 0.000 63.123 63.200 -0.128 0.000 0.593 420 S HN 0.000 nan 8.310 nan 0.000 0.517