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 2puz_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 0.042 0.000 1.274 17 A CA 0.000 52.053 52.037 0.026 0.000 0.836 17 A CB 0.000 19.016 19.000 0.027 0.000 0.831 18 T N -0.560 114.017 114.554 0.038 0.000 2.930 18 T HA 1.048 5.400 4.350 0.004 0.000 0.290 18 T C -0.166 174.559 174.700 0.041 0.000 1.052 18 T CA -0.318 61.815 62.100 0.054 0.000 1.017 18 T CB 1.866 70.756 68.868 0.037 0.000 1.137 18 T HN 2.490 nan 8.240 nan 0.000 0.511 19 A N 1.035 123.895 122.820 0.068 0.000 2.594 19 A HA 0.690 5.012 4.320 0.004 0.000 0.296 19 A C -1.840 175.748 177.584 0.005 0.000 1.056 19 A CA -0.899 51.113 52.037 -0.042 0.000 0.693 19 A CB 1.050 19.998 19.000 -0.087 0.000 1.278 19 A HN 0.879 nan 8.150 nan 0.000 0.408 20 L N 1.286 122.396 121.223 -0.187 0.000 2.362 20 L HA 0.608 4.951 4.340 0.004 0.000 0.271 20 L C -1.076 175.672 176.870 -0.205 0.000 1.002 20 L CA -0.458 54.363 54.840 -0.032 0.000 0.818 20 L CB 1.955 44.002 42.059 -0.020 0.000 1.298 20 L HN 0.756 nan 8.230 nan 0.000 0.420 21 W N 3.804 125.127 121.300 0.038 0.000 2.393 21 W HA 0.485 5.147 4.660 0.004 0.000 0.315 21 W C -0.240 176.273 176.519 -0.010 0.000 1.009 21 W CA -0.611 56.747 57.345 0.021 0.000 1.313 21 W CB 1.933 31.387 29.460 -0.011 0.000 1.269 21 W HN 0.458 nan 8.180 nan 0.000 0.420 22 R N 1.190 121.753 120.500 0.106 0.000 2.797 22 R HA 0.256 4.598 4.340 0.004 0.000 0.251 22 R C 0.579 176.906 176.300 0.044 0.000 1.107 22 R CA -1.005 55.131 56.100 0.061 0.000 1.084 22 R CB 1.007 31.318 30.300 0.018 0.000 1.205 22 R HN 0.478 nan 8.270 nan 0.000 0.515 23 N N -0.246 118.461 118.700 0.012 0.000 2.641 23 N HA -0.238 4.505 4.740 0.004 0.000 0.267 23 N C -1.749 173.742 175.510 -0.033 0.000 1.087 23 N CA 0.226 53.267 53.050 -0.015 0.000 0.731 23 N CB -0.281 38.200 38.487 -0.010 0.000 0.886 23 N HN 0.635 nan 8.380 nan 0.000 0.547 24 A N 1.800 124.578 122.820 -0.070 0.000 2.593 24 A HA 0.611 4.933 4.320 0.004 0.000 0.290 24 A C -1.233 176.194 177.584 -0.261 0.000 1.126 24 A CA -0.700 51.258 52.037 -0.131 0.000 0.695 24 A CB 1.593 20.558 19.000 -0.059 0.000 1.290 24 A HN 0.389 nan 8.150 nan 0.000 0.414 25 Q N 0.512 120.029 119.800 -0.472 0.000 2.316 25 Q HA 0.653 4.995 4.340 0.004 0.000 0.264 25 Q C -1.353 174.322 176.000 -0.543 0.000 0.987 25 Q CA -0.430 54.892 55.803 -0.802 0.000 0.852 25 Q CB 2.163 29.802 28.738 -1.832 0.000 1.287 25 Q HN 0.601 nan 8.270 nan 0.000 0.448 26 L N 0.970 122.016 121.223 -0.295 0.000 2.334 26 L HA 0.746 5.089 4.340 0.004 0.000 0.276 26 L C -0.363 176.636 176.870 0.216 0.000 1.014 26 L CA -1.019 53.813 54.840 -0.014 0.000 0.815 26 L CB 1.767 43.778 42.059 -0.079 0.000 1.268 26 L HN 0.656 nan 8.230 nan 0.000 0.428 27 A N 0.388 123.391 122.820 0.305 0.000 2.644 27 A HA 0.405 4.728 4.320 0.004 0.000 0.343 27 A C 0.837 178.499 177.584 0.129 0.000 1.324 27 A CA -0.253 51.944 52.037 0.268 0.000 0.846 27 A CB 0.265 19.413 19.000 0.247 0.000 1.128 27 A HN 0.860 nan 8.150 nan 0.000 0.484 28 T N -0.161 114.434 114.554 0.069 0.000 2.951 28 T HA -0.022 4.331 4.350 0.004 0.000 0.268 28 T C 0.952 175.667 174.700 0.024 0.000 1.073 28 T CA 1.183 63.294 62.100 0.018 0.000 1.134 28 T CB -0.720 68.132 68.868 -0.026 0.000 0.884 28 T HN 1.027 nan 8.240 nan 0.000 0.479 29 L N 0.750 121.993 121.223 0.033 0.000 4.001 29 L HA -0.155 4.187 4.340 0.004 0.000 0.413 29 L C 0.326 177.204 176.870 0.013 0.000 1.185 29 L CA 0.393 55.248 54.840 0.024 0.000 0.963 29 L CB -2.257 39.820 42.059 0.031 0.000 1.976 29 L HN 0.485 nan 8.230 nan 0.000 0.939 30 N N 1.523 120.226 118.700 0.005 0.000 2.438 30 N HA 0.071 4.813 4.740 0.004 0.000 0.267 30 N C -0.925 174.586 175.510 0.001 0.000 1.222 30 N CA -1.061 51.987 53.050 -0.003 0.000 0.930 30 N CB 0.999 39.477 38.487 -0.015 0.000 1.083 30 N HN 0.075 nan 8.380 nan 0.000 0.476 31 P HA -0.114 nan 4.420 nan 0.000 0.223 31 P C 0.571 177.872 177.300 0.003 0.000 1.144 31 P CA 0.859 63.961 63.100 0.003 0.000 0.783 31 P CB 0.162 31.864 31.700 0.003 0.000 0.771 32 A N -1.304 121.516 122.820 0.001 0.000 2.206 32 A HA 0.113 4.435 4.320 0.004 0.000 0.211 32 A C 1.409 178.995 177.584 0.003 0.000 1.158 32 A CA 0.410 52.448 52.037 0.002 0.000 0.761 32 A CB -0.683 18.318 19.000 0.001 0.000 0.801 32 A HN 0.186 nan 8.150 nan 0.000 0.473 33 M N 0.236 119.838 119.600 0.003 0.000 2.598 33 M HA 0.285 4.767 4.480 0.004 0.000 0.317 33 M C -0.879 175.425 176.300 0.007 0.000 1.201 33 M CA -0.858 54.445 55.300 0.006 0.000 0.971 33 M CB 1.075 33.679 32.600 0.006 0.000 1.657 33 M HN 0.084 nan 8.290 nan 0.000 0.470 34 D N 0.872 121.278 120.400 0.009 0.000 2.357 34 D HA 0.328 4.970 4.640 0.004 0.000 0.242 34 D C 0.856 177.162 176.300 0.010 0.000 1.153 34 D CA 0.849 54.854 54.000 0.008 0.000 0.918 34 D CB 0.708 41.514 40.800 0.009 0.000 1.181 34 D HN 0.813 nan 8.370 nan 0.000 0.435 35 G N 1.216 110.019 108.800 0.005 0.000 2.651 35 G HA2 -0.315 3.647 3.960 0.004 0.000 0.315 35 G HA3 -0.315 3.647 3.960 0.004 0.000 0.315 35 G C 0.870 175.772 174.900 0.003 0.000 1.258 35 G CA 0.653 45.753 45.100 0.001 0.000 1.002 35 G HN 0.707 nan 8.290 nan 0.000 0.551 36 I N -0.611 119.963 120.570 0.007 0.000 3.891 36 I HA 0.536 4.708 4.170 0.004 0.000 0.331 36 I C 1.389 177.529 176.117 0.038 0.000 1.406 36 I CA 0.557 61.865 61.300 0.013 0.000 1.139 36 I CB -0.334 37.662 38.000 -0.005 0.000 1.056 36 I HN 2.011 nan 8.210 nan 0.000 0.399 37 G N 2.195 111.017 108.800 0.036 0.000 2.350 37 G HA2 -0.196 3.766 3.960 0.004 0.000 0.298 37 G HA3 -0.196 3.766 3.960 0.004 0.000 0.298 37 G C 0.348 175.289 174.900 0.069 0.000 1.037 37 G CA 0.180 45.303 45.100 0.038 0.000 1.074 37 G HN 0.948 nan 8.290 nan 0.000 0.511 38 A N -0.675 122.210 122.820 0.108 0.000 2.425 38 A HA 0.693 5.015 4.320 0.004 0.000 0.249 38 A C 0.378 178.020 177.584 0.096 0.000 1.084 38 A CA 0.283 52.434 52.037 0.190 0.000 0.781 38 A CB 1.176 20.353 19.000 0.295 0.000 1.019 38 A HN 1.379 nan 8.150 nan 0.000 0.490 39 V N 2.765 122.703 119.914 0.039 0.000 2.524 39 V HA 0.310 4.432 4.120 0.004 0.000 0.297 39 V C -0.203 175.818 176.094 -0.122 0.000 1.035 39 V CA -0.631 61.648 62.300 -0.035 0.000 0.867 39 V CB 1.460 33.251 31.823 -0.054 0.000 1.004 39 V HN 1.058 nan 8.190 nan 0.000 0.426 40 E N 3.763 123.904 120.200 -0.099 0.000 2.349 40 E HA 0.319 4.672 4.350 0.004 0.000 0.265 40 E C 0.217 176.750 176.600 -0.112 0.000 1.064 40 E CA -0.012 56.303 56.400 -0.143 0.000 0.886 40 E CB 0.394 30.046 29.700 -0.079 0.000 1.036 40 E HN 0.655 nan 8.360 nan 0.000 0.413 41 N N 0.888 119.509 118.700 -0.131 0.000 2.629 41 N HA -0.223 4.520 4.740 0.004 0.000 0.278 41 N C -1.390 174.089 175.510 -0.051 0.000 1.102 41 N CA 0.919 53.920 53.050 -0.082 0.000 0.759 41 N CB -0.952 37.507 38.487 -0.046 0.000 0.911 41 N HN 0.531 nan 8.380 nan 0.000 0.553 42 A N -0.328 122.449 122.820 -0.072 0.000 2.312 42 A HA 0.912 5.234 4.320 0.004 0.000 0.310 42 A C -0.281 177.305 177.584 0.004 0.000 1.139 42 A CA -0.503 51.516 52.037 -0.031 0.000 0.886 42 A CB 1.975 20.922 19.000 -0.088 0.000 1.350 42 A HN 0.511 nan 8.150 nan 0.000 0.479 43 V N -0.277 119.671 119.914 0.056 0.000 3.087 43 V HA 0.656 4.779 4.120 0.004 0.000 0.306 43 V C -1.693 174.455 176.094 0.090 0.000 1.187 43 V CA -0.634 61.729 62.300 0.105 0.000 0.999 43 V CB 1.943 33.867 31.823 0.168 0.000 1.049 43 V HN 0.746 nan 8.190 nan 0.000 0.431 44 I N 4.605 125.243 120.570 0.114 0.000 2.418 44 I HA 0.707 4.879 4.170 0.004 0.000 0.287 44 I C 0.077 176.346 176.117 0.254 0.000 1.008 44 I CA -0.700 60.634 61.300 0.056 0.000 1.104 44 I CB 1.879 39.736 38.000 -0.238 0.000 1.264 44 I HN 0.781 nan 8.210 nan 0.000 0.438 45 A N 6.895 129.866 122.820 0.252 0.000 2.260 45 A HA 0.728 5.050 4.320 0.004 0.000 0.314 45 A C -0.644 177.090 177.584 0.249 0.000 1.257 45 A CA -0.427 51.769 52.037 0.266 0.000 0.871 45 A CB 0.924 20.079 19.000 0.258 0.000 1.166 45 A HN 0.449 nan 8.150 nan 0.000 0.522 46 V N 2.898 122.995 119.914 0.304 0.000 2.459 46 V HA 0.688 4.810 4.120 0.004 0.000 0.295 46 V C 0.041 176.245 176.094 0.182 0.000 1.029 46 V CA -0.570 61.892 62.300 0.270 0.000 0.874 46 V CB 1.633 33.707 31.823 0.418 0.000 0.985 46 V HN 0.968 nan 8.190 nan 0.000 0.438 47 R N 4.170 124.745 120.500 0.125 0.000 2.514 47 R HA 0.456 4.798 4.340 0.004 0.000 0.296 47 R C -0.085 176.249 176.300 0.057 0.000 1.012 47 R CA -0.258 55.892 56.100 0.083 0.000 0.897 47 R CB 0.544 30.885 30.300 0.068 0.000 1.184 47 R HN 0.701 nan 8.270 nan 0.000 0.440 48 N N 3.544 122.272 118.700 0.046 0.000 2.725 48 N HA -0.200 4.542 4.740 0.004 0.000 0.251 48 N C 0.357 175.871 175.510 0.007 0.000 1.031 48 N CA 1.609 54.673 53.050 0.023 0.000 0.720 48 N CB -1.029 37.466 38.487 0.014 0.000 0.930 48 N HN 1.152 nan 8.380 nan 0.000 0.543 49 G N -1.035 107.773 108.800 0.014 0.000 2.166 49 G HA2 -0.372 3.590 3.960 0.004 0.000 0.260 49 G HA3 -0.372 3.590 3.960 0.004 0.000 0.260 49 G C 0.184 175.062 174.900 -0.036 0.000 0.986 49 G CA 0.905 45.986 45.100 -0.032 0.000 0.683 49 G HN 0.541 nan 8.290 nan 0.000 0.527 50 R N -0.686 119.821 120.500 0.011 0.000 2.832 50 R HA 0.603 4.945 4.340 0.004 0.000 0.271 50 R C 0.233 176.567 176.300 0.056 0.000 0.996 50 R CA -1.114 54.995 56.100 0.016 0.000 0.977 50 R CB 1.211 31.520 30.300 0.015 0.000 1.168 50 R HN 0.198 nan 8.270 nan 0.000 0.482 51 I N 2.012 122.611 120.570 0.048 0.000 2.322 51 I HA 0.056 4.228 4.170 0.004 0.000 0.292 51 I C 1.233 177.390 176.117 0.067 0.000 1.060 51 I CA 0.115 61.451 61.300 0.060 0.000 1.309 51 I CB 1.445 39.459 38.000 0.022 0.000 1.415 51 I HN 0.731 nan 8.210 nan 0.000 0.492 52 A N 7.085 129.969 122.820 0.108 0.000 1.911 52 A HA 0.137 4.459 4.320 0.004 0.000 0.212 52 A C 0.379 178.086 177.584 0.205 0.000 1.189 52 A CA 0.855 52.971 52.037 0.131 0.000 0.639 52 A CB 0.300 19.380 19.000 0.134 0.000 0.839 52 A HN 0.592 nan 8.150 nan 0.000 0.449 53 F N -1.773 118.194 119.950 0.027 0.000 2.608 53 F HA 0.603 5.133 4.527 0.004 0.000 0.309 53 F C -1.064 174.736 175.800 -0.000 0.000 1.103 53 F CA -0.671 57.337 58.000 0.013 0.000 0.954 53 F CB 1.660 40.669 39.000 0.015 0.000 1.267 53 F HN 0.145 nan 8.300 nan 0.000 0.444 54 A N 3.778 125.984 122.820 -1.023 0.000 2.530 54 A HA 0.826 5.148 4.320 0.004 0.000 0.279 54 A C -0.499 176.512 177.584 -0.955 0.000 1.109 54 A CA 0.190 51.790 52.037 -0.728 0.000 0.763 54 A CB 0.685 19.461 19.000 -0.373 0.000 1.257 54 A HN 1.898 nan 8.150 nan 0.000 0.424 55 G N 1.539 109.898 108.800 -0.735 0.000 2.344 55 G HA2 0.521 4.483 3.960 0.004 0.000 0.282 55 G HA3 0.521 4.483 3.960 0.004 0.000 0.282 55 G C -3.496 171.418 174.900 0.023 0.000 1.281 55 G CA -0.592 44.293 45.100 -0.358 0.000 0.877 55 G HN 0.429 nan 8.290 nan 0.000 0.494 56 P HA 0.168 nan 4.420 nan 0.000 0.262 56 P C 0.556 177.988 177.300 0.221 0.000 1.182 56 P CA 0.433 63.615 63.100 0.136 0.000 0.761 56 P CB 0.475 32.242 31.700 0.111 0.000 0.795 57 E N 1.374 121.648 120.200 0.123 0.000 2.333 57 E HA -0.150 4.202 4.350 0.004 0.000 0.198 57 E C 1.555 178.176 176.600 0.034 0.000 1.007 57 E CA 1.404 57.862 56.400 0.096 0.000 0.845 57 E CB -0.166 29.561 29.700 0.046 0.000 0.766 57 E HN 0.538 nan 8.360 nan 0.000 0.507 58 S N 0.766 116.485 115.700 0.032 0.000 2.436 58 S HA -0.077 4.395 4.470 0.004 0.000 0.228 58 S C 1.272 175.855 174.600 -0.029 0.000 1.014 58 S CA 0.667 58.864 58.200 -0.003 0.000 0.950 58 S CB 0.109 63.313 63.200 0.006 0.000 0.784 58 S HN 0.025 nan 8.310 nan 0.000 0.504 59 D N 1.065 121.469 120.400 0.006 0.000 2.340 59 D HA 0.225 4.867 4.640 0.004 0.000 0.220 59 D C 0.210 176.272 176.300 -0.398 0.000 1.039 59 D CA -0.088 53.887 54.000 -0.041 0.000 0.866 59 D CB -0.273 40.634 40.800 0.179 0.000 0.913 59 D HN 0.364 nan 8.370 nan 0.000 0.523 60 L N 1.894 122.818 121.223 -0.497 0.000 2.534 60 L HA 0.197 4.540 4.340 0.004 0.000 0.271 60 L C -2.300 174.275 176.870 -0.492 0.000 1.178 60 L CA -1.078 53.271 54.840 -0.818 0.000 0.907 60 L CB 0.229 42.068 42.059 -0.366 0.000 1.164 60 L HN -0.220 nan 8.230 nan 0.000 0.482 61 P HA 0.103 nan 4.420 nan 0.000 0.271 61 P C -0.048 177.153 177.300 -0.166 0.000 1.216 61 P CA -0.203 62.744 63.100 -0.255 0.000 0.771 61 P CB 0.548 32.124 31.700 -0.207 0.000 0.864 62 D N 2.147 122.480 120.400 -0.113 0.000 2.149 62 D HA -0.206 4.437 4.640 0.004 0.000 0.194 62 D C 1.023 177.286 176.300 -0.062 0.000 1.001 62 D CA 1.443 55.396 54.000 -0.078 0.000 0.849 62 D CB -0.389 40.377 40.800 -0.057 0.000 0.939 62 D HN 0.584 nan 8.370 nan 0.000 0.449 63 D N 0.350 120.716 120.400 -0.056 0.000 2.392 63 D HA -0.119 4.523 4.640 0.004 0.000 0.228 63 D C 1.733 178.014 176.300 -0.032 0.000 1.003 63 D CA 0.360 54.338 54.000 -0.036 0.000 0.917 63 D CB -0.063 40.721 40.800 -0.027 0.000 0.890 63 D HN 0.326 nan 8.370 nan 0.000 0.532 64 L N -0.380 120.813 121.223 -0.050 0.000 3.039 64 L HA 0.091 4.433 4.340 0.004 0.000 0.269 64 L C 1.927 178.774 176.870 -0.038 0.000 1.169 64 L CA -0.101 54.720 54.840 -0.033 0.000 0.986 64 L CB 0.380 42.416 42.059 -0.038 0.000 1.377 64 L HN -0.185 nan 8.230 nan 0.000 0.575 65 S N -0.370 115.296 115.700 -0.056 0.000 2.440 65 S HA -0.131 4.342 4.470 0.004 0.000 0.240 65 S C 1.015 175.596 174.600 -0.032 0.000 1.014 65 S CA 1.500 59.670 58.200 -0.050 0.000 0.980 65 S CB -0.160 63.009 63.200 -0.052 0.000 0.775 65 S HN 0.480 nan 8.310 nan 0.000 0.499 66 T N -0.342 114.197 114.554 -0.026 0.000 2.916 66 T HA 0.756 5.109 4.350 0.004 0.000 0.292 66 T C -1.224 173.467 174.700 -0.015 0.000 1.064 66 T CA -0.060 62.027 62.100 -0.023 0.000 1.011 66 T CB 1.781 70.635 68.868 -0.023 0.000 1.152 66 T HN 0.201 nan 8.240 nan 0.000 0.510 67 A N 1.696 124.503 122.820 -0.022 0.000 2.540 67 A HA 0.574 4.896 4.320 0.004 0.000 0.291 67 A C 0.117 177.681 177.584 -0.033 0.000 1.083 67 A CA -0.457 51.569 52.037 -0.018 0.000 0.650 67 A CB 0.382 19.374 19.000 -0.013 0.000 1.292 67 A HN 0.709 nan 8.150 nan 0.000 0.435 68 D N 0.459 120.841 120.400 -0.029 0.000 2.117 68 D HA -0.012 4.630 4.640 0.004 0.000 0.198 68 D C 0.258 176.522 176.300 -0.061 0.000 0.982 68 D CA 1.601 55.579 54.000 -0.036 0.000 0.828 68 D CB 0.221 41.006 40.800 -0.024 0.000 0.967 68 D HN 0.651 nan 8.370 nan 0.000 0.464 69 E N -0.457 119.687 120.200 -0.093 0.000 2.299 69 E HA 0.573 4.926 4.350 0.004 0.000 0.265 69 E C -0.762 175.713 176.600 -0.209 0.000 0.911 69 E CA -0.622 55.689 56.400 -0.148 0.000 0.789 69 E CB 2.285 31.875 29.700 -0.183 0.000 1.246 69 E HN -0.202 nan 8.360 nan 0.000 0.427 70 T N 0.895 115.312 114.554 -0.229 0.000 3.032 70 T HA 0.374 4.727 4.350 0.004 0.000 0.312 70 T C -0.883 173.651 174.700 -0.277 0.000 1.078 70 T CA -0.664 61.287 62.100 -0.249 0.000 1.028 70 T CB 1.765 70.551 68.868 -0.138 0.000 1.091 70 T HN 0.283 nan 8.240 nan 0.000 0.457 71 T N 2.567 116.894 114.554 -0.379 0.000 2.812 71 T HA 0.375 4.727 4.350 0.004 0.000 0.282 71 T C -0.926 173.709 174.700 -0.108 0.000 0.990 71 T CA -0.655 61.277 62.100 -0.280 0.000 0.960 71 T CB 1.418 70.003 68.868 -0.473 0.000 0.948 71 T HN 0.587 nan 8.240 nan 0.000 0.438 72 D N 1.964 122.345 120.400 -0.030 0.000 2.313 72 D HA 0.134 4.777 4.640 0.004 0.000 0.239 72 D C 0.552 176.888 176.300 0.061 0.000 1.142 72 D CA -0.599 53.407 54.000 0.011 0.000 0.847 72 D CB 0.911 41.712 40.800 0.002 0.000 1.082 72 D HN 0.536 nan 8.370 nan 0.000 0.480 73 C N 2.821 122.174 119.300 0.089 0.000 2.576 73 C HA 0.259 4.721 4.460 0.004 0.000 0.267 73 C C 1.708 176.712 174.990 0.023 0.000 1.364 73 C CA 0.157 59.243 59.018 0.114 0.000 1.723 73 C CB -1.271 26.563 27.740 0.157 0.000 1.778 73 C HN 0.899 nan 8.230 nan 0.000 0.572 74 G N 0.559 109.364 108.800 0.008 0.000 2.283 74 G HA2 0.007 3.970 3.960 0.004 0.000 0.280 74 G HA3 0.007 3.970 3.960 0.004 0.000 0.280 74 G C 0.988 175.874 174.900 -0.024 0.000 1.029 74 G CA 0.601 45.692 45.100 -0.015 0.000 0.840 74 G HN 1.507 nan 8.290 nan 0.000 0.505 75 G N -1.754 107.026 108.800 -0.032 0.000 2.184 75 G HA2 -0.311 3.652 3.960 0.004 0.000 0.264 75 G HA3 -0.311 3.652 3.960 0.004 0.000 0.264 75 G C 0.621 175.479 174.900 -0.071 0.000 0.975 75 G CA 1.126 46.188 45.100 -0.064 0.000 0.642 75 G HN 0.996 nan 8.290 nan 0.000 0.536 76 R N -1.347 119.141 120.500 -0.020 0.000 2.774 76 R HA 0.376 4.718 4.340 0.004 0.000 0.269 76 R C 0.097 176.440 176.300 0.071 0.000 1.068 76 R CA -0.214 55.927 56.100 0.068 0.000 1.180 76 R CB 0.340 30.674 30.300 0.057 0.000 1.077 76 R HN 0.276 nan 8.270 nan 0.000 0.513 77 W N 1.479 122.867 121.300 0.147 0.000 2.313 77 W HA 0.387 5.050 4.660 0.004 0.000 0.328 77 W C -0.111 176.553 176.519 0.241 0.000 1.197 77 W CA -0.064 57.382 57.345 0.169 0.000 1.235 77 W CB 0.690 30.254 29.460 0.174 0.000 1.158 77 W HN 0.251 nan 8.180 nan 0.000 0.578 78 I N 2.941 123.771 120.570 0.433 0.000 2.545 78 I HA 0.434 4.606 4.170 0.004 0.000 0.292 78 I C -0.001 176.333 176.117 0.361 0.000 1.040 78 I CA -0.795 60.689 61.300 0.308 0.000 1.068 78 I CB 2.003 40.007 38.000 0.006 0.000 1.251 78 I HN 0.364 nan 8.210 nan 0.000 0.424 79 T N 2.810 117.610 114.554 0.409 0.000 2.901 79 T HA 0.615 4.967 4.350 0.004 0.000 0.293 79 T C -2.945 171.927 174.700 0.286 0.000 1.084 79 T CA -2.264 60.045 62.100 0.348 0.000 1.008 79 T CB 2.147 71.272 68.868 0.429 0.000 1.170 79 T HN 0.212 nan 8.240 nan 0.000 0.509 80 P HA 0.339 nan 4.420 nan 0.000 0.272 80 P C -0.044 177.380 177.300 0.206 0.000 1.230 80 P CA -0.248 62.963 63.100 0.185 0.000 0.788 80 P CB 0.143 31.916 31.700 0.122 0.000 0.949 81 A N 3.011 125.928 122.820 0.162 0.000 2.507 81 A HA 0.173 4.495 4.320 0.004 0.000 0.235 81 A C 0.672 178.342 177.584 0.144 0.000 1.070 81 A CA -0.140 51.974 52.037 0.129 0.000 0.768 81 A CB -0.618 18.429 19.000 0.078 0.000 1.011 81 A HN 0.502 nan 8.150 nan 0.000 0.502 82 L N 1.033 122.350 121.223 0.158 0.000 2.453 82 L HA 0.407 4.749 4.340 0.004 0.000 0.261 82 L C -0.146 176.776 176.870 0.087 0.000 1.179 82 L CA 0.044 54.967 54.840 0.138 0.000 0.813 82 L CB 0.354 42.515 42.059 0.169 0.000 1.110 82 L HN 0.537 nan 8.230 nan 0.000 0.466 83 I N 1.034 121.646 120.570 0.070 0.000 2.499 83 I HA 0.210 4.383 4.170 0.004 0.000 0.288 83 I C -0.982 175.161 176.117 0.044 0.000 1.048 83 I CA -0.444 60.887 61.300 0.052 0.000 1.062 83 I CB 2.296 40.325 38.000 0.049 0.000 1.238 83 I HN 0.466 nan 8.210 nan 0.000 0.426 84 D N 5.506 125.929 120.400 0.038 0.000 2.473 84 D HA 0.216 4.859 4.640 0.004 0.000 0.226 84 D C 0.713 177.037 176.300 0.040 0.000 1.089 84 D CA -0.506 53.520 54.000 0.043 0.000 0.883 84 D CB 1.148 41.975 40.800 0.045 0.000 1.029 84 D HN 0.691 nan 8.370 nan 0.000 0.517 85 C N 2.697 122.023 119.300 0.045 0.000 2.613 85 C HA 0.339 4.802 4.460 0.004 0.000 0.273 85 C C 0.736 175.758 174.990 0.054 0.000 1.304 85 C CA -0.614 58.425 59.018 0.035 0.000 1.702 85 C CB -1.889 25.868 27.740 0.028 0.000 1.792 85 C HN 0.658 nan 8.230 nan 0.000 0.588 86 H N 0.623 119.664 119.070 -0.048 0.000 3.198 86 H HA 0.474 5.032 4.556 0.004 0.000 0.317 86 H C -0.526 174.784 175.328 -0.029 0.000 1.178 86 H CA 0.656 56.656 56.048 -0.081 0.000 1.609 86 H CB 0.731 30.420 29.762 -0.122 0.000 1.819 86 H HN 0.463 nan 8.280 nan 0.000 0.533 87 T N 1.236 115.796 114.554 0.010 0.000 2.883 87 T HA 0.290 4.643 4.350 0.004 0.000 0.301 87 T C -0.623 174.057 174.700 -0.033 0.000 1.158 87 T CA -0.866 61.316 62.100 0.135 0.000 1.007 87 T CB 1.791 70.738 68.868 0.132 0.000 1.186 87 T HN 0.718 nan 8.240 nan 0.000 0.499 88 H N 2.180 121.368 119.070 0.196 0.000 2.587 88 H HA 0.285 4.843 4.556 0.004 0.000 0.245 88 H C 1.242 176.826 175.328 0.426 0.000 1.238 88 H CA -0.248 55.949 56.048 0.249 0.000 0.963 88 H CB 0.754 30.699 29.762 0.304 0.000 1.904 88 H HN 0.515 nan 8.280 nan 0.000 0.584 89 L N 0.729 122.171 121.223 0.365 0.000 2.189 89 L HA -0.090 4.253 4.340 0.004 0.000 0.214 89 L C 0.200 177.183 176.870 0.187 0.000 1.097 89 L CA 0.988 56.003 54.840 0.292 0.000 0.764 89 L CB 0.285 42.422 42.059 0.131 0.000 0.900 89 L HN 0.017 nan 8.230 nan 0.000 0.436 90 V N 1.228 121.285 119.914 0.238 0.000 2.406 90 V HA 0.352 4.474 4.120 0.004 0.000 0.272 90 V C -0.477 175.831 176.094 0.358 0.000 1.043 90 V CA -0.312 62.066 62.300 0.129 0.000 0.915 90 V CB 0.575 32.466 31.823 0.113 0.000 0.988 90 V HN 0.310 nan 8.190 nan 0.000 0.466 91 F N 2.325 122.350 119.950 0.125 0.000 2.765 91 F HA 0.723 5.252 4.527 0.004 0.000 0.313 91 F C -0.090 175.710 175.800 -0.001 0.000 1.136 91 F CA -0.932 57.108 58.000 0.066 0.000 0.952 91 F CB 0.701 39.656 39.000 -0.075 0.000 1.268 91 F HN 0.608 nan 8.300 nan 0.000 0.441 92 G N 0.718 109.634 108.800 0.193 0.000 2.425 92 G HA2 0.641 4.603 3.960 0.004 0.000 0.302 92 G HA3 0.641 4.603 3.960 0.004 0.000 0.302 92 G C 0.262 175.270 174.900 0.180 0.000 1.159 92 G CA -0.126 45.033 45.100 0.098 0.000 0.865 92 G HN 2.065 nan 8.290 nan 0.000 0.515 93 G N 1.032 109.896 108.800 0.106 0.000 2.601 93 G HA2 0.086 4.048 3.960 0.004 0.000 0.261 93 G HA3 0.086 4.048 3.960 0.004 0.000 0.261 93 G C -0.042 174.985 174.900 0.212 0.000 1.289 93 G CA 0.579 45.746 45.100 0.112 0.000 0.920 93 G HN 2.063 nan 8.290 nan 0.000 0.571 94 N N -2.573 116.196 118.700 0.116 0.000 2.934 94 N HA 0.696 5.438 4.740 0.004 0.000 0.253 94 N C -0.151 175.356 175.510 -0.005 0.000 1.466 94 N CA -0.927 52.177 53.050 0.091 0.000 0.858 94 N CB 1.006 39.547 38.487 0.091 0.000 1.459 94 N HN 0.558 nan 8.380 nan 0.000 0.532 95 R N -0.175 120.302 120.500 -0.039 0.000 2.748 95 R HA 0.418 4.761 4.340 0.004 0.000 0.395 95 R C 0.217 176.530 176.300 0.021 0.000 1.128 95 R CA -0.086 55.996 56.100 -0.029 0.000 1.042 95 R CB 0.321 30.582 30.300 -0.066 0.000 1.392 95 R HN 0.733 nan 8.270 nan 0.000 0.582 96 A N 1.041 123.872 122.820 0.017 0.000 1.930 96 A HA -0.127 4.195 4.320 0.004 0.000 0.217 96 A C 2.125 179.785 177.584 0.126 0.000 1.175 96 A CA 0.887 52.951 52.037 0.045 0.000 0.627 96 A CB -0.181 18.823 19.000 0.006 0.000 0.815 96 A HN 0.344 nan 8.150 nan 0.000 0.443 97 M N 0.542 120.186 119.600 0.073 0.000 2.065 97 M HA -0.251 4.232 4.480 0.004 0.000 0.259 97 M C 2.210 178.552 176.300 0.070 0.000 1.071 97 M CA 2.604 57.941 55.300 0.061 0.000 1.109 97 M CB -0.459 32.156 32.600 0.026 0.000 1.313 97 M HN 0.677 nan 8.290 nan 0.000 0.408 98 E N -0.672 119.564 120.200 0.060 0.000 2.204 98 E HA -0.237 4.115 4.350 0.004 0.000 0.195 98 E C 1.914 178.557 176.600 0.071 0.000 0.990 98 E CA 1.358 57.783 56.400 0.042 0.000 0.821 98 E CB -1.015 28.699 29.700 0.024 0.000 0.750 98 E HN 0.644 nan 8.360 nan 0.000 0.477 99 F N 2.378 122.315 119.950 -0.021 0.000 2.075 99 F HA -0.161 4.368 4.527 0.003 0.000 0.297 99 F C 2.363 178.154 175.800 -0.016 0.000 1.113 99 F CA 2.130 60.120 58.000 -0.018 0.000 1.218 99 F CB -0.110 38.882 39.000 -0.013 0.000 0.984 99 F HN -0.015 nan 8.300 nan 0.000 0.472 100 E N -0.028 120.252 120.200 0.133 0.000 2.077 100 E HA -0.241 4.111 4.350 0.004 0.000 0.193 100 E C 2.282 178.840 176.600 -0.070 0.000 0.989 100 E CA 1.589 58.000 56.400 0.018 0.000 0.800 100 E CB -0.179 29.579 29.700 0.096 0.000 0.746 100 E HN 0.494 nan 8.360 nan 0.000 0.452 101 M N 0.008 119.585 119.600 -0.038 0.000 2.086 101 M HA -0.175 4.307 4.480 0.004 0.000 0.261 101 M C 2.428 178.679 176.300 -0.082 0.000 1.067 101 M CA 1.497 56.767 55.300 -0.050 0.000 1.116 101 M CB -0.228 32.353 32.600 -0.032 0.000 1.348 101 M HN 0.049 nan 8.290 nan 0.000 0.407 102 R N 0.438 120.871 120.500 -0.113 0.000 2.083 102 R HA -0.117 4.226 4.340 0.004 0.000 0.237 102 R C 2.110 178.313 176.300 -0.161 0.000 1.137 102 R CA 1.342 57.366 56.100 -0.127 0.000 0.951 102 R CB -0.777 29.434 30.300 -0.148 0.000 0.851 102 R HN 0.397 nan 8.270 nan 0.000 0.434 103 L N 1.040 122.116 121.223 -0.246 0.000 2.265 103 L HA -0.155 4.187 4.340 0.004 0.000 0.215 103 L C 1.519 178.310 176.870 -0.131 0.000 1.117 103 L CA 0.830 55.536 54.840 -0.223 0.000 0.782 103 L CB -0.362 41.513 42.059 -0.306 0.000 0.914 103 L HN 0.189 nan 8.230 nan 0.000 0.441 104 N N 0.113 118.750 118.700 -0.105 0.000 2.398 104 N HA 0.032 4.774 4.740 0.004 0.000 0.188 104 N C 1.262 176.739 175.510 -0.056 0.000 1.122 104 N CA 0.967 53.977 53.050 -0.067 0.000 0.866 104 N CB 0.765 39.222 38.487 -0.050 0.000 0.970 104 N HN 0.391 nan 8.380 nan 0.000 0.462 105 G N -0.077 108.685 108.800 -0.063 0.000 2.131 105 G HA2 -0.225 3.737 3.960 0.004 0.000 0.223 105 G HA3 -0.225 3.737 3.960 0.004 0.000 0.223 105 G C 0.185 175.062 174.900 -0.039 0.000 0.990 105 G CA 0.089 45.160 45.100 -0.048 0.000 0.671 105 G HN 0.550 nan 8.290 nan 0.000 0.521 106 A N 0.574 123.368 122.820 -0.042 0.000 2.440 106 A HA 0.726 5.048 4.320 0.004 0.000 0.251 106 A C 1.078 178.650 177.584 -0.020 0.000 1.089 106 A CA 1.067 53.084 52.037 -0.034 0.000 0.779 106 A CB 0.255 19.231 19.000 -0.040 0.000 1.022 106 A HN 1.794 nan 8.150 nan 0.000 0.492 107 T N -0.283 114.265 114.554 -0.011 0.000 2.847 107 T HA 0.255 4.608 4.350 0.004 0.000 0.279 107 T C 0.912 175.634 174.700 0.037 0.000 0.984 107 T CA 0.152 62.265 62.100 0.020 0.000 0.988 107 T CB 0.271 69.152 68.868 0.021 0.000 1.040 107 T HN 0.604 nan 8.240 nan 0.000 0.528 108 Y N 0.480 120.758 120.300 -0.036 0.000 2.165 108 Y HA -0.123 4.430 4.550 0.004 0.000 0.286 108 Y C 2.598 178.479 175.900 -0.031 0.000 1.155 108 Y CA 2.200 60.279 58.100 -0.035 0.000 1.164 108 Y CB -0.265 38.174 38.460 -0.036 0.000 0.978 108 Y HN 0.844 nan 8.280 nan 0.000 0.513 109 E N 0.413 120.575 120.200 -0.064 0.000 2.077 109 E HA -0.222 4.131 4.350 0.004 0.000 0.193 109 E C 1.922 178.434 176.600 -0.147 0.000 0.989 109 E CA 1.669 57.993 56.400 -0.126 0.000 0.800 109 E CB -0.039 29.649 29.700 -0.020 0.000 0.746 109 E HN 0.710 nan 8.360 nan 0.000 0.452 110 E N 0.094 120.235 120.200 -0.099 0.000 2.107 110 E HA -0.111 4.242 4.350 0.004 0.000 0.191 110 E C 2.258 178.793 176.600 -0.109 0.000 0.982 110 E CA 0.656 57.006 56.400 -0.084 0.000 0.809 110 E CB -0.010 29.659 29.700 -0.052 0.000 0.756 110 E HN 0.296 nan 8.360 nan 0.000 0.459 111 I N 1.124 121.610 120.570 -0.140 0.000 2.315 111 I HA -0.236 3.937 4.170 0.004 0.000 0.248 111 I C 2.510 178.513 176.117 -0.190 0.000 1.117 111 I CA 0.779 61.994 61.300 -0.142 0.000 1.404 111 I CB -0.221 37.703 38.000 -0.127 0.000 1.071 111 I HN 0.081 nan 8.210 nan 0.000 0.419 112 A N 0.739 123.376 122.820 -0.305 0.000 1.902 112 A HA -0.207 4.115 4.320 0.004 0.000 0.217 112 A C 2.285 179.771 177.584 -0.163 0.000 1.181 112 A CA 1.485 53.349 52.037 -0.289 0.000 0.623 112 A CB -0.411 18.341 19.000 -0.414 0.000 0.818 112 A HN 0.290 nan 8.150 nan 0.000 0.443 113 K N -0.403 119.916 120.400 -0.135 0.000 2.280 113 K HA -0.005 4.317 4.320 0.004 0.000 0.202 113 K C 1.793 178.352 176.600 -0.069 0.000 1.047 113 K CA 0.890 57.125 56.287 -0.086 0.000 0.942 113 K CB -0.201 32.257 32.500 -0.070 0.000 0.739 113 K HN 0.448 nan 8.250 nan 0.000 0.457 114 A N 0.142 122.917 122.820 -0.075 0.000 2.251 114 A HA 0.196 4.518 4.320 0.004 0.000 0.209 114 A C 1.304 178.858 177.584 -0.050 0.000 1.187 114 A CA 0.816 52.820 52.037 -0.054 0.000 0.823 114 A CB -0.094 18.877 19.000 -0.049 0.000 0.846 114 A HN 0.389 nan 8.150 nan 0.000 0.486 115 G N -1.965 106.797 108.800 -0.065 0.000 2.159 115 G HA2 -0.016 3.946 3.960 0.004 0.000 0.227 115 G HA3 -0.016 3.946 3.960 0.004 0.000 0.227 115 G C 0.716 175.580 174.900 -0.060 0.000 0.986 115 G CA 0.191 45.258 45.100 -0.055 0.000 0.651 115 G HN 1.296 nan 8.290 nan 0.000 0.523 116 G N -0.634 108.118 108.800 -0.080 0.000 2.616 116 G HA2 0.776 4.738 3.960 0.004 0.000 0.268 116 G HA3 0.776 4.738 3.960 0.004 0.000 0.268 116 G C 0.866 175.718 174.900 -0.080 0.000 1.213 116 G CA 1.038 46.094 45.100 -0.073 0.000 0.926 116 G HN 2.013 nan 8.290 nan 0.000 0.523 117 G N -1.262 107.514 108.800 -0.040 0.000 2.612 117 G HA2 -0.087 3.875 3.960 0.004 0.000 0.686 117 G HA3 -0.087 3.875 3.960 0.004 0.000 0.686 117 G C 0.837 175.729 174.900 -0.014 0.000 1.274 117 G CA 0.012 45.112 45.100 0.000 0.000 0.849 117 G HN 1.298 nan 8.290 nan 0.000 0.595 118 I N 0.133 120.704 120.570 0.003 0.000 2.399 118 I HA -0.142 4.030 4.170 0.004 0.000 0.254 118 I C 2.583 178.695 176.117 -0.009 0.000 1.146 118 I CA 2.223 63.515 61.300 -0.013 0.000 1.412 118 I CB -0.117 37.880 38.000 -0.006 0.000 1.076 118 I HN 0.737 nan 8.210 nan 0.000 0.432 119 V N -0.482 119.430 119.914 -0.005 0.000 2.568 119 V HA -0.290 3.832 4.120 0.004 0.000 0.253 119 V C 2.410 178.499 176.094 -0.010 0.000 1.072 119 V CA 2.401 64.701 62.300 0.001 0.000 1.084 119 V CB -0.223 31.596 31.823 -0.007 0.000 0.676 119 V HN 0.628 nan 8.190 nan 0.000 0.469 120 S N -0.714 114.967 115.700 -0.032 0.000 2.368 120 S HA -0.160 4.313 4.470 0.004 0.000 0.224 120 S C 2.143 176.712 174.600 -0.051 0.000 1.029 120 S CA 2.023 60.200 58.200 -0.038 0.000 0.988 120 S CB -0.283 62.889 63.200 -0.047 0.000 0.838 120 S HN 0.757 nan 8.310 nan 0.000 0.462 121 S N 0.548 116.182 115.700 -0.110 0.000 2.387 121 S HA -0.006 4.467 4.470 0.004 0.000 0.226 121 S C 1.877 176.438 174.600 -0.065 0.000 1.026 121 S CA 1.097 59.178 58.200 -0.198 0.000 0.972 121 S CB -0.310 62.548 63.200 -0.569 0.000 0.814 121 S HN 0.401 nan 8.310 nan 0.000 0.477 122 V N 1.956 121.885 119.914 0.026 0.000 2.307 122 V HA -0.156 3.966 4.120 0.004 0.000 0.245 122 V C 2.460 178.603 176.094 0.082 0.000 1.045 122 V CA 1.646 64.014 62.300 0.115 0.000 1.024 122 V CB -0.569 31.327 31.823 0.122 0.000 0.651 122 V HN 0.346 nan 8.190 nan 0.000 0.449 123 R N -0.050 120.479 120.500 0.047 0.000 2.083 123 R HA -0.169 4.173 4.340 0.004 0.000 0.237 123 R C 2.097 178.423 176.300 0.042 0.000 1.137 123 R CA 1.878 58.003 56.100 0.041 0.000 0.951 123 R CB -0.399 29.914 30.300 0.022 0.000 0.851 123 R HN 0.519 nan 8.270 nan 0.000 0.434 124 D N -0.733 119.687 120.400 0.034 0.000 2.178 124 D HA -0.080 4.563 4.640 0.004 0.000 0.202 124 D C 1.685 178.021 176.300 0.060 0.000 0.974 124 D CA 1.297 55.321 54.000 0.040 0.000 0.841 124 D CB -0.177 40.645 40.800 0.036 0.000 0.953 124 D HN 0.180 nan 8.370 nan 0.000 0.478 125 T N 0.496 115.099 114.554 0.082 0.000 2.904 125 T HA -0.019 4.334 4.350 0.004 0.000 0.267 125 T C 1.971 176.731 174.700 0.101 0.000 1.059 125 T CA 0.574 62.743 62.100 0.115 0.000 1.137 125 T CB 0.173 69.154 68.868 0.189 0.000 0.879 125 T HN 0.118 nan 8.240 nan 0.000 0.467 126 R N 0.986 121.542 120.500 0.094 0.000 2.090 126 R HA 0.136 4.478 4.340 0.004 0.000 0.228 126 R C 2.718 179.056 176.300 0.063 0.000 1.110 126 R CA 1.143 57.293 56.100 0.083 0.000 0.973 126 R CB -0.304 30.046 30.300 0.083 0.000 0.869 126 R HN 0.320 nan 8.270 nan 0.000 0.440 127 A N 1.063 123.915 122.820 0.053 0.000 2.014 127 A HA 0.049 4.371 4.320 0.004 0.000 0.218 127 A C 1.003 178.608 177.584 0.034 0.000 1.163 127 A CA 0.508 52.569 52.037 0.040 0.000 0.652 127 A CB -0.118 18.902 19.000 0.033 0.000 0.808 127 A HN 0.082 nan 8.150 nan 0.000 0.449 128 L N 1.400 122.645 121.223 0.037 0.000 2.326 128 L HA 0.273 4.615 4.340 0.004 0.000 0.278 128 L C 0.913 177.800 176.870 0.028 0.000 1.092 128 L CA -0.570 54.286 54.840 0.027 0.000 0.810 128 L CB 1.378 43.451 42.059 0.023 0.000 1.153 128 L HN 0.383 nan 8.230 nan 0.000 0.439 129 S N 0.346 116.058 115.700 0.020 0.000 2.608 129 S HA 0.050 4.522 4.470 0.004 0.000 0.261 129 S C 0.553 175.163 174.600 0.017 0.000 1.314 129 S CA -0.553 57.658 58.200 0.019 0.000 0.992 129 S CB 1.085 64.293 63.200 0.013 0.000 0.935 129 S HN 0.632 nan 8.310 nan 0.000 0.564 130 D N 0.941 121.352 120.400 0.018 0.000 2.106 130 D HA -0.120 4.522 4.640 0.004 0.000 0.191 130 D C 1.976 178.278 176.300 0.004 0.000 0.997 130 D CA 2.110 56.118 54.000 0.015 0.000 0.834 130 D CB -0.280 40.528 40.800 0.015 0.000 0.956 130 D HN 0.793 nan 8.370 nan 0.000 0.448 131 E N 0.037 120.238 120.200 0.001 0.000 2.058 131 E HA -0.156 4.196 4.350 0.004 0.000 0.194 131 E C 2.260 178.852 176.600 -0.013 0.000 0.997 131 E CA 1.043 57.439 56.400 -0.006 0.000 0.801 131 E CB -0.105 29.592 29.700 -0.005 0.000 0.746 131 E HN 0.149 nan 8.360 nan 0.000 0.450 132 V N 1.536 121.444 119.914 -0.010 0.000 2.515 132 V HA -0.221 3.901 4.120 0.004 0.000 0.250 132 V C 2.286 178.363 176.094 -0.029 0.000 1.058 132 V CA 1.306 63.596 62.300 -0.017 0.000 1.064 132 V CB -0.437 31.381 31.823 -0.009 0.000 0.675 132 V HN 0.244 nan 8.190 nan 0.000 0.461 133 L N -0.698 120.512 121.223 -0.022 0.000 2.109 133 L HA -0.105 4.237 4.340 0.004 0.000 0.207 133 L C 2.483 179.320 176.870 -0.055 0.000 1.086 133 L CA 0.892 55.710 54.840 -0.036 0.000 0.760 133 L CB -0.486 41.571 42.059 -0.003 0.000 0.910 133 L HN 0.184 nan 8.230 nan 0.000 0.437 134 V N 0.179 120.072 119.914 -0.036 0.000 2.295 134 V HA -0.323 3.799 4.120 0.004 0.000 0.246 134 V C 2.756 178.818 176.094 -0.055 0.000 1.049 134 V CA 1.944 64.219 62.300 -0.040 0.000 1.024 134 V CB -0.807 31.000 31.823 -0.026 0.000 0.648 134 V HN 0.494 nan 8.190 nan 0.000 0.447 135 A N -1.187 121.604 122.820 -0.049 0.000 1.902 135 A HA -0.293 4.029 4.320 0.004 0.000 0.217 135 A C 2.144 179.685 177.584 -0.073 0.000 1.181 135 A CA 1.944 53.950 52.037 -0.052 0.000 0.623 135 A CB -0.501 18.475 19.000 -0.039 0.000 0.818 135 A HN 0.626 nan 8.150 nan 0.000 0.443 136 Q N -1.146 118.597 119.800 -0.094 0.000 2.297 136 Q HA 0.026 4.369 4.340 0.004 0.000 0.204 136 Q C 2.158 178.040 176.000 -0.198 0.000 0.962 136 Q CA 0.897 56.616 55.803 -0.139 0.000 0.879 136 Q CB -0.199 28.441 28.738 -0.163 0.000 0.947 136 Q HN 0.714 nan 8.270 nan 0.000 0.462 137 A N 0.159 122.875 122.820 -0.173 0.000 1.984 137 A HA 0.001 4.323 4.320 0.004 0.000 0.214 137 A C 1.912 179.431 177.584 -0.108 0.000 1.173 137 A CA 0.177 52.110 52.037 -0.172 0.000 0.673 137 A CB -0.265 18.656 19.000 -0.131 0.000 0.830 137 A HN 0.252 nan 8.150 nan 0.000 0.453 138 L N -0.220 120.952 121.223 -0.085 0.000 2.051 138 L HA -0.184 4.158 4.340 0.004 0.000 0.214 138 L C -0.526 176.308 176.870 -0.060 0.000 1.076 138 L CA 1.872 56.672 54.840 -0.066 0.000 0.758 138 L CB -1.363 40.662 42.059 -0.057 0.000 0.890 138 L HN 0.251 nan 8.230 nan 0.000 0.433 139 P HA -0.133 nan 4.420 nan 0.000 0.217 139 P C 1.382 178.658 177.300 -0.039 0.000 1.150 139 P CA 1.305 64.376 63.100 -0.048 0.000 0.832 139 P CB -0.013 31.659 31.700 -0.047 0.000 0.787 140 R N -1.035 119.437 120.500 -0.045 0.000 2.062 140 R HA -0.063 4.279 4.340 0.004 0.000 0.229 140 R C 2.207 178.497 176.300 -0.016 0.000 1.128 140 R CA 0.946 57.036 56.100 -0.017 0.000 0.960 140 R CB -1.364 28.929 30.300 -0.011 0.000 0.855 140 R HN 0.154 nan 8.270 nan 0.000 0.432 141 L N 1.714 122.916 121.223 -0.034 0.000 2.012 141 L HA -0.181 4.161 4.340 0.004 0.000 0.210 141 L C 1.356 178.198 176.870 -0.047 0.000 1.073 141 L CA 1.985 56.801 54.840 -0.040 0.000 0.748 141 L CB -0.525 41.502 42.059 -0.054 0.000 0.891 141 L HN 0.054 nan 8.230 nan 0.000 0.431 142 D N -1.058 119.312 120.400 -0.050 0.000 2.178 142 D HA -0.153 4.489 4.640 0.004 0.000 0.201 142 D C 2.064 178.338 176.300 -0.043 0.000 0.980 142 D CA 1.687 55.655 54.000 -0.053 0.000 0.842 142 D CB -0.167 40.602 40.800 -0.051 0.000 0.948 142 D HN 0.415 nan 8.370 nan 0.000 0.472 143 T N 0.863 115.399 114.554 -0.030 0.000 2.777 143 T HA -0.055 4.298 4.350 0.004 0.000 0.266 143 T C 2.218 176.909 174.700 -0.015 0.000 1.040 143 T CA 0.515 62.603 62.100 -0.020 0.000 1.141 143 T CB -0.165 68.698 68.868 -0.008 0.000 0.868 143 T HN 0.126 nan 8.240 nan 0.000 0.444 144 L N 0.400 121.616 121.223 -0.011 0.000 2.056 144 L HA 0.004 4.347 4.340 0.004 0.000 0.207 144 L C 2.441 179.298 176.870 -0.021 0.000 1.078 144 L CA 1.027 55.865 54.840 -0.003 0.000 0.749 144 L CB -0.538 41.522 42.059 0.002 0.000 0.901 144 L HN 0.248 nan 8.230 nan 0.000 0.433 145 L N -0.387 120.806 121.223 -0.051 0.000 2.131 145 L HA -0.188 4.155 4.340 0.004 0.000 0.210 145 L C 2.768 179.592 176.870 -0.078 0.000 1.092 145 L CA 1.430 56.221 54.840 -0.082 0.000 0.759 145 L CB -0.666 41.327 42.059 -0.111 0.000 0.903 145 L HN 0.407 nan 8.230 nan 0.000 0.435 146 S N -0.931 114.733 115.700 -0.060 0.000 2.507 146 S HA -0.146 4.327 4.470 0.004 0.000 0.235 146 S C 1.382 175.954 174.600 -0.046 0.000 0.988 146 S CA 0.769 58.932 58.200 -0.062 0.000 0.944 146 S CB -0.247 62.923 63.200 -0.050 0.000 0.762 146 S HN 0.518 nan 8.310 nan 0.000 0.526 147 E N 0.445 120.641 120.200 -0.006 0.000 2.465 147 E HA 0.306 4.659 4.350 0.004 0.000 0.195 147 E C 1.051 177.708 176.600 0.095 0.000 1.028 147 E CA 0.145 56.594 56.400 0.082 0.000 0.899 147 E CB 0.161 29.932 29.700 0.118 0.000 1.032 147 E HN 0.692 nan 8.360 nan 0.000 0.468 148 G N 1.094 109.856 108.800 -0.063 0.000 2.176 148 G HA2 -0.274 3.688 3.960 0.004 0.000 0.253 148 G HA3 -0.274 3.688 3.960 0.004 0.000 0.253 148 G C 0.465 175.360 174.900 -0.010 0.000 0.979 148 G CA 0.111 45.138 45.100 -0.122 0.000 0.641 148 G HN 0.176 nan 8.290 nan 0.000 0.530 149 V N 1.661 121.582 119.914 0.012 0.000 2.572 149 V HA 0.480 4.603 4.120 0.004 0.000 0.291 149 V C 1.435 177.498 176.094 -0.051 0.000 1.039 149 V CA 1.238 63.546 62.300 0.013 0.000 1.055 149 V CB 1.485 33.316 31.823 0.012 0.000 0.969 149 V HN 1.003 nan 8.190 nan 0.000 0.482 150 S N 1.604 117.284 115.700 -0.033 0.000 2.687 150 S HA 0.183 4.655 4.470 0.004 0.000 0.247 150 S C 0.452 175.009 174.600 -0.072 0.000 1.050 150 S CA -0.169 57.967 58.200 -0.107 0.000 1.063 150 S CB 0.631 63.856 63.200 0.041 0.000 1.039 150 S HN 0.633 nan 8.310 nan 0.000 0.580 151 T N 2.693 117.248 114.554 0.001 0.000 2.881 151 T HA 0.666 5.019 4.350 0.004 0.000 0.291 151 T C -0.988 173.715 174.700 0.005 0.000 0.990 151 T CA -0.349 61.765 62.100 0.024 0.000 0.976 151 T CB 1.278 70.185 68.868 0.065 0.000 0.970 151 T HN 0.277 nan 8.240 nan 0.000 0.438 152 I N 2.006 122.570 120.570 -0.010 0.000 2.582 152 I HA 0.426 4.598 4.170 0.004 0.000 0.292 152 I C -0.121 175.990 176.117 -0.009 0.000 1.066 152 I CA -0.964 60.332 61.300 -0.006 0.000 1.053 152 I CB 2.339 40.330 38.000 -0.015 0.000 1.241 152 I HN 0.453 nan 8.210 nan 0.000 0.421 153 E N 6.853 127.046 120.200 -0.012 0.000 2.216 153 E HA 0.552 4.904 4.350 0.004 0.000 0.279 153 E C -1.462 175.106 176.600 -0.052 0.000 0.997 153 E CA -0.472 55.906 56.400 -0.037 0.000 0.817 153 E CB 1.642 31.308 29.700 -0.055 0.000 1.096 153 E HN 0.494 nan 8.360 nan 0.000 0.393 154 I N 3.955 124.489 120.570 -0.060 0.000 2.466 154 I HA 0.303 4.475 4.170 0.004 0.000 0.289 154 I C -0.097 175.959 176.117 -0.102 0.000 1.026 154 I CA -0.791 60.474 61.300 -0.059 0.000 1.078 154 I CB 1.913 39.906 38.000 -0.011 0.000 1.249 154 I HN 0.255 nan 8.210 nan 0.000 0.429 155 K N 3.467 123.758 120.400 -0.182 0.000 2.139 155 K HA 0.569 4.892 4.320 0.004 0.000 0.243 155 K C 0.203 176.718 176.600 -0.142 0.000 0.983 155 K CA -0.657 55.488 56.287 -0.237 0.000 0.890 155 K CB 1.778 33.976 32.500 -0.502 0.000 1.090 155 K HN 0.712 nan 8.250 nan 0.000 0.445 156 S N -0.728 114.883 115.700 -0.147 0.000 2.397 156 S HA 0.610 5.082 4.470 0.004 0.000 0.261 156 S C 1.028 175.506 174.600 -0.204 0.000 1.151 156 S CA 0.020 58.167 58.200 -0.088 0.000 1.022 156 S CB 0.527 63.695 63.200 -0.054 0.000 1.187 156 S HN 0.924 nan 8.310 nan 0.000 0.473 157 G N -1.158 107.546 108.800 -0.161 0.000 2.184 157 G HA2 -0.163 3.799 3.960 0.004 0.000 0.206 157 G HA3 -0.163 3.799 3.960 0.004 0.000 0.206 157 G C -0.068 174.795 174.900 -0.061 0.000 0.995 157 G CA 0.232 45.236 45.100 -0.161 0.000 0.651 157 G HN 0.590 nan 8.290 nan 0.000 0.511 158 Y N 0.642 121.059 120.300 0.196 0.000 2.696 158 Y HA 0.496 5.049 4.550 0.004 0.000 0.260 158 Y C 1.931 177.909 175.900 0.130 0.000 1.165 158 Y CA 0.049 58.251 58.100 0.171 0.000 1.189 158 Y CB 0.648 39.217 38.460 0.182 0.000 1.180 158 Y HN 0.247 nan 8.280 nan 0.000 0.538 159 G N -0.836 108.102 108.800 0.229 0.000 2.763 159 G HA2 0.119 4.082 3.960 0.004 0.000 0.205 159 G HA3 0.119 4.082 3.960 0.004 0.000 0.205 159 G C 0.760 175.767 174.900 0.178 0.000 1.137 159 G CA 0.170 45.379 45.100 0.183 0.000 0.839 159 G HN 0.280 nan 8.290 nan 0.000 0.596 160 L N 0.807 122.146 121.223 0.194 0.000 4.291 160 L HA -0.159 4.183 4.340 0.004 0.000 0.413 160 L C -0.933 176.118 176.870 0.302 0.000 1.162 160 L CA 0.764 55.768 54.840 0.274 0.000 0.961 160 L CB -2.375 39.792 42.059 0.181 0.000 2.095 160 L HN 0.635 nan 8.230 nan 0.000 0.838 161 D N -2.506 118.014 120.400 0.200 0.000 2.655 161 D HA 0.494 5.137 4.640 0.004 0.000 0.229 161 D C 0.757 177.127 176.300 0.116 0.000 1.229 161 D CA -0.831 53.264 54.000 0.158 0.000 0.807 161 D CB 0.487 41.382 40.800 0.157 0.000 1.514 161 D HN -0.057 nan 8.370 nan 0.000 0.444 162 I N 0.230 120.853 120.570 0.089 0.000 2.118 162 I HA -0.286 3.886 4.170 0.004 0.000 0.241 162 I C 1.906 178.080 176.117 0.095 0.000 1.070 162 I CA 1.333 62.688 61.300 0.090 0.000 1.327 162 I CB -0.229 37.806 38.000 0.059 0.000 1.034 162 I HN 0.474 nan 8.210 nan 0.000 0.405 163 E N 0.570 120.819 120.200 0.082 0.000 2.085 163 E HA -0.179 4.174 4.350 0.004 0.000 0.194 163 E C 2.255 178.905 176.600 0.084 0.000 0.994 163 E CA 1.918 58.363 56.400 0.074 0.000 0.801 163 E CB -0.659 29.080 29.700 0.065 0.000 0.743 163 E HN 0.504 nan 8.360 nan 0.000 0.453 164 T N 1.650 116.262 114.554 0.096 0.000 2.904 164 T HA -0.063 4.290 4.350 0.004 0.000 0.267 164 T C 1.588 176.355 174.700 0.112 0.000 1.059 164 T CA 0.750 62.913 62.100 0.104 0.000 1.137 164 T CB 0.044 68.982 68.868 0.117 0.000 0.879 164 T HN 0.070 nan 8.240 nan 0.000 0.467 165 E N 1.350 121.621 120.200 0.117 0.000 2.077 165 E HA -0.008 4.344 4.350 0.004 0.000 0.193 165 E C 2.287 178.969 176.600 0.136 0.000 0.989 165 E CA 0.782 57.252 56.400 0.117 0.000 0.800 165 E CB -0.402 29.375 29.700 0.127 0.000 0.746 165 E HN 0.457 nan 8.360 nan 0.000 0.452 166 L N 0.696 121.998 121.223 0.132 0.000 2.093 166 L HA -0.146 4.196 4.340 0.004 0.000 0.208 166 L C 2.677 179.595 176.870 0.079 0.000 1.085 166 L CA 1.088 55.991 54.840 0.105 0.000 0.755 166 L CB -0.369 41.735 42.059 0.076 0.000 0.904 166 L HN 0.092 nan 8.230 nan 0.000 0.435 167 K N 0.450 120.896 120.400 0.077 0.000 2.063 167 K HA -0.202 4.120 4.320 0.004 0.000 0.208 167 K C 2.176 178.816 176.600 0.067 0.000 1.048 167 K CA 1.474 57.800 56.287 0.064 0.000 0.928 167 K CB -0.039 32.501 32.500 0.066 0.000 0.713 167 K HN 0.195 nan 8.250 nan 0.000 0.442 168 M N 0.623 120.273 119.600 0.084 0.000 2.117 168 M HA -0.174 4.309 4.480 0.004 0.000 0.262 168 M C 2.086 178.425 176.300 0.066 0.000 1.065 168 M CA 1.488 56.839 55.300 0.086 0.000 1.114 168 M CB -0.231 32.433 32.600 0.106 0.000 1.361 168 M HN 0.178 nan 8.290 nan 0.000 0.408 169 L N -0.653 120.611 121.223 0.069 0.000 2.093 169 L HA -0.185 4.157 4.340 0.004 0.000 0.208 169 L C 2.611 179.504 176.870 0.038 0.000 1.085 169 L CA 1.214 56.087 54.840 0.056 0.000 0.755 169 L CB -0.691 41.414 42.059 0.076 0.000 0.904 169 L HN 0.290 nan 8.230 nan 0.000 0.435 170 R N -0.348 120.175 120.500 0.038 0.000 2.081 170 R HA -0.110 4.232 4.340 0.004 0.000 0.235 170 R C 2.268 178.579 176.300 0.019 0.000 1.131 170 R CA 1.173 57.288 56.100 0.025 0.000 0.960 170 R CB -0.605 29.710 30.300 0.024 0.000 0.856 170 R HN 0.194 nan 8.270 nan 0.000 0.436 171 V N 1.363 121.292 119.914 0.024 0.000 2.332 171 V HA -0.270 3.852 4.120 0.004 0.000 0.248 171 V C 2.542 178.640 176.094 0.008 0.000 1.055 171 V CA 2.025 64.334 62.300 0.015 0.000 1.038 171 V CB -0.771 31.065 31.823 0.021 0.000 0.651 171 V HN 0.404 nan 8.190 nan 0.000 0.450 172 A N -0.214 122.615 122.820 0.015 0.000 1.902 172 A HA -0.201 4.121 4.320 0.004 0.000 0.217 172 A C 2.356 179.941 177.584 0.001 0.000 1.181 172 A CA 1.519 53.560 52.037 0.007 0.000 0.623 172 A CB -0.458 18.549 19.000 0.012 0.000 0.818 172 A HN 0.395 nan 8.150 nan 0.000 0.443 173 R N -0.577 119.926 120.500 0.006 0.000 2.081 173 R HA -0.104 4.238 4.340 0.004 0.000 0.235 173 R C 2.305 178.604 176.300 -0.001 0.000 1.131 173 R CA 1.629 57.731 56.100 0.003 0.000 0.960 173 R CB -0.753 29.551 30.300 0.006 0.000 0.856 173 R HN 0.673 nan 8.270 nan 0.000 0.436 174 R N 0.806 121.305 120.500 -0.002 0.000 2.120 174 R HA -0.031 4.311 4.340 0.004 0.000 0.234 174 R C 2.339 178.631 176.300 -0.014 0.000 1.123 174 R CA 0.913 57.009 56.100 -0.006 0.000 0.975 174 R CB -0.228 30.069 30.300 -0.005 0.000 0.866 174 R HN 0.149 nan 8.270 nan 0.000 0.446 175 L N 0.442 121.654 121.223 -0.019 0.000 2.131 175 L HA -0.167 4.176 4.340 0.004 0.000 0.210 175 L C 2.432 179.278 176.870 -0.039 0.000 1.092 175 L CA 1.453 56.274 54.840 -0.032 0.000 0.759 175 L CB -0.387 41.652 42.059 -0.034 0.000 0.903 175 L HN 0.359 nan 8.230 nan 0.000 0.435 176 E N -0.235 119.948 120.200 -0.029 0.000 2.338 176 E HA -0.187 4.166 4.350 0.004 0.000 0.197 176 E C 1.779 178.369 176.600 -0.018 0.000 1.007 176 E CA 1.407 57.789 56.400 -0.030 0.000 0.849 176 E CB 0.188 29.884 29.700 -0.007 0.000 0.774 176 E HN 0.536 nan 8.360 nan 0.000 0.506 177 T N -2.361 112.185 114.554 -0.014 0.000 3.081 177 T HA 0.107 4.459 4.350 0.004 0.000 0.250 177 T C 1.534 176.225 174.700 -0.014 0.000 1.100 177 T CA -0.024 62.072 62.100 -0.007 0.000 1.038 177 T CB 0.081 68.947 68.868 -0.003 0.000 0.962 177 T HN 0.107 nan 8.240 nan 0.000 0.516 178 L N -0.690 120.516 121.223 -0.027 0.000 2.664 178 L HA 0.491 4.833 4.340 0.004 0.000 0.233 178 L C 0.759 177.601 176.870 -0.047 0.000 1.113 178 L CA -0.296 54.525 54.840 -0.033 0.000 0.896 178 L CB 0.198 42.237 42.059 -0.034 0.000 1.163 178 L HN 0.003 nan 8.230 nan 0.000 0.497 179 R N -0.120 120.340 120.500 -0.065 0.000 2.739 179 R HA 0.381 4.723 4.340 0.004 0.000 0.271 179 R C -2.746 173.467 176.300 -0.145 0.000 1.010 179 R CA -1.863 54.177 56.100 -0.100 0.000 0.897 179 R CB 0.967 31.195 30.300 -0.122 0.000 1.236 179 R HN -0.376 nan 8.270 nan 0.000 0.466 180 P HA 0.181 nan 4.420 nan 0.000 0.260 180 P C -0.856 175.893 177.300 -0.918 0.000 1.651 180 P CA -0.018 62.900 63.100 -0.303 0.000 1.139 180 P CB 0.454 32.080 31.700 -0.123 0.000 1.756 181 V N 3.116 122.512 119.914 -0.864 0.000 3.048 181 V HA 0.463 4.585 4.120 0.004 0.000 0.303 181 V C -1.227 174.641 176.094 -0.376 0.000 1.214 181 V CA -1.144 60.629 62.300 -0.877 0.000 0.984 181 V CB 2.804 34.382 31.823 -0.408 0.000 1.054 181 V HN 0.209 nan 8.190 nan 0.000 0.430 182 R N 5.311 125.725 120.500 -0.144 0.000 2.207 182 R HA 0.681 5.024 4.340 0.004 0.000 0.334 182 R C -1.352 174.962 176.300 0.023 0.000 1.013 182 R CA -0.431 55.741 56.100 0.120 0.000 0.858 182 R CB 0.910 31.367 30.300 0.260 0.000 1.094 182 R HN 0.756 nan 8.270 nan 0.000 0.457 183 I N 5.748 126.328 120.570 0.018 0.000 2.433 183 I HA 0.291 4.463 4.170 0.004 0.000 0.292 183 I C -0.366 175.756 176.117 0.008 0.000 1.001 183 I CA -1.163 60.136 61.300 -0.000 0.000 1.119 183 I CB 2.114 40.105 38.000 -0.014 0.000 1.289 183 I HN 0.411 nan 8.210 nan 0.000 0.438 184 V N 1.997 121.911 119.914 0.000 0.000 2.628 184 V HA 0.771 4.893 4.120 0.004 0.000 0.306 184 V C -0.025 176.059 176.094 -0.015 0.000 1.045 184 V CA -0.411 61.888 62.300 -0.003 0.000 0.905 184 V CB 1.444 33.264 31.823 -0.004 0.000 0.997 184 V HN 0.812 nan 8.190 nan 0.000 0.436 185 T N 1.033 115.581 114.554 -0.010 0.000 2.925 185 T HA 0.773 5.126 4.350 0.004 0.000 0.285 185 T C -0.117 174.574 174.700 -0.015 0.000 1.021 185 T CA -0.598 61.495 62.100 -0.012 0.000 1.042 185 T CB 1.649 70.524 68.868 0.011 0.000 1.037 185 T HN 0.891 nan 8.240 nan 0.000 0.481 186 S N 1.156 116.838 115.700 -0.030 0.000 2.672 186 S HA 0.342 4.815 4.470 0.004 0.000 0.291 186 S C -1.505 173.101 174.600 0.010 0.000 1.145 186 S CA -0.760 57.425 58.200 -0.025 0.000 1.013 186 S CB 0.730 63.872 63.200 -0.097 0.000 1.017 186 S HN 0.737 nan 8.310 nan 0.000 0.487 187 Y N 4.328 124.591 120.300 -0.062 0.000 2.587 187 Y HA 0.370 4.923 4.550 0.004 0.000 0.344 187 Y C -0.022 175.843 175.900 -0.058 0.000 1.061 187 Y CA -0.495 57.574 58.100 -0.051 0.000 1.370 187 Y CB 0.300 38.738 38.460 -0.038 0.000 1.163 187 Y HN 0.530 nan 8.280 nan 0.000 0.527 188 L N 7.089 128.041 121.223 -0.451 0.000 3.100 188 L HA 0.474 4.816 4.340 0.004 0.000 0.259 188 L C 1.158 177.764 176.870 -0.440 0.000 1.316 188 L CA 0.306 54.903 54.840 -0.406 0.000 0.992 188 L CB -0.532 41.303 42.059 -0.374 0.000 1.390 188 L HN 0.770 nan 8.230 nan 0.000 0.550 189 A N 0.670 123.016 122.820 -0.789 0.000 2.019 189 A HA 0.133 4.456 4.320 0.004 0.000 0.219 189 A C 1.666 179.212 177.584 -0.062 0.000 1.164 189 A CA 1.062 52.843 52.037 -0.428 0.000 0.644 189 A CB -0.351 18.300 19.000 -0.582 0.000 0.805 189 A HN 0.636 nan 8.150 nan 0.000 0.449 190 A N -1.107 121.609 122.820 -0.175 0.000 3.033 190 A HA 0.312 4.634 4.320 0.004 0.000 0.250 190 A C 0.974 178.676 177.584 0.197 0.000 1.633 190 A CA 0.259 52.187 52.037 -0.182 0.000 1.290 190 A CB -1.092 17.642 19.000 -0.444 0.000 1.048 190 A HN 0.752 nan 8.150 nan 0.000 0.648 191 H N -0.216 118.986 119.070 0.220 0.000 2.439 191 H HA 0.513 5.072 4.556 0.004 0.000 0.299 191 H C 0.726 176.285 175.328 0.385 0.000 1.033 191 H CA 0.778 56.951 56.048 0.208 0.000 1.348 191 H CB 0.394 30.146 29.762 -0.017 0.000 1.449 191 H HN 0.648 nan 8.280 nan 0.000 0.544 192 A N -0.052 123.001 122.820 0.388 0.000 2.515 192 A HA 0.357 4.680 4.320 0.004 0.000 0.292 192 A C -0.879 176.597 177.584 -0.181 0.000 1.065 192 A CA -0.271 51.787 52.037 0.035 0.000 0.641 192 A CB 0.623 19.565 19.000 -0.096 0.000 1.306 192 A HN 0.247 nan 8.150 nan 0.000 0.441 193 T N 0.508 114.835 114.554 -0.379 0.000 2.875 193 T HA 0.770 5.123 4.350 0.004 0.000 0.284 193 T C -2.411 172.122 174.700 -0.278 0.000 0.995 193 T CA -1.609 60.156 62.100 -0.557 0.000 1.060 193 T CB 1.412 70.065 68.868 -0.358 0.000 0.967 193 T HN 0.543 nan 8.240 nan 0.000 0.476 194 P HA 0.292 nan 4.420 nan 0.000 0.277 194 P C 0.985 178.303 177.300 0.029 0.000 1.271 194 P CA -0.506 62.588 63.100 -0.010 0.000 0.795 194 P CB 0.525 32.285 31.700 0.099 0.000 1.101 195 A N 1.315 124.154 122.820 0.031 0.000 1.903 195 A HA -0.227 4.095 4.320 0.004 0.000 0.219 195 A C 1.618 179.208 177.584 0.011 0.000 1.191 195 A CA 2.342 54.388 52.037 0.015 0.000 0.638 195 A CB -1.627 17.380 19.000 0.011 0.000 0.823 195 A HN 0.714 nan 8.150 nan 0.000 0.451 196 D N -2.690 117.724 120.400 0.023 0.000 2.363 196 D HA -0.085 4.557 4.640 0.004 0.000 0.226 196 D C 0.553 176.738 176.300 -0.191 0.000 1.020 196 D CA 0.643 54.599 54.000 -0.073 0.000 0.892 196 D CB -0.264 40.477 40.800 -0.097 0.000 0.900 196 D HN 0.610 nan 8.370 nan 0.000 0.531 197 Y N 0.285 120.590 120.300 0.008 0.000 2.557 197 Y HA 0.172 4.724 4.550 0.004 0.000 0.247 197 Y C 0.519 176.402 175.900 -0.029 0.000 1.164 197 Y CA -0.687 57.426 58.100 0.021 0.000 1.218 197 Y CB 0.520 39.020 38.460 0.066 0.000 1.210 197 Y HN -0.329 nan 8.280 nan 0.000 0.529 198 K N 0.726 121.154 120.400 0.047 0.000 2.447 198 K HA 0.181 4.503 4.320 0.004 0.000 0.281 198 K C 1.187 177.787 176.600 0.000 0.000 1.031 198 K CA 0.959 57.242 56.287 -0.007 0.000 1.019 198 K CB 0.300 32.785 32.500 -0.025 0.000 0.918 198 K HN 0.549 nan 8.250 nan 0.000 0.476 199 G N 3.382 112.174 108.800 -0.013 0.000 2.176 199 G HA2 -0.322 3.641 3.960 0.004 0.000 0.253 199 G HA3 -0.322 3.641 3.960 0.004 0.000 0.253 199 G C 0.322 175.246 174.900 0.040 0.000 0.979 199 G CA 0.077 45.175 45.100 -0.003 0.000 0.641 199 G HN 0.569 nan 8.290 nan 0.000 0.530 200 R N 0.129 120.688 120.500 0.099 0.000 2.834 200 R HA 0.283 4.625 4.340 0.004 0.000 0.362 200 R C 1.190 177.653 176.300 0.272 0.000 1.147 200 R CA -0.437 55.776 56.100 0.188 0.000 1.125 200 R CB -0.030 30.420 30.300 0.249 0.000 1.361 200 R HN 0.131 nan 8.270 nan 0.000 0.598 201 N N 1.790 120.603 118.700 0.188 0.000 2.094 201 N HA -0.219 4.523 4.740 0.004 0.000 0.191 201 N C 1.751 177.464 175.510 0.338 0.000 1.023 201 N CA 1.851 55.082 53.050 0.302 0.000 0.857 201 N CB -0.058 38.549 38.487 0.199 0.000 1.013 201 N HN 0.397 nan 8.380 nan 0.000 0.426 202 A N 1.136 124.086 122.820 0.216 0.000 1.851 202 A HA -0.174 4.149 4.320 0.004 0.000 0.216 202 A C 1.831 179.507 177.584 0.152 0.000 1.195 202 A CA 1.933 54.064 52.037 0.156 0.000 0.622 202 A CB -0.758 18.309 19.000 0.111 0.000 0.831 202 A HN 0.162 nan 8.150 nan 0.000 0.444 203 D N -1.918 118.609 120.400 0.211 0.000 2.178 203 D HA -0.147 4.496 4.640 0.004 0.000 0.201 203 D C 1.633 178.028 176.300 0.158 0.000 0.980 203 D CA 1.428 55.577 54.000 0.248 0.000 0.842 203 D CB -0.415 40.619 40.800 0.389 0.000 0.948 203 D HN 0.597 nan 8.370 nan 0.000 0.472 204 Y N 1.234 121.505 120.300 -0.048 0.000 2.145 204 Y HA -0.141 4.411 4.550 0.004 0.000 0.286 204 Y C 2.106 177.863 175.900 -0.237 0.000 1.145 204 Y CA 1.206 59.011 58.100 -0.490 0.000 1.148 204 Y CB -0.408 37.906 38.460 -0.244 0.000 0.981 204 Y HN -0.075 nan 8.280 nan 0.000 0.507 205 I N -0.857 119.606 120.570 -0.178 0.000 2.252 205 I HA -0.308 3.864 4.170 0.004 0.000 0.245 205 I C 2.158 178.153 176.117 -0.202 0.000 1.102 205 I CA 1.781 62.925 61.300 -0.259 0.000 1.385 205 I CB -0.629 37.296 38.000 -0.125 0.000 1.064 205 I HN 0.188 nan 8.210 nan 0.000 0.414 206 T N -0.012 114.481 114.554 -0.101 0.000 2.821 206 T HA -0.137 4.216 4.350 0.004 0.000 0.267 206 T C 1.371 176.028 174.700 -0.071 0.000 1.046 206 T CA 1.448 63.515 62.100 -0.054 0.000 1.139 206 T CB -0.164 68.712 68.868 0.012 0.000 0.871 206 T HN 0.305 nan 8.240 nan 0.000 0.454 207 D N -0.092 120.245 120.400 -0.105 0.000 2.277 207 D HA 0.120 4.763 4.640 0.004 0.000 0.209 207 D C 2.017 178.225 176.300 -0.153 0.000 0.970 207 D CA 0.461 54.418 54.000 -0.073 0.000 0.874 207 D CB 0.118 40.954 40.800 0.060 0.000 0.982 207 D HN 0.261 nan 8.370 nan 0.000 0.504 208 V N -0.071 119.625 119.914 -0.362 0.000 2.854 208 V HA -0.013 4.109 4.120 0.004 0.000 0.236 208 V C 2.416 178.337 176.094 -0.289 0.000 1.157 208 V CA 0.246 62.330 62.300 -0.359 0.000 1.187 208 V CB 0.029 31.505 31.823 -0.579 0.000 0.949 208 V HN -0.061 nan 8.190 nan 0.000 0.488 209 V N 0.739 120.374 119.914 -0.464 0.000 2.233 209 V HA -0.260 3.862 4.120 0.004 0.000 0.247 209 V C 2.364 178.450 176.094 -0.013 0.000 1.050 209 V CA 2.309 64.495 62.300 -0.190 0.000 1.010 209 V CB -0.636 30.996 31.823 -0.318 0.000 0.637 209 V HN 0.397 nan 8.190 nan 0.000 0.444 210 L N -0.371 120.792 121.223 -0.100 0.000 2.027 210 L HA -0.100 4.243 4.340 0.004 0.000 0.206 210 L C 0.129 176.953 176.870 -0.077 0.000 1.074 210 L CA 1.757 56.552 54.840 -0.074 0.000 0.745 210 L CB -1.830 40.185 42.059 -0.073 0.000 0.898 210 L HN 0.361 nan 8.230 nan 0.000 0.433 211 P HA -0.097 nan 4.420 nan 0.000 0.217 211 P C 1.569 178.830 177.300 -0.064 0.000 1.151 211 P CA 1.509 64.575 63.100 -0.055 0.000 0.828 211 P CB -0.136 31.540 31.700 -0.039 0.000 0.788 212 G N 0.106 108.882 108.800 -0.041 0.000 2.422 212 G HA2 -0.239 3.724 3.960 0.004 0.000 0.218 212 G HA3 -0.239 3.724 3.960 0.004 0.000 0.218 212 G C 1.434 176.147 174.900 -0.310 0.000 1.146 212 G CA 0.449 45.537 45.100 -0.019 0.000 0.769 212 G HN 0.206 nan 8.290 nan 0.000 0.547 213 L N 0.929 121.873 121.223 -0.466 0.000 2.046 213 L HA 0.027 4.370 4.340 0.004 0.000 0.208 213 L C 2.609 179.273 176.870 -0.343 0.000 1.077 213 L CA 2.577 56.978 54.840 -0.733 0.000 0.747 213 L CB -0.779 41.028 42.059 -0.420 0.000 0.896 213 L HN 0.373 nan 8.230 nan 0.000 0.432 214 E N -0.057 120.032 120.200 -0.185 0.000 2.038 214 E HA -0.310 4.042 4.350 0.004 0.000 0.195 214 E C 2.337 178.903 176.600 -0.057 0.000 1.000 214 E CA 2.050 58.403 56.400 -0.078 0.000 0.803 214 E CB -0.274 29.394 29.700 -0.053 0.000 0.750 214 E HN 0.483 nan 8.360 nan 0.000 0.448 215 K N -0.579 119.771 120.400 -0.082 0.000 2.097 215 K HA -0.074 4.248 4.320 0.004 0.000 0.205 215 K C 2.024 178.581 176.600 -0.071 0.000 1.050 215 K CA 1.101 57.352 56.287 -0.059 0.000 0.938 215 K CB -0.243 32.232 32.500 -0.040 0.000 0.718 215 K HN 0.220 nan 8.250 nan 0.000 0.442 216 A N 0.250 122.992 122.820 -0.130 0.000 1.902 216 A HA -0.222 4.100 4.320 0.004 0.000 0.217 216 A C 1.957 179.504 177.584 -0.061 0.000 1.181 216 A CA 1.955 53.921 52.037 -0.120 0.000 0.623 216 A CB -0.872 17.965 19.000 -0.272 0.000 0.818 216 A HN 0.551 nan 8.150 nan 0.000 0.443 217 H N -0.017 118.953 119.070 -0.166 0.000 2.357 217 H HA 0.120 4.679 4.556 0.004 0.000 0.301 217 H C 2.109 177.391 175.328 -0.078 0.000 1.082 217 H CA 1.625 57.603 56.048 -0.116 0.000 1.342 217 H CB -0.318 29.371 29.762 -0.122 0.000 1.389 217 H HN 0.365 nan 8.280 nan 0.000 0.511 218 A N 0.241 122.982 122.820 -0.131 0.000 1.972 218 A HA -0.173 4.149 4.320 0.004 0.000 0.219 218 A C 2.145 179.643 177.584 -0.144 0.000 1.169 218 A CA 1.801 53.741 52.037 -0.161 0.000 0.635 218 A CB -0.416 18.539 19.000 -0.075 0.000 0.810 218 A HN 0.664 nan 8.150 nan 0.000 0.446 219 E N -1.171 118.966 120.200 -0.104 0.000 2.474 219 E HA 0.299 4.651 4.350 0.004 0.000 0.195 219 E C 0.909 177.465 176.600 -0.074 0.000 1.039 219 E CA 0.368 56.724 56.400 -0.074 0.000 0.881 219 E CB -0.280 29.395 29.700 -0.042 0.000 0.970 219 E HN 0.635 nan 8.360 nan 0.000 0.486 220 G N 1.523 110.258 108.800 -0.109 0.000 2.249 220 G HA2 -0.269 3.693 3.960 0.004 0.000 0.273 220 G HA3 -0.269 3.693 3.960 0.004 0.000 0.273 220 G C 0.581 175.464 174.900 -0.030 0.000 1.036 220 G CA 0.626 45.678 45.100 -0.080 0.000 0.824 220 G HN 0.375 nan 8.290 nan 0.000 0.504 221 L N -0.903 120.309 121.223 -0.018 0.000 2.529 221 L HA 0.463 4.805 4.340 0.004 0.000 0.223 221 L C 1.605 178.489 176.870 0.025 0.000 1.113 221 L CA 0.821 55.664 54.840 0.006 0.000 0.861 221 L CB 0.182 42.249 42.059 0.014 0.000 1.012 221 L HN 0.499 nan 8.230 nan 0.000 0.461 222 A N -0.517 122.319 122.820 0.026 0.000 2.304 222 A HA 0.348 4.670 4.320 0.004 0.000 0.314 222 A C -0.077 177.529 177.584 0.036 0.000 1.187 222 A CA -0.578 51.484 52.037 0.041 0.000 0.810 222 A CB 0.629 19.649 19.000 0.033 0.000 1.183 222 A HN 0.013 nan 8.150 nan 0.000 0.487 223 D N 1.256 121.670 120.400 0.023 0.000 2.305 223 D HA 0.304 4.947 4.640 0.004 0.000 0.206 223 D C 0.807 177.105 176.300 -0.003 0.000 0.974 223 D CA 1.699 55.707 54.000 0.012 0.000 0.871 223 D CB 0.596 41.398 40.800 0.004 0.000 0.947 223 D HN 0.735 nan 8.370 nan 0.000 0.516 224 A N -0.335 122.483 122.820 -0.003 0.000 2.581 224 A HA 0.567 4.889 4.320 0.004 0.000 0.290 224 A C -1.513 176.075 177.584 0.007 0.000 1.119 224 A CA -0.570 51.451 52.037 -0.026 0.000 0.670 224 A CB 1.468 20.440 19.000 -0.047 0.000 1.280 224 A HN -0.122 nan 8.150 nan 0.000 0.425 225 V N 1.635 121.538 119.914 -0.017 0.000 2.487 225 V HA 0.482 4.604 4.120 0.004 0.000 0.298 225 V C -0.628 175.499 176.094 0.055 0.000 1.028 225 V CA -0.442 61.897 62.300 0.065 0.000 0.860 225 V CB 1.516 33.380 31.823 0.068 0.000 0.991 225 V HN 0.948 nan 8.190 nan 0.000 0.427 226 D N 2.000 122.453 120.400 0.088 0.000 2.569 226 D HA 0.864 5.506 4.640 0.004 0.000 0.266 226 D C 0.062 176.475 176.300 0.189 0.000 1.164 226 D CA 0.183 54.257 54.000 0.124 0.000 1.071 226 D CB 2.399 43.209 40.800 0.017 0.000 1.183 226 D HN 0.821 nan 8.370 nan 0.000 0.613 227 G N -0.691 108.250 108.800 0.234 0.000 2.489 227 G HA2 0.394 4.357 3.960 0.004 0.000 0.291 227 G HA3 0.394 4.357 3.960 0.004 0.000 0.291 227 G C -2.146 172.957 174.900 0.338 0.000 1.487 227 G CA -0.630 44.580 45.100 0.184 0.000 0.795 227 G HN 0.190 nan 8.290 nan 0.000 0.513 228 F N 1.698 121.738 119.950 0.149 0.000 2.513 228 F HA 0.552 5.081 4.527 0.004 0.000 0.358 228 F C -0.146 175.789 175.800 0.226 0.000 1.118 228 F CA -1.997 56.125 58.000 0.202 0.000 1.037 228 F CB 1.045 40.165 39.000 0.199 0.000 1.276 228 F HN 0.546 nan 8.300 nan 0.000 0.446 229 C N 6.328 125.763 119.300 0.225 0.000 2.200 229 C HA 0.744 5.206 4.460 0.004 0.000 0.328 229 C C -0.373 174.512 174.990 -0.176 0.000 1.148 229 C CA 0.181 59.211 59.018 0.019 0.000 1.624 229 C CB -1.504 26.279 27.740 0.072 0.000 2.167 229 C HN 0.910 nan 8.230 nan 0.000 0.484 230 E N 2.258 122.218 120.200 -0.400 0.000 2.416 230 E HA 0.455 4.807 4.350 0.004 0.000 0.280 230 E C 0.739 177.105 176.600 -0.391 0.000 1.055 230 E CA 0.149 56.266 56.400 -0.473 0.000 0.825 230 E CB 0.781 29.918 29.700 -0.939 0.000 1.312 230 E HN 0.466 nan 8.360 nan 0.000 0.452 231 G N 1.266 109.887 108.800 -0.297 0.000 2.440 231 G HA2 -0.204 3.758 3.960 0.004 0.000 0.218 231 G HA3 -0.204 3.758 3.960 0.004 0.000 0.218 231 G C 1.320 176.058 174.900 -0.270 0.000 1.154 231 G CA 1.262 46.218 45.100 -0.240 0.000 0.767 231 G HN 0.625 nan 8.290 nan 0.000 0.552 232 I N -1.990 118.396 120.570 -0.307 0.000 3.646 232 I HA 0.606 4.779 4.170 0.004 0.000 0.301 232 I C 1.116 177.018 176.117 -0.360 0.000 1.276 232 I CA 0.330 61.465 61.300 -0.276 0.000 1.254 232 I CB 0.009 37.894 38.000 -0.192 0.000 1.020 232 I HN 0.211 nan 8.210 nan 0.000 0.473 233 A N 0.624 123.147 122.820 -0.495 0.000 3.102 233 A HA 0.672 4.994 4.320 0.004 0.000 0.183 233 A C -0.790 176.386 177.584 -0.679 0.000 0.985 233 A CA -0.422 51.252 52.037 -0.606 0.000 1.237 233 A CB -0.017 18.616 19.000 -0.612 0.000 1.856 233 A HN 0.164 nan 8.150 nan 0.000 0.670 234 F N 1.386 121.221 119.950 -0.191 0.000 2.397 234 F HA 0.525 5.055 4.527 0.004 0.000 0.331 234 F C 1.267 176.986 175.800 -0.136 0.000 1.090 234 F CA 0.115 58.044 58.000 -0.118 0.000 1.065 234 F CB 1.679 40.640 39.000 -0.064 0.000 1.184 234 F HN 0.520 nan 8.300 nan 0.000 0.499 235 S N 0.542 116.285 115.700 0.073 0.000 2.661 235 S HA 0.289 4.761 4.470 0.004 0.000 0.265 235 S C 0.890 175.495 174.600 0.009 0.000 1.225 235 S CA -0.766 57.439 58.200 0.008 0.000 0.986 235 S CB 1.078 64.279 63.200 0.003 0.000 1.008 235 S HN 0.395 nan 8.310 nan 0.000 0.565 236 V N 1.339 121.249 119.914 -0.007 0.000 2.343 236 V HA -0.129 3.993 4.120 0.004 0.000 0.247 236 V C 2.746 178.828 176.094 -0.020 0.000 1.051 236 V CA 2.268 64.560 62.300 -0.014 0.000 1.036 236 V CB -1.002 30.827 31.823 0.011 0.000 0.654 236 V HN 0.985 nan 8.190 nan 0.000 0.451 237 K N -0.051 120.350 120.400 0.002 0.000 2.097 237 K HA -0.213 4.109 4.320 0.004 0.000 0.206 237 K C 2.080 178.677 176.600 -0.005 0.000 1.049 237 K CA 1.753 58.045 56.287 0.009 0.000 0.933 237 K CB -0.052 32.459 32.500 0.018 0.000 0.717 237 K HN 0.608 nan 8.250 nan 0.000 0.442 238 E N 0.368 120.572 120.200 0.008 0.000 2.046 238 E HA -0.143 4.210 4.350 0.004 0.000 0.190 238 E C 1.977 178.508 176.600 -0.116 0.000 0.982 238 E CA 0.816 57.222 56.400 0.009 0.000 0.800 238 E CB 0.018 29.811 29.700 0.155 0.000 0.756 238 E HN 0.239 nan 8.360 nan 0.000 0.449 239 I N 1.859 122.323 120.570 -0.177 0.000 2.361 239 I HA -0.230 3.942 4.170 0.004 0.000 0.251 239 I C 2.132 177.936 176.117 -0.521 0.000 1.133 239 I CA 1.456 62.497 61.300 -0.432 0.000 1.413 239 I CB -0.960 36.729 38.000 -0.519 0.000 1.073 239 I HN 0.125 nan 8.210 nan 0.000 0.424 240 D N 0.877 121.116 120.400 -0.267 0.000 2.123 240 D HA -0.209 4.433 4.640 0.004 0.000 0.196 240 D C 2.345 178.616 176.300 -0.048 0.000 0.992 240 D CA 1.357 55.303 54.000 -0.090 0.000 0.833 240 D CB 0.097 40.935 40.800 0.064 0.000 0.954 240 D HN 0.196 nan 8.370 nan 0.000 0.455 241 R N -0.378 120.084 120.500 -0.064 0.000 2.091 241 R HA -0.098 4.244 4.340 0.004 0.000 0.238 241 R C 2.406 178.674 176.300 -0.054 0.000 1.136 241 R CA 1.302 57.381 56.100 -0.035 0.000 0.959 241 R CB -0.364 29.910 30.300 -0.043 0.000 0.856 241 R HN 0.184 nan 8.270 nan 0.000 0.437 242 V N 0.405 120.248 119.914 -0.118 0.000 2.358 242 V HA -0.207 3.916 4.120 0.004 0.000 0.246 242 V C 2.045 178.171 176.094 0.054 0.000 1.047 242 V CA 1.526 63.785 62.300 -0.067 0.000 1.035 242 V CB -0.522 31.224 31.823 -0.129 0.000 0.658 242 V HN 0.146 nan 8.190 nan 0.000 0.452 243 F N 0.970 120.738 119.950 -0.304 0.000 2.186 243 F HA -0.011 4.518 4.527 0.004 0.000 0.299 243 F C 2.494 178.014 175.800 -0.468 0.000 1.090 243 F CA 0.719 58.368 58.000 -0.584 0.000 1.307 243 F CB -1.497 36.775 39.000 -1.214 0.000 1.019 243 F HN 0.131 nan 8.300 nan 0.000 0.489 244 A N 0.192 123.005 122.820 -0.012 0.000 1.883 244 A HA -0.109 4.214 4.320 0.004 0.000 0.217 244 A C 2.505 180.127 177.584 0.064 0.000 1.186 244 A CA 2.128 54.260 52.037 0.158 0.000 0.624 244 A CB -1.230 17.869 19.000 0.164 0.000 0.822 244 A HN 0.281 nan 8.150 nan 0.000 0.444 245 A N -0.320 122.508 122.820 0.013 0.000 1.898 245 A HA 0.189 4.512 4.320 0.004 0.000 0.216 245 A C 2.501 180.050 177.584 -0.058 0.000 1.181 245 A CA 2.029 54.052 52.037 -0.022 0.000 0.620 245 A CB -0.981 17.998 19.000 -0.035 0.000 0.819 245 A HN 1.069 nan 8.150 nan 0.000 0.442 246 A N -0.793 121.991 122.820 -0.061 0.000 1.902 246 A HA -0.230 4.093 4.320 0.004 0.000 0.217 246 A C 2.213 179.730 177.584 -0.111 0.000 1.181 246 A CA 1.781 53.752 52.037 -0.110 0.000 0.623 246 A CB -0.603 18.326 19.000 -0.117 0.000 0.818 246 A HN 0.653 nan 8.150 nan 0.000 0.443 247 Q N -1.036 118.735 119.800 -0.048 0.000 2.084 247 Q HA -0.235 4.107 4.340 0.004 0.000 0.202 247 Q C 1.952 177.942 176.000 -0.018 0.000 0.978 247 Q CA 1.587 57.395 55.803 0.007 0.000 0.844 247 Q CB -0.160 28.665 28.738 0.145 0.000 0.898 247 Q HN 0.602 nan 8.270 nan 0.000 0.426 248 Q N 0.054 119.843 119.800 -0.019 0.000 2.291 248 Q HA -0.092 4.250 4.340 0.004 0.000 0.205 248 Q C 1.321 177.274 176.000 -0.077 0.000 0.970 248 Q CA 1.078 56.863 55.803 -0.030 0.000 0.876 248 Q CB 0.048 28.776 28.738 -0.016 0.000 0.935 248 Q HN 0.398 nan 8.270 nan 0.000 0.455 249 R N -0.991 119.414 120.500 -0.159 0.000 2.362 249 R HA 0.186 4.528 4.340 0.004 0.000 0.227 249 R C 0.835 176.951 176.300 -0.307 0.000 0.905 249 R CA 0.478 56.391 56.100 -0.313 0.000 1.067 249 R CB 0.548 30.498 30.300 -0.582 0.000 1.078 249 R HN 0.253 nan 8.270 nan 0.000 0.516 250 G N 1.577 110.283 108.800 -0.156 0.000 2.143 250 G HA2 -0.269 3.694 3.960 0.004 0.000 0.248 250 G HA3 -0.269 3.694 3.960 0.004 0.000 0.248 250 G C -0.019 174.823 174.900 -0.096 0.000 0.991 250 G CA -0.074 44.972 45.100 -0.090 0.000 0.689 250 G HN 0.168 nan 8.290 nan 0.000 0.522 251 L N 1.670 122.805 121.223 -0.147 0.000 2.307 251 L HA 0.489 4.831 4.340 0.004 0.000 0.282 251 L C -1.338 175.466 176.870 -0.111 0.000 1.051 251 L CA -2.266 52.504 54.840 -0.116 0.000 0.804 251 L CB 1.445 43.417 42.059 -0.146 0.000 1.197 251 L HN -0.027 nan 8.230 nan 0.000 0.431 252 P HA 0.181 nan 4.420 nan 0.000 0.274 252 P C -0.832 176.358 177.300 -0.182 0.000 1.237 252 P CA -0.242 62.789 63.100 -0.115 0.000 0.793 252 P CB 1.631 33.286 31.700 -0.075 0.000 0.977 253 V N -1.215 118.528 119.914 -0.285 0.000 3.046 253 V HA 0.867 4.989 4.120 0.004 0.000 0.316 253 V C -0.369 175.529 176.094 -0.326 0.000 1.104 253 V CA -0.941 61.081 62.300 -0.463 0.000 1.006 253 V CB 1.847 32.961 31.823 -1.181 0.000 1.058 253 V HN 0.824 nan 8.190 nan 0.000 0.440 254 K N 1.611 121.871 120.400 -0.234 0.000 2.548 254 K HA 0.880 5.202 4.320 0.004 0.000 0.282 254 K C -2.065 174.640 176.600 0.175 0.000 1.006 254 K CA -0.959 55.306 56.287 -0.036 0.000 0.892 254 K CB 2.333 34.817 32.500 -0.026 0.000 1.499 254 K HN 0.784 nan 8.250 nan 0.000 0.433 255 L N 0.786 122.153 121.223 0.240 0.000 2.505 255 L HA 0.381 4.723 4.340 0.004 0.000 0.259 255 L C -1.880 175.211 176.870 0.368 0.000 0.952 255 L CA -0.265 54.810 54.840 0.391 0.000 0.840 255 L CB 2.076 44.414 42.059 0.466 0.000 1.358 255 L HN 0.774 nan 8.230 nan 0.000 0.409 256 H N 3.536 122.821 119.070 0.358 0.000 2.934 256 H HA 0.737 5.295 4.556 0.004 0.000 0.273 256 H C -0.218 175.403 175.328 0.488 0.000 1.121 256 H CA 0.651 56.983 56.048 0.474 0.000 1.451 256 H CB 0.736 30.786 29.762 0.480 0.000 1.469 256 H HN 0.726 nan 8.280 nan 0.000 0.476 257 A N 2.234 125.332 122.820 0.464 0.000 2.401 257 A HA 0.576 4.898 4.320 0.004 0.000 0.310 257 A C 0.081 177.848 177.584 0.305 0.000 1.075 257 A CA -0.915 51.329 52.037 0.345 0.000 0.746 257 A CB 0.752 19.905 19.000 0.256 0.000 1.277 257 A HN 0.672 nan 8.150 nan 0.000 0.425 258 E N -0.296 120.048 120.200 0.239 0.000 2.539 258 E HA -0.262 4.091 4.350 0.004 0.000 0.253 258 E C 0.889 177.682 176.600 0.321 0.000 1.145 258 E CA 1.380 57.920 56.400 0.234 0.000 0.738 258 E CB -1.617 28.214 29.700 0.218 0.000 1.308 258 E HN 0.767 nan 8.360 nan 0.000 0.409 259 Q N -0.306 119.677 119.800 0.305 0.000 2.083 259 Q HA -0.040 4.303 4.340 0.004 0.000 0.198 259 Q C 1.558 177.749 176.000 0.319 0.000 0.969 259 Q CA 1.409 57.380 55.803 0.281 0.000 0.838 259 Q CB 0.160 28.950 28.738 0.087 0.000 0.900 259 Q HN 0.593 nan 8.270 nan 0.000 0.436 260 L N -0.348 120.931 121.223 0.093 0.000 2.701 260 L HA 0.310 4.652 4.340 0.004 0.000 0.238 260 L C 0.434 176.802 176.870 -0.838 0.000 1.106 260 L CA -0.051 54.680 54.840 -0.182 0.000 0.898 260 L CB 1.063 43.056 42.059 -0.110 0.000 1.188 260 L HN 0.112 nan 8.230 nan 0.000 0.508 261 S N -1.629 113.698 115.700 -0.621 0.000 2.636 261 S HA 0.328 4.800 4.470 0.004 0.000 0.268 261 S C -1.282 173.219 174.600 -0.165 0.000 1.159 261 S CA -0.868 56.971 58.200 -0.602 0.000 0.815 261 S CB 1.919 64.909 63.200 -0.351 0.000 1.130 261 S HN 0.012 nan 8.310 nan 0.000 0.471 262 N N 0.594 119.258 118.700 -0.059 0.000 2.527 262 N HA 0.475 5.217 4.740 0.004 0.000 0.236 262 N C -0.172 175.344 175.510 0.010 0.000 0.999 262 N CA -0.735 52.345 53.050 0.049 0.000 0.935 262 N CB 0.026 38.572 38.487 0.099 0.000 1.132 262 N HN 0.687 nan 8.380 nan 0.000 0.511 263 L N 1.775 123.007 121.223 0.014 0.000 2.701 263 L HA 0.385 4.727 4.340 0.004 0.000 0.238 263 L C 1.138 178.024 176.870 0.027 0.000 1.106 263 L CA 0.201 55.042 54.840 0.003 0.000 0.898 263 L CB 0.261 42.307 42.059 -0.021 0.000 1.188 263 L HN 0.745 nan 8.230 nan 0.000 0.508 264 G N 0.033 108.864 108.800 0.051 0.000 2.130 264 G HA2 -0.225 3.738 3.960 0.004 0.000 0.216 264 G HA3 -0.225 3.738 3.960 0.004 0.000 0.216 264 G C 0.864 175.812 174.900 0.080 0.000 0.999 264 G CA 0.116 45.252 45.100 0.061 0.000 0.686 264 G HN 0.399 nan 8.290 nan 0.000 0.515 265 G N 0.498 109.353 108.800 0.092 0.000 2.402 265 G HA2 0.223 4.186 3.960 0.004 0.000 0.216 265 G HA3 0.223 4.186 3.960 0.004 0.000 0.216 265 G C 1.996 176.991 174.900 0.159 0.000 1.162 265 G CA 2.391 47.562 45.100 0.119 0.000 0.777 265 G HN 1.569 nan 8.290 nan 0.000 0.539 266 A N 0.993 123.901 122.820 0.147 0.000 1.908 266 A HA -0.063 4.259 4.320 0.004 0.000 0.218 266 A C 2.163 179.828 177.584 0.135 0.000 1.181 266 A CA 1.964 54.087 52.037 0.143 0.000 0.627 266 A CB -0.396 18.673 19.000 0.114 0.000 0.818 266 A HN 0.470 nan 8.150 nan 0.000 0.445 267 E N -0.842 119.427 120.200 0.114 0.000 2.106 267 E HA -0.164 4.189 4.350 0.004 0.000 0.192 267 E C 1.956 178.639 176.600 0.138 0.000 0.984 267 E CA 1.120 57.581 56.400 0.102 0.000 0.806 267 E CB -0.258 29.488 29.700 0.077 0.000 0.750 267 E HN 0.532 nan 8.360 nan 0.000 0.458 268 L N 1.133 122.457 121.223 0.170 0.000 2.046 268 L HA -0.127 4.216 4.340 0.004 0.000 0.208 268 L C 2.235 179.343 176.870 0.398 0.000 1.077 268 L CA 2.019 57.009 54.840 0.250 0.000 0.747 268 L CB -0.586 41.596 42.059 0.205 0.000 0.896 268 L HN 0.024 nan 8.230 nan 0.000 0.432 269 A N -0.335 122.708 122.820 0.371 0.000 1.908 269 A HA -0.129 4.194 4.320 0.004 0.000 0.218 269 A C 2.460 180.189 177.584 0.241 0.000 1.181 269 A CA 1.937 54.204 52.037 0.383 0.000 0.627 269 A CB -1.254 17.921 19.000 0.292 0.000 0.818 269 A HN 0.602 nan 8.150 nan 0.000 0.445 270 A N 0.309 123.233 122.820 0.173 0.000 1.933 270 A HA -0.080 4.242 4.320 0.004 0.000 0.218 270 A C 2.446 180.084 177.584 0.089 0.000 1.175 270 A CA 2.211 54.312 52.037 0.107 0.000 0.628 270 A CB -0.970 18.077 19.000 0.078 0.000 0.814 270 A HN 1.077 nan 8.150 nan 0.000 0.444 271 S N -2.043 113.719 115.700 0.103 0.000 2.469 271 S HA -0.119 4.354 4.470 0.004 0.000 0.238 271 S C 1.239 175.782 174.600 -0.096 0.000 0.998 271 S CA 1.116 59.314 58.200 -0.004 0.000 0.957 271 S CB -0.596 62.586 63.200 -0.030 0.000 0.764 271 S HN 0.559 nan 8.310 nan 0.000 0.514 272 Y N 2.185 122.513 120.300 0.048 0.000 2.555 272 Y HA 0.358 4.910 4.550 0.004 0.000 0.259 272 Y C 0.360 176.227 175.900 -0.055 0.000 1.179 272 Y CA -0.809 57.289 58.100 -0.004 0.000 1.230 272 Y CB -0.242 38.199 38.460 -0.030 0.000 1.146 272 Y HN 0.195 nan 8.280 nan 0.000 0.526 273 N N -0.287 118.459 118.700 0.077 0.000 2.740 273 N HA -0.196 4.546 4.740 0.004 0.000 0.248 273 N C 0.164 175.680 175.510 0.010 0.000 1.062 273 N CA 0.709 53.778 53.050 0.032 0.000 0.704 273 N CB -1.285 37.210 38.487 0.015 0.000 0.968 273 N HN 0.337 nan 8.380 nan 0.000 0.547 274 A N 0.163 122.990 122.820 0.012 0.000 2.555 274 A HA 0.163 4.485 4.320 0.004 0.000 0.233 274 A C 1.756 179.323 177.584 -0.028 0.000 1.060 274 A CA 0.083 52.091 52.037 -0.048 0.000 0.759 274 A CB 0.240 19.232 19.000 -0.014 0.000 0.995 274 A HN 0.369 nan 8.150 nan 0.000 0.506 275 L N 1.338 122.531 121.223 -0.050 0.000 2.046 275 L HA -0.061 4.281 4.340 0.004 0.000 0.208 275 L C 1.300 178.164 176.870 -0.009 0.000 1.077 275 L CA 1.750 56.572 54.840 -0.029 0.000 0.747 275 L CB -0.443 41.593 42.059 -0.039 0.000 0.896 275 L HN 0.965 nan 8.230 nan 0.000 0.432 276 S N -2.152 113.546 115.700 -0.003 0.000 2.588 276 S HA 0.746 5.219 4.470 0.004 0.000 0.269 276 S C -1.067 173.562 174.600 0.049 0.000 1.157 276 S CA -0.507 57.704 58.200 0.019 0.000 0.824 276 S CB 2.111 65.319 63.200 0.014 0.000 1.126 276 S HN 0.064 nan 8.310 nan 0.000 0.464 277 A N 1.101 123.958 122.820 0.062 0.000 2.343 277 A HA 0.788 5.110 4.320 0.004 0.000 0.308 277 A C -1.613 176.012 177.584 0.069 0.000 1.092 277 A CA -0.612 51.486 52.037 0.102 0.000 0.751 277 A CB 0.835 19.901 19.000 0.110 0.000 1.203 277 A HN 0.756 nan 8.150 nan 0.000 0.452 278 D N 0.923 121.368 120.400 0.075 0.000 2.350 278 D HA 0.700 5.342 4.640 0.004 0.000 0.245 278 D C 0.538 176.854 176.300 0.026 0.000 1.036 278 D CA 0.191 54.165 54.000 -0.044 0.000 0.848 278 D CB 0.968 41.687 40.800 -0.135 0.000 1.307 278 D HN 0.592 nan 8.370 nan 0.000 0.469 279 H N 1.071 120.144 119.070 0.004 0.000 4.677 279 H HA -0.203 4.356 4.556 0.004 0.000 0.066 279 H C 0.818 176.175 175.328 0.049 0.000 0.625 279 H CA 0.848 56.931 56.048 0.059 0.000 0.903 279 H CB -0.968 28.887 29.762 0.154 0.000 0.409 279 H HN 0.452 nan 8.280 nan 0.000 0.814 280 L N 0.794 122.166 121.223 0.249 0.000 4.179 280 L HA -0.288 4.055 4.340 0.004 0.000 0.418 280 L C 1.364 178.277 176.870 0.073 0.000 1.168 280 L CA 1.190 56.114 54.840 0.140 0.000 0.972 280 L CB -1.314 40.778 42.059 0.055 0.000 2.005 280 L HN 0.392 nan 8.230 nan 0.000 0.935 281 E N -0.218 120.049 120.200 0.111 0.000 2.097 281 E HA -0.170 4.182 4.350 0.004 0.000 0.196 281 E C 1.293 177.770 176.600 -0.205 0.000 1.000 281 E CA 2.033 58.401 56.400 -0.053 0.000 0.804 281 E CB -0.128 29.585 29.700 0.022 0.000 0.740 281 E HN 0.700 nan 8.360 nan 0.000 0.454 282 Y N -0.464 119.870 120.300 0.057 0.000 2.532 282 Y HA 0.198 4.751 4.550 0.004 0.000 0.283 282 Y C 0.183 176.102 175.900 0.032 0.000 1.181 282 Y CA -0.805 57.320 58.100 0.042 0.000 1.256 282 Y CB 0.183 38.670 38.460 0.044 0.000 1.112 282 Y HN -0.004 nan 8.280 nan 0.000 0.521 283 L N 2.355 123.639 121.223 0.103 0.000 2.453 283 L HA 0.138 4.481 4.340 0.004 0.000 0.272 283 L C 0.080 176.975 176.870 0.042 0.000 1.182 283 L CA -0.251 54.634 54.840 0.075 0.000 0.858 283 L CB 0.178 42.264 42.059 0.045 0.000 1.120 283 L HN 0.243 nan 8.230 nan 0.000 0.474 284 D N 1.711 122.140 120.400 0.048 0.000 2.487 284 D HA 0.135 4.778 4.640 0.004 0.000 0.262 284 D C 0.660 176.973 176.300 0.021 0.000 1.130 284 D CA -0.344 53.675 54.000 0.032 0.000 1.038 284 D CB 0.321 41.145 40.800 0.040 0.000 1.142 284 D HN 0.649 nan 8.370 nan 0.000 0.575 285 E N -0.734 119.475 120.200 0.014 0.000 2.058 285 E HA -0.223 4.129 4.350 0.004 0.000 0.194 285 E C 1.506 178.115 176.600 0.015 0.000 0.997 285 E CA 1.872 58.278 56.400 0.010 0.000 0.801 285 E CB -0.166 29.539 29.700 0.007 0.000 0.746 285 E HN 0.540 nan 8.360 nan 0.000 0.450 286 T N -0.225 114.341 114.554 0.020 0.000 2.665 286 T HA -0.179 4.174 4.350 0.004 0.000 0.268 286 T C 1.700 176.417 174.700 0.028 0.000 1.035 286 T CA 1.380 63.494 62.100 0.022 0.000 1.151 286 T CB -0.748 68.135 68.868 0.025 0.000 0.862 286 T HN 0.449 nan 8.240 nan 0.000 0.438 287 G N 0.929 109.749 108.800 0.034 0.000 2.418 287 G HA2 -0.033 3.929 3.960 0.004 0.000 0.217 287 G HA3 -0.033 3.929 3.960 0.004 0.000 0.217 287 G C 1.843 176.764 174.900 0.035 0.000 1.158 287 G CA 0.935 46.061 45.100 0.043 0.000 0.771 287 G HN 0.594 nan 8.290 nan 0.000 0.545 288 A N 0.937 123.771 122.820 0.024 0.000 1.902 288 A HA -0.028 4.294 4.320 0.004 0.000 0.217 288 A C 2.308 179.900 177.584 0.014 0.000 1.181 288 A CA 1.997 54.042 52.037 0.014 0.000 0.623 288 A CB -0.361 18.640 19.000 0.001 0.000 0.818 288 A HN 0.388 nan 8.150 nan 0.000 0.443 289 K N -0.326 120.083 120.400 0.014 0.000 2.148 289 K HA 0.002 4.324 4.320 0.004 0.000 0.204 289 K C 2.247 178.857 176.600 0.017 0.000 1.050 289 K CA 0.974 57.268 56.287 0.013 0.000 0.942 289 K CB -0.289 32.218 32.500 0.011 0.000 0.724 289 K HN 0.444 nan 8.250 nan 0.000 0.446 290 A N 1.435 124.270 122.820 0.024 0.000 1.930 290 A HA -0.111 4.212 4.320 0.004 0.000 0.217 290 A C 2.095 179.699 177.584 0.033 0.000 1.175 290 A CA 1.147 53.202 52.037 0.030 0.000 0.627 290 A CB -0.544 18.480 19.000 0.040 0.000 0.815 290 A HN 0.136 nan 8.150 nan 0.000 0.443 291 L N -0.881 120.362 121.223 0.034 0.000 2.027 291 L HA -0.179 4.163 4.340 0.004 0.000 0.206 291 L C 3.136 180.019 176.870 0.022 0.000 1.074 291 L CA 1.070 55.931 54.840 0.034 0.000 0.745 291 L CB -0.637 41.442 42.059 0.033 0.000 0.898 291 L HN 0.442 nan 8.230 nan 0.000 0.433 292 A N 0.167 122.997 122.820 0.016 0.000 1.877 292 A HA -0.268 4.054 4.320 0.004 0.000 0.216 292 A C 2.402 179.992 177.584 0.010 0.000 1.186 292 A CA 2.037 54.081 52.037 0.011 0.000 0.620 292 A CB -0.505 18.499 19.000 0.007 0.000 0.822 292 A HN 0.317 nan 8.150 nan 0.000 0.443 293 K N -0.446 119.961 120.400 0.012 0.000 2.103 293 K HA -0.095 4.227 4.320 0.004 0.000 0.207 293 K C 1.891 178.497 176.600 0.010 0.000 1.048 293 K CA 1.288 57.581 56.287 0.009 0.000 0.930 293 K CB -0.263 32.243 32.500 0.010 0.000 0.716 293 K HN 0.395 nan 8.250 nan 0.000 0.444 294 A N -0.168 122.661 122.820 0.015 0.000 2.169 294 A HA 0.184 4.506 4.320 0.004 0.000 0.212 294 A C 1.338 178.930 177.584 0.013 0.000 1.153 294 A CA 0.917 52.963 52.037 0.015 0.000 0.756 294 A CB -0.200 18.815 19.000 0.025 0.000 0.813 294 A HN 0.546 nan 8.150 nan 0.000 0.471 295 G N -1.111 107.696 108.800 0.012 0.000 2.136 295 G HA2 -0.216 3.746 3.960 0.004 0.000 0.242 295 G HA3 -0.216 3.746 3.960 0.004 0.000 0.242 295 G C 0.285 175.192 174.900 0.011 0.000 0.989 295 G CA 0.429 45.535 45.100 0.009 0.000 0.682 295 G HN 0.587 nan 8.290 nan 0.000 0.522 296 T N 1.036 115.601 114.554 0.017 0.000 2.794 296 T HA 0.473 4.825 4.350 0.004 0.000 0.296 296 T C 0.871 175.582 174.700 0.018 0.000 0.949 296 T CA -0.249 61.864 62.100 0.020 0.000 1.101 296 T CB 2.041 70.931 68.868 0.036 0.000 0.905 296 T HN 0.390 nan 8.240 nan 0.000 0.516 297 V N 2.964 122.886 119.914 0.013 0.000 2.715 297 V HA 0.404 4.527 4.120 0.004 0.000 0.299 297 V C 0.700 176.801 176.094 0.012 0.000 1.054 297 V CA -0.725 61.581 62.300 0.010 0.000 1.077 297 V CB 0.815 32.642 31.823 0.007 0.000 0.972 297 V HN 1.037 nan 8.190 nan 0.000 0.484 298 A N 5.283 128.106 122.820 0.005 0.000 2.294 298 A HA 0.605 4.927 4.320 0.004 0.000 0.316 298 A C -0.423 177.153 177.584 -0.012 0.000 1.359 298 A CA -0.381 51.656 52.037 -0.000 0.000 0.956 298 A CB 0.337 19.331 19.000 -0.010 0.000 1.155 298 A HN 0.654 nan 8.150 nan 0.000 0.544 299 V N 5.287 125.190 119.914 -0.019 0.000 2.348 299 V HA 0.220 4.342 4.120 0.004 0.000 0.270 299 V C 0.111 176.156 176.094 -0.081 0.000 1.037 299 V CA -0.067 62.207 62.300 -0.044 0.000 0.872 299 V CB 0.508 32.303 31.823 -0.047 0.000 1.002 299 V HN 0.736 nan 8.190 nan 0.000 0.464 300 L N 6.238 127.438 121.223 -0.039 0.000 2.334 300 L HA 0.564 4.906 4.340 0.004 0.000 0.277 300 L C -0.396 176.506 176.870 0.053 0.000 1.075 300 L CA -0.483 54.361 54.840 0.007 0.000 0.804 300 L CB 1.303 43.389 42.059 0.045 0.000 1.174 300 L HN 0.466 nan 8.230 nan 0.000 0.438 301 L N 5.024 126.307 121.223 0.101 0.000 2.433 301 L HA 0.288 4.631 4.340 0.004 0.000 0.256 301 L C -1.525 175.503 176.870 0.264 0.000 1.063 301 L CA -1.262 53.617 54.840 0.065 0.000 0.922 301 L CB 1.376 43.316 42.059 -0.199 0.000 1.238 301 L HN 0.406 nan 8.230 nan 0.000 0.466 302 P HA -0.142 nan 4.420 nan 0.000 0.220 302 P C 1.469 178.866 177.300 0.162 0.000 1.148 302 P CA 1.229 64.312 63.100 -0.029 0.000 0.803 302 P CB 0.462 31.882 31.700 -0.467 0.000 0.782 303 G N 0.962 109.840 108.800 0.129 0.000 2.459 303 G HA2 -0.262 3.701 3.960 0.004 0.000 0.217 303 G HA3 -0.262 3.701 3.960 0.004 0.000 0.217 303 G C 1.861 176.931 174.900 0.283 0.000 1.183 303 G CA 1.252 46.458 45.100 0.177 0.000 0.776 303 G HN 0.375 nan 8.290 nan 0.000 0.552 304 A N 0.145 123.132 122.820 0.280 0.000 1.930 304 A HA 0.115 4.437 4.320 0.004 0.000 0.217 304 A C 2.175 179.933 177.584 0.290 0.000 1.175 304 A CA 1.524 53.724 52.037 0.272 0.000 0.627 304 A CB -0.529 18.668 19.000 0.328 0.000 0.815 304 A HN 0.409 nan 8.150 nan 0.000 0.443 305 F N -0.606 119.490 119.950 0.243 0.000 2.095 305 F HA -0.232 4.297 4.527 0.004 0.000 0.298 305 F C 2.163 178.084 175.800 0.203 0.000 1.104 305 F CA 2.189 60.338 58.000 0.248 0.000 1.232 305 F CB -0.570 38.658 39.000 0.380 0.000 0.987 305 F HN 0.400 nan 8.300 nan 0.000 0.475 306 Y N 0.888 121.327 120.300 0.232 0.000 2.089 306 Y HA -0.163 4.389 4.550 0.004 0.000 0.282 306 Y C 2.377 178.289 175.900 0.019 0.000 1.139 306 Y CA 1.923 60.082 58.100 0.098 0.000 1.123 306 Y CB -1.159 37.367 38.460 0.111 0.000 0.980 306 Y HN 0.072 nan 8.280 nan 0.000 0.493 307 A N 0.469 123.309 122.820 0.034 0.000 1.940 307 A HA -0.144 4.179 4.320 0.004 0.000 0.219 307 A C 2.180 179.704 177.584 -0.099 0.000 1.176 307 A CA 1.902 53.887 52.037 -0.086 0.000 0.631 307 A CB -1.159 17.913 19.000 0.119 0.000 0.814 307 A HN 0.591 nan 8.150 nan 0.000 0.446 308 L N -1.867 119.318 121.223 -0.064 0.000 2.554 308 L HA 0.043 4.386 4.340 0.004 0.000 0.226 308 L C 0.444 177.220 176.870 -0.158 0.000 1.137 308 L CA -0.109 54.682 54.840 -0.081 0.000 0.863 308 L CB -0.075 41.963 42.059 -0.034 0.000 0.985 308 L HN 0.302 nan 8.230 nan 0.000 0.451 309 R N 0.430 120.783 120.500 -0.245 0.000 3.531 309 R HA -0.169 4.173 4.340 0.004 0.000 0.280 309 R C 0.193 176.304 176.300 -0.316 0.000 1.130 309 R CA 0.361 56.297 56.100 -0.273 0.000 0.757 309 R CB -2.298 27.889 30.300 -0.187 0.000 1.218 309 R HN 0.347 nan 8.270 nan 0.000 0.454 310 E N 1.443 121.336 120.200 -0.511 0.000 2.413 310 E HA 0.037 4.389 4.350 0.004 0.000 0.263 310 E C 0.890 177.213 176.600 -0.461 0.000 1.015 310 E CA 0.219 56.334 56.400 -0.475 0.000 0.916 310 E CB 0.699 30.086 29.700 -0.521 0.000 0.947 310 E HN -0.027 nan 8.360 nan 0.000 0.440 311 K N 2.622 122.943 120.400 -0.131 0.000 2.348 311 K HA 0.019 4.341 4.320 0.004 0.000 0.194 311 K C 0.049 176.700 176.600 0.084 0.000 1.052 311 K CA 0.157 56.438 56.287 -0.010 0.000 1.004 311 K CB 0.241 32.745 32.500 0.007 0.000 0.873 311 K HN 0.439 nan 8.250 nan 0.000 0.523 312 Q N 1.766 121.593 119.800 0.044 0.000 2.337 312 Q HA 0.237 4.579 4.340 0.004 0.000 0.255 312 Q C -0.794 175.247 176.000 0.069 0.000 0.997 312 Q CA 0.052 55.795 55.803 -0.099 0.000 0.925 312 Q CB 0.286 28.629 28.738 -0.658 0.000 1.212 312 Q HN 0.071 nan 8.270 nan 0.000 0.436 313 L N 7.205 128.452 121.223 0.040 0.000 2.371 313 L HA 0.470 4.812 4.340 0.004 0.000 0.272 313 L C -1.781 174.929 176.870 -0.266 0.000 1.124 313 L CA -1.976 52.805 54.840 -0.098 0.000 0.816 313 L CB 0.859 42.864 42.059 -0.089 0.000 1.129 313 L HN 0.634 nan 8.230 nan 0.000 0.448 314 P HA 0.102 nan 4.420 nan 0.000 0.272 314 P C -2.529 174.598 177.300 -0.289 0.000 1.223 314 P CA -1.545 61.332 63.100 -0.372 0.000 0.784 314 P CB 0.034 31.421 31.700 -0.522 0.000 0.923 315 P HA 0.033 nan 4.420 nan 0.000 0.241 315 P C 1.152 178.381 177.300 -0.119 0.000 1.760 315 P CA -0.056 62.969 63.100 -0.124 0.000 1.081 315 P CB -0.224 31.430 31.700 -0.076 0.000 1.975 316 V N 1.853 121.680 119.914 -0.146 0.000 2.287 316 V HA -0.266 3.857 4.120 0.004 0.000 0.248 316 V C 2.794 178.850 176.094 -0.064 0.000 1.053 316 V CA 2.047 64.280 62.300 -0.112 0.000 1.027 316 V CB -1.055 30.707 31.823 -0.102 0.000 0.646 316 V HN 0.327 nan 8.190 nan 0.000 0.447 317 Q N 0.309 120.077 119.800 -0.053 0.000 2.079 317 Q HA -0.086 4.257 4.340 0.004 0.000 0.200 317 Q C 2.179 178.161 176.000 -0.029 0.000 0.974 317 Q CA 2.032 57.815 55.803 -0.034 0.000 0.840 317 Q CB -0.704 28.018 28.738 -0.027 0.000 0.898 317 Q HN 0.601 nan 8.270 nan 0.000 0.430 318 A N 0.011 122.811 122.820 -0.033 0.000 1.940 318 A HA -0.154 4.169 4.320 0.004 0.000 0.219 318 A C 2.092 179.663 177.584 -0.022 0.000 1.176 318 A CA 1.425 53.447 52.037 -0.024 0.000 0.631 318 A CB -0.745 18.241 19.000 -0.024 0.000 0.814 318 A HN 0.445 nan 8.150 nan 0.000 0.446 319 L N -1.375 119.829 121.223 -0.031 0.000 2.056 319 L HA -0.175 4.167 4.340 0.004 0.000 0.207 319 L C 2.886 179.744 176.870 -0.019 0.000 1.078 319 L CA 1.474 56.298 54.840 -0.026 0.000 0.749 319 L CB -0.464 41.572 42.059 -0.038 0.000 0.901 319 L HN 0.343 nan 8.230 nan 0.000 0.433 320 R N 0.002 120.489 120.500 -0.021 0.000 2.073 320 R HA -0.165 4.178 4.340 0.004 0.000 0.234 320 R C 1.955 178.248 176.300 -0.011 0.000 1.134 320 R CA 1.715 57.806 56.100 -0.015 0.000 0.952 320 R CB -0.378 29.913 30.300 -0.016 0.000 0.850 320 R HN 0.335 nan 8.270 nan 0.000 0.433 321 D N 0.324 120.717 120.400 -0.011 0.000 2.144 321 D HA -0.109 4.533 4.640 0.004 0.000 0.199 321 D C 1.597 177.894 176.300 -0.005 0.000 0.984 321 D CA 1.442 55.437 54.000 -0.008 0.000 0.834 321 D CB -0.163 40.633 40.800 -0.008 0.000 0.955 321 D HN 0.281 nan 8.370 nan 0.000 0.465 322 A N -0.226 122.591 122.820 -0.005 0.000 2.167 322 A HA 0.350 4.673 4.320 0.004 0.000 0.214 322 A C 1.758 179.341 177.584 -0.001 0.000 1.151 322 A CA 1.210 53.245 52.037 -0.002 0.000 0.735 322 A CB -0.239 18.760 19.000 -0.001 0.000 0.802 322 A HN 0.270 nan 8.150 nan 0.000 0.467 323 G N -1.869 106.929 108.800 -0.003 0.000 2.149 323 G HA2 0.136 4.099 3.960 0.004 0.000 0.235 323 G HA3 0.136 4.099 3.960 0.004 0.000 0.235 323 G C 0.264 175.164 174.900 -0.001 0.000 1.018 323 G CA 0.314 45.413 45.100 -0.002 0.000 0.728 323 G HN 1.517 nan 8.290 nan 0.000 0.508 324 A N -0.137 122.681 122.820 -0.003 0.000 2.327 324 A HA 0.670 4.993 4.320 0.004 0.000 0.283 324 A C 0.461 178.043 177.584 -0.004 0.000 1.127 324 A CA -0.323 51.713 52.037 -0.001 0.000 0.810 324 A CB 0.564 19.563 19.000 -0.002 0.000 1.066 324 A HN 0.300 nan 8.150 nan 0.000 0.492 325 E N 1.495 121.694 120.200 -0.001 0.000 2.259 325 E HA 0.358 4.711 4.350 0.004 0.000 0.281 325 E C -0.707 175.891 176.600 -0.003 0.000 1.027 325 E CA 0.080 56.479 56.400 -0.001 0.000 0.838 325 E CB 1.350 31.052 29.700 0.002 0.000 1.066 325 E HN 0.523 nan 8.360 nan 0.000 0.401 326 I N 1.736 122.303 120.570 -0.004 0.000 2.412 326 I HA 0.435 4.607 4.170 0.004 0.000 0.296 326 I C 0.090 176.208 176.117 0.001 0.000 0.987 326 I CA -0.644 60.653 61.300 -0.005 0.000 1.180 326 I CB 1.637 39.632 38.000 -0.009 0.000 1.340 326 I HN 0.418 nan 8.210 nan 0.000 0.455 327 A N 7.134 129.955 122.820 0.002 0.000 2.384 327 A HA 0.924 5.246 4.320 0.004 0.000 0.312 327 A C -1.087 176.502 177.584 0.008 0.000 1.113 327 A CA -0.585 51.455 52.037 0.006 0.000 0.779 327 A CB 1.521 20.525 19.000 0.006 0.000 1.307 327 A HN 0.666 nan 8.150 nan 0.000 0.436 328 L N 0.594 121.823 121.223 0.010 0.000 2.386 328 L HA 0.784 5.126 4.340 0.004 0.000 0.271 328 L C 0.090 176.962 176.870 0.004 0.000 0.993 328 L CA -0.453 54.393 54.840 0.010 0.000 0.819 328 L CB 2.059 44.124 42.059 0.009 0.000 1.294 328 L HN 0.940 nan 8.230 nan 0.000 0.414 329 A N 0.443 123.257 122.820 -0.009 0.000 2.566 329 A HA 0.610 4.933 4.320 0.004 0.000 0.292 329 A C 0.470 178.058 177.584 0.006 0.000 1.112 329 A CA 0.084 52.126 52.037 0.009 0.000 0.707 329 A CB 1.573 20.593 19.000 0.033 0.000 1.302 329 A HN 0.774 nan 8.150 nan 0.000 0.409 330 T N -2.377 112.204 114.554 0.045 0.000 2.985 330 T HA 0.064 4.416 4.350 0.004 0.000 0.266 330 T C 0.623 175.382 174.700 0.098 0.000 1.076 330 T CA 1.471 63.608 62.100 0.061 0.000 1.135 330 T CB -0.325 68.590 68.868 0.078 0.000 0.890 330 T HN 1.195 nan 8.240 nan 0.000 0.480 331 D N -0.191 120.296 120.400 0.145 0.000 2.837 331 D HA -0.194 4.449 4.640 0.004 0.000 0.230 331 D C 0.028 176.518 176.300 0.318 0.000 1.152 331 D CA 0.521 54.688 54.000 0.278 0.000 0.736 331 D CB -2.258 38.594 40.800 0.086 0.000 1.084 331 D HN 0.714 nan 8.370 nan 0.000 0.429 332 C N 2.014 121.475 119.300 0.267 0.000 2.421 332 C HA 0.278 4.740 4.460 0.004 0.000 0.401 332 C C 0.529 175.718 174.990 0.331 0.000 1.493 332 C CA 0.645 59.815 59.018 0.253 0.000 1.416 332 C CB -2.210 25.666 27.740 0.227 0.000 2.451 332 C HN 0.568 nan 8.230 nan 0.000 0.624 333 N N 4.549 123.365 118.700 0.194 0.000 2.708 333 N HA 0.581 5.323 4.740 0.004 0.000 0.257 333 N C -2.294 173.042 175.510 -0.291 0.000 1.373 333 N CA -1.487 51.576 53.050 0.022 0.000 0.843 333 N CB 1.172 39.645 38.487 -0.022 0.000 1.503 333 N HN 0.191 nan 8.380 nan 0.000 0.504 334 P HA 0.061 nan 4.420 nan 0.000 0.222 334 P C 0.714 177.817 177.300 -0.330 0.000 1.153 334 P CA 1.389 64.037 63.100 -0.753 0.000 0.798 334 P CB 0.102 31.043 31.700 -1.265 0.000 0.796 335 G N -0.363 108.291 108.800 -0.244 0.000 2.651 335 G HA2 -0.030 3.933 3.960 0.004 0.000 0.207 335 G HA3 -0.030 3.933 3.960 0.004 0.000 0.207 335 G C 1.352 176.236 174.900 -0.026 0.000 1.131 335 G CA 0.987 46.022 45.100 -0.108 0.000 0.816 335 G HN 0.409 nan 8.290 nan 0.000 0.534 336 T N -3.809 110.737 114.554 -0.014 0.000 2.985 336 T HA 0.372 4.725 4.350 0.004 0.000 0.254 336 T C 0.741 175.490 174.700 0.082 0.000 1.021 336 T CA 0.743 62.867 62.100 0.039 0.000 0.957 336 T CB 0.619 69.512 68.868 0.042 0.000 1.047 336 T HN 0.165 nan 8.240 nan 0.000 0.511 337 S N 2.798 118.539 115.700 0.069 0.000 2.777 337 S HA 0.342 4.815 4.470 0.004 0.000 0.140 337 S C -3.064 171.587 174.600 0.085 0.000 1.233 337 S CA -0.794 57.472 58.200 0.110 0.000 1.157 337 S CB 1.053 64.341 63.200 0.147 0.000 1.600 337 S HN 0.130 nan 8.310 nan 0.000 0.432 338 P HA 0.232 nan 4.420 nan 0.000 0.226 338 P C -0.422 176.917 177.300 0.064 0.000 1.783 338 P CA -0.276 62.852 63.100 0.046 0.000 0.980 338 P CB -0.194 31.498 31.700 -0.013 0.000 1.967 339 L N 2.205 123.479 121.223 0.085 0.000 2.307 339 L HA 0.473 4.816 4.340 0.004 0.000 0.284 339 L C 0.642 177.555 176.870 0.071 0.000 1.023 339 L CA 0.203 55.081 54.840 0.064 0.000 0.810 339 L CB 1.489 43.583 42.059 0.057 0.000 1.231 339 L HN -0.011 nan 8.230 nan 0.000 0.423 340 T N -0.490 114.092 114.554 0.047 0.000 3.339 340 T HA 0.309 4.661 4.350 0.004 0.000 0.292 340 T C 0.205 174.922 174.700 0.027 0.000 1.012 340 T CA -0.140 61.988 62.100 0.047 0.000 0.937 340 T CB -0.297 68.597 68.868 0.044 0.000 1.164 340 T HN 0.496 nan 8.240 nan 0.000 0.509 341 S N 1.035 116.746 115.700 0.018 0.000 2.707 341 S HA 0.521 4.993 4.470 0.004 0.000 0.303 341 S C 0.359 174.963 174.600 0.008 0.000 1.132 341 S CA -0.768 57.438 58.200 0.011 0.000 1.046 341 S CB 1.250 64.446 63.200 -0.005 0.000 1.004 341 S HN 0.245 nan 8.310 nan 0.000 0.483 342 L N 5.914 127.151 121.223 0.023 0.000 2.341 342 L HA 0.369 4.711 4.340 0.004 0.000 0.214 342 L C 1.668 178.539 176.870 0.001 0.000 1.115 342 L CA 1.335 56.186 54.840 0.019 0.000 0.820 342 L CB -0.454 41.630 42.059 0.042 0.000 0.944 342 L HN 0.812 nan 8.230 nan 0.000 0.452 343 L N -1.516 119.712 121.223 0.009 0.000 2.027 343 L HA -0.194 4.149 4.340 0.004 0.000 0.206 343 L C 2.357 179.198 176.870 -0.049 0.000 1.074 343 L CA 0.901 55.728 54.840 -0.022 0.000 0.745 343 L CB -0.572 41.490 42.059 0.005 0.000 0.898 343 L HN 0.302 nan 8.230 nan 0.000 0.433 344 L N -0.593 120.603 121.223 -0.045 0.000 2.083 344 L HA -0.168 4.175 4.340 0.004 0.000 0.209 344 L C 2.406 179.215 176.870 -0.102 0.000 1.083 344 L CA 1.947 56.740 54.840 -0.079 0.000 0.752 344 L CB -0.742 41.269 42.059 -0.081 0.000 0.899 344 L HN 0.134 nan 8.230 nan 0.000 0.433 345 T N -0.385 114.123 114.554 -0.077 0.000 2.720 345 T HA -0.232 4.120 4.350 0.004 0.000 0.268 345 T C 1.908 176.549 174.700 -0.098 0.000 1.037 345 T CA 2.127 64.177 62.100 -0.083 0.000 1.144 345 T CB -0.220 68.624 68.868 -0.041 0.000 0.864 345 T HN 0.338 nan 8.240 nan 0.000 0.444 346 M N 1.169 120.721 119.600 -0.079 0.000 2.175 346 M HA -0.075 4.407 4.480 0.004 0.000 0.264 346 M C 2.474 178.713 176.300 -0.101 0.000 1.063 346 M CA 1.106 56.357 55.300 -0.082 0.000 1.119 346 M CB -0.482 32.070 32.600 -0.080 0.000 1.377 346 M HN 0.258 nan 8.290 nan 0.000 0.415 347 N N 0.905 119.540 118.700 -0.108 0.000 2.166 347 N HA -0.141 4.602 4.740 0.004 0.000 0.186 347 N C 1.559 176.982 175.510 -0.146 0.000 1.019 347 N CA 1.376 54.358 53.050 -0.114 0.000 0.856 347 N CB -0.010 38.406 38.487 -0.118 0.000 0.993 347 N HN 0.388 nan 8.380 nan 0.000 0.426 348 M N -0.137 119.350 119.600 -0.188 0.000 2.254 348 M HA 0.001 4.483 4.480 0.004 0.000 0.265 348 M C 2.314 178.399 176.300 -0.358 0.000 1.066 348 M CA 1.295 56.435 55.300 -0.266 0.000 1.123 348 M CB -0.372 32.050 32.600 -0.297 0.000 1.388 348 M HN 0.160 nan 8.290 nan 0.000 0.425 349 G N 0.230 108.864 108.800 -0.278 0.000 2.418 349 G HA2 -0.139 3.823 3.960 0.004 0.000 0.217 349 G HA3 -0.139 3.823 3.960 0.004 0.000 0.217 349 G C 1.617 176.442 174.900 -0.125 0.000 1.158 349 G CA 1.058 46.023 45.100 -0.225 0.000 0.771 349 G HN 0.524 nan 8.290 nan 0.000 0.545 350 A N 0.139 122.898 122.820 -0.102 0.000 1.874 350 A HA 0.086 4.408 4.320 0.004 0.000 0.214 350 A C 2.547 180.095 177.584 -0.059 0.000 1.189 350 A CA 2.282 54.285 52.037 -0.056 0.000 0.615 350 A CB -0.826 18.145 19.000 -0.047 0.000 0.830 350 A HN 0.270 nan 8.150 nan 0.000 0.443 351 T N 0.653 115.152 114.554 -0.092 0.000 2.701 351 T HA -0.056 4.296 4.350 0.004 0.000 0.263 351 T C 1.818 176.478 174.700 -0.067 0.000 1.040 351 T CA 1.617 63.675 62.100 -0.070 0.000 1.147 351 T CB -0.347 68.473 68.868 -0.080 0.000 0.865 351 T HN 0.331 nan 8.240 nan 0.000 0.426 352 L N -0.861 120.262 121.223 -0.167 0.000 2.202 352 L HA 0.183 4.525 4.340 0.004 0.000 0.205 352 L C 1.695 178.546 176.870 -0.032 0.000 1.083 352 L CA 0.798 55.539 54.840 -0.164 0.000 0.790 352 L CB -0.202 41.635 42.059 -0.369 0.000 0.942 352 L HN 0.189 nan 8.230 nan 0.000 0.452 353 F N -0.226 119.631 119.950 -0.155 0.000 2.695 353 F HA 0.239 4.768 4.527 0.005 0.000 0.303 353 F C 0.575 176.313 175.800 -0.103 0.000 1.091 353 F CA -0.834 57.062 58.000 -0.174 0.000 1.300 353 F CB -0.160 38.723 39.000 -0.196 0.000 1.071 353 F HN -0.049 nan 8.300 nan 0.000 0.578 354 R N -0.372 120.179 120.500 0.084 0.000 3.525 354 R HA -0.236 4.106 4.340 0.004 0.000 0.276 354 R C -0.303 176.017 176.300 0.033 0.000 1.116 354 R CA 0.308 56.431 56.100 0.039 0.000 0.745 354 R CB -3.012 27.307 30.300 0.032 0.000 1.185 354 R HN 0.352 nan 8.270 nan 0.000 0.454 355 M N 0.525 120.149 119.600 0.040 0.000 2.235 355 M HA 0.111 4.593 4.480 0.004 0.000 0.351 355 M C 1.357 177.656 176.300 -0.002 0.000 1.178 355 M CA 0.191 55.506 55.300 0.024 0.000 1.143 355 M CB 1.139 33.762 32.600 0.039 0.000 1.530 355 M HN 0.260 nan 8.290 nan 0.000 0.461 356 T N -0.468 114.080 114.554 -0.009 0.000 2.813 356 T HA 0.155 4.508 4.350 0.004 0.000 0.297 356 T C 1.175 175.856 174.700 -0.032 0.000 1.036 356 T CA -1.005 61.082 62.100 -0.021 0.000 1.044 356 T CB 0.680 69.535 68.868 -0.022 0.000 0.993 356 T HN 0.435 nan 8.240 nan 0.000 0.535 357 V N 1.126 121.013 119.914 -0.044 0.000 2.332 357 V HA -0.158 3.964 4.120 0.004 0.000 0.248 357 V C 2.847 178.902 176.094 -0.066 0.000 1.055 357 V CA 2.427 64.689 62.300 -0.063 0.000 1.038 357 V CB -1.061 30.713 31.823 -0.083 0.000 0.651 357 V HN 1.085 nan 8.190 nan 0.000 0.450 358 E N 0.082 120.249 120.200 -0.055 0.000 2.077 358 E HA -0.259 4.093 4.350 0.004 0.000 0.193 358 E C 2.130 178.710 176.600 -0.034 0.000 0.989 358 E CA 1.582 57.954 56.400 -0.047 0.000 0.800 358 E CB -0.085 29.594 29.700 -0.036 0.000 0.746 358 E HN 0.733 nan 8.360 nan 0.000 0.452 359 E N -0.182 120.002 120.200 -0.027 0.000 2.106 359 E HA -0.169 4.184 4.350 0.004 0.000 0.192 359 E C 2.292 178.882 176.600 -0.018 0.000 0.984 359 E CA 1.227 57.617 56.400 -0.017 0.000 0.806 359 E CB -0.094 29.600 29.700 -0.010 0.000 0.750 359 E HN 0.378 nan 8.360 nan 0.000 0.458 360 C N 0.685 119.969 119.300 -0.028 0.000 2.446 360 C HA -0.060 4.402 4.460 0.004 0.000 0.277 360 C C 2.588 177.553 174.990 -0.041 0.000 1.275 360 C CA 0.354 59.352 59.018 -0.034 0.000 1.727 360 C CB -0.807 26.904 27.740 -0.049 0.000 2.010 360 C HN 0.387 nan 8.230 nan 0.000 0.486 361 L N 0.286 121.476 121.223 -0.054 0.000 2.093 361 L HA -0.121 4.221 4.340 0.004 0.000 0.208 361 L C 2.650 179.507 176.870 -0.021 0.000 1.085 361 L CA 1.565 56.372 54.840 -0.055 0.000 0.755 361 L CB -0.943 41.067 42.059 -0.081 0.000 0.904 361 L HN 0.351 nan 8.230 nan 0.000 0.435 362 T N -0.215 114.330 114.554 -0.016 0.000 2.904 362 T HA -0.075 4.277 4.350 0.004 0.000 0.267 362 T C 1.969 176.671 174.700 0.004 0.000 1.059 362 T CA 1.052 63.151 62.100 -0.002 0.000 1.137 362 T CB -0.148 68.717 68.868 -0.004 0.000 0.879 362 T HN 0.409 nan 8.240 nan 0.000 0.467 363 A N 1.751 124.571 122.820 -0.000 0.000 2.070 363 A HA -0.067 4.255 4.320 0.004 0.000 0.220 363 A C 2.337 179.928 177.584 0.011 0.000 1.159 363 A CA 1.783 53.823 52.037 0.005 0.000 0.656 363 A CB -0.734 18.268 19.000 0.004 0.000 0.800 363 A HN 0.598 nan 8.150 nan 0.000 0.453 364 T N -4.577 109.986 114.554 0.013 0.000 3.085 364 T HA 0.228 4.580 4.350 0.004 0.000 0.264 364 T C 0.983 175.710 174.700 0.044 0.000 1.019 364 T CA 0.872 62.989 62.100 0.027 0.000 0.910 364 T CB 0.040 68.924 68.868 0.026 0.000 1.059 364 T HN 0.506 nan 8.240 nan 0.000 0.542 365 T N -0.403 114.175 114.554 0.039 0.000 3.216 365 T HA 0.332 4.685 4.350 0.004 0.000 0.167 365 T C 1.696 176.420 174.700 0.039 0.000 0.905 365 T CA -0.230 61.901 62.100 0.052 0.000 1.042 365 T CB 0.226 69.130 68.868 0.060 0.000 1.787 365 T HN 0.095 nan 8.240 nan 0.000 0.355 366 R N 1.215 121.734 120.500 0.031 0.000 2.080 366 R HA -0.030 4.313 4.340 0.004 0.000 0.236 366 R C 2.140 178.452 176.300 0.019 0.000 1.137 366 R CA 1.953 58.068 56.100 0.024 0.000 0.943 366 R CB -0.441 29.870 30.300 0.018 0.000 0.846 366 R HN 0.366 nan 8.270 nan 0.000 0.431 367 N N 0.203 118.913 118.700 0.015 0.000 2.381 367 N HA -0.093 4.649 4.740 0.004 0.000 0.182 367 N C 1.330 176.848 175.510 0.014 0.000 1.025 367 N CA 1.206 54.263 53.050 0.012 0.000 0.888 367 N CB -0.147 38.345 38.487 0.008 0.000 0.965 367 N HN 0.327 nan 8.380 nan 0.000 0.438 368 A N 0.742 123.573 122.820 0.019 0.000 1.897 368 A HA 0.149 4.471 4.320 0.004 0.000 0.215 368 A C 2.326 179.922 177.584 0.021 0.000 1.181 368 A CA 1.515 53.565 52.037 0.022 0.000 0.620 368 A CB -0.696 18.321 19.000 0.029 0.000 0.821 368 A HN 0.265 nan 8.150 nan 0.000 0.443 369 A N 0.022 122.856 122.820 0.024 0.000 1.902 369 A HA -0.176 4.147 4.320 0.004 0.000 0.217 369 A C 2.119 179.712 177.584 0.015 0.000 1.181 369 A CA 2.056 54.106 52.037 0.023 0.000 0.623 369 A CB -0.456 18.560 19.000 0.026 0.000 0.818 369 A HN 0.544 nan 8.150 nan 0.000 0.443 370 K N -0.264 120.143 120.400 0.013 0.000 2.057 370 K HA -0.051 4.271 4.320 0.004 0.000 0.207 370 K C 2.032 178.634 176.600 0.004 0.000 1.049 370 K CA 1.185 57.477 56.287 0.008 0.000 0.931 370 K CB -0.338 32.166 32.500 0.007 0.000 0.714 370 K HN 0.352 nan 8.250 nan 0.000 0.440 371 A N 0.699 123.523 122.820 0.006 0.000 2.076 371 A HA -0.085 4.237 4.320 0.004 0.000 0.220 371 A C 1.766 179.347 177.584 -0.004 0.000 1.160 371 A CA 1.171 53.210 52.037 0.003 0.000 0.653 371 A CB -0.325 18.680 19.000 0.008 0.000 0.801 371 A HN 0.354 nan 8.150 nan 0.000 0.455 372 L N -1.719 119.503 121.223 -0.001 0.000 2.640 372 L HA 0.268 4.610 4.340 0.004 0.000 0.230 372 L C 1.439 178.305 176.870 -0.006 0.000 1.123 372 L CA 0.380 55.217 54.840 -0.006 0.000 0.900 372 L CB 0.009 42.069 42.059 0.001 0.000 1.146 372 L HN 0.517 nan 8.230 nan 0.000 0.484 373 G N 1.128 109.926 108.800 -0.003 0.000 2.198 373 G HA2 -0.280 3.682 3.960 0.004 0.000 0.257 373 G HA3 -0.280 3.682 3.960 0.004 0.000 0.257 373 G C 0.372 175.274 174.900 0.002 0.000 1.042 373 G CA 0.232 45.330 45.100 -0.003 0.000 0.791 373 G HN 0.358 nan 8.290 nan 0.000 0.502 374 L N -0.808 120.419 121.223 0.007 0.000 3.014 374 L HA 0.347 4.689 4.340 0.004 0.000 0.263 374 L C 2.162 179.040 176.870 0.012 0.000 1.207 374 L CA -0.434 54.413 54.840 0.011 0.000 1.017 374 L CB 0.343 42.413 42.059 0.018 0.000 1.360 374 L HN 0.224 nan 8.230 nan 0.000 0.560 375 L N 1.148 122.377 121.223 0.010 0.000 2.131 375 L HA -0.093 4.249 4.340 0.004 0.000 0.210 375 L C 2.493 179.368 176.870 0.009 0.000 1.092 375 L CA 2.091 56.937 54.840 0.011 0.000 0.759 375 L CB -0.314 41.751 42.059 0.009 0.000 0.903 375 L HN 0.277 nan 8.230 nan 0.000 0.435 376 A N -1.476 121.347 122.820 0.006 0.000 2.168 376 A HA -0.119 4.204 4.320 0.004 0.000 0.215 376 A C 2.149 179.735 177.584 0.003 0.000 1.152 376 A CA 1.382 53.421 52.037 0.004 0.000 0.716 376 A CB -0.357 18.644 19.000 0.003 0.000 0.794 376 A HN 0.523 nan 8.150 nan 0.000 0.465 377 E N -1.580 118.623 120.200 0.004 0.000 2.290 377 E HA 0.137 4.490 4.350 0.004 0.000 0.197 377 E C 0.735 177.335 176.600 0.001 0.000 0.948 377 E CA 1.231 57.632 56.400 0.000 0.000 0.895 377 E CB 0.380 30.081 29.700 0.002 0.000 0.865 377 E HN 0.339 nan 8.360 nan 0.000 0.486 378 T N -3.426 111.135 114.554 0.013 0.000 2.653 378 T HA 0.486 4.838 4.350 0.004 0.000 0.306 378 T C 0.050 174.768 174.700 0.031 0.000 1.426 378 T CA 0.141 62.254 62.100 0.022 0.000 1.008 378 T CB 0.773 69.660 68.868 0.032 0.000 1.692 378 T HN 0.391 nan 8.240 nan 0.000 0.483 379 G N 0.372 109.199 108.800 0.045 0.000 2.213 379 G HA2 -0.044 3.918 3.960 0.004 0.000 0.226 379 G HA3 -0.044 3.918 3.960 0.004 0.000 0.226 379 G C 0.273 175.201 174.900 0.046 0.000 0.992 379 G CA 0.883 46.011 45.100 0.047 0.000 0.632 379 G HN 1.938 nan 8.290 nan 0.000 0.511 380 T N -1.853 112.724 114.554 0.038 0.000 2.853 380 T HA 0.647 4.999 4.350 0.004 0.000 0.311 380 T C -0.370 174.341 174.700 0.019 0.000 1.307 380 T CA -0.804 61.313 62.100 0.030 0.000 1.019 380 T CB 1.769 70.645 68.868 0.014 0.000 1.264 380 T HN 0.646 nan 8.240 nan 0.000 0.497 381 L N 2.044 123.267 121.223 0.001 0.000 2.389 381 L HA 0.464 4.806 4.340 0.004 0.000 0.265 381 L C 0.246 177.076 176.870 -0.068 0.000 1.167 381 L CA -0.176 54.641 54.840 -0.038 0.000 1.045 381 L CB -0.386 41.625 42.059 -0.079 0.000 1.351 381 L HN 0.665 nan 8.230 nan 0.000 0.419 382 E N 1.409 121.581 120.200 -0.046 0.000 2.317 382 E HA 0.593 4.946 4.350 0.004 0.000 0.270 382 E C -0.561 176.016 176.600 -0.037 0.000 0.885 382 E CA -0.981 55.387 56.400 -0.052 0.000 0.760 382 E CB 2.494 32.177 29.700 -0.028 0.000 1.227 382 E HN 0.486 nan 8.360 nan 0.000 0.434 383 A N 0.973 123.770 122.820 -0.037 0.000 2.540 383 A HA 0.415 4.738 4.320 0.004 0.000 0.239 383 A C 1.220 178.810 177.584 0.010 0.000 1.061 383 A CA 1.126 53.163 52.037 -0.001 0.000 0.758 383 A CB -0.471 18.545 19.000 0.026 0.000 0.991 383 A HN 0.899 nan 8.150 nan 0.000 0.502 384 G N 1.592 110.403 108.800 0.018 0.000 2.284 384 G HA2 -0.220 3.743 3.960 0.004 0.000 0.230 384 G HA3 -0.220 3.743 3.960 0.004 0.000 0.230 384 G C 0.481 175.384 174.900 0.005 0.000 1.021 384 G CA 0.598 45.707 45.100 0.014 0.000 0.619 384 G HN 0.849 nan 8.290 nan 0.000 0.510 385 K N 0.784 121.186 120.400 0.003 0.000 2.117 385 K HA 0.554 4.877 4.320 0.004 0.000 0.240 385 K C 0.621 177.214 176.600 -0.011 0.000 1.031 385 K CA 0.148 56.433 56.287 -0.003 0.000 0.909 385 K CB 0.891 33.392 32.500 0.001 0.000 1.097 385 K HN 0.167 nan 8.250 nan 0.000 0.492 386 S N 0.237 115.920 115.700 -0.029 0.000 2.562 386 S HA 0.130 4.603 4.470 0.004 0.000 0.281 386 S C -0.085 174.485 174.600 -0.050 0.000 1.333 386 S CA -0.652 57.505 58.200 -0.071 0.000 1.052 386 S CB 0.355 63.485 63.200 -0.117 0.000 0.884 386 S HN 0.577 nan 8.310 nan 0.000 0.506 387 A N 4.673 127.452 122.820 -0.068 0.000 3.026 387 A HA 0.266 4.588 4.320 0.004 0.000 0.272 387 A C -0.547 176.947 177.584 -0.150 0.000 1.782 387 A CA -0.473 51.562 52.037 -0.004 0.000 1.451 387 A CB -0.459 18.554 19.000 0.022 0.000 1.081 387 A HN 0.749 nan 8.150 nan 0.000 0.611 388 D N 2.298 122.663 120.400 -0.059 0.000 2.441 388 D HA 0.560 5.203 4.640 0.004 0.000 0.231 388 D C -0.537 175.776 176.300 0.021 0.000 1.073 388 D CA 0.233 54.171 54.000 -0.102 0.000 0.850 388 D CB 0.773 41.583 40.800 0.016 0.000 1.062 388 D HN 0.418 nan 8.370 nan 0.000 0.524 389 F N -0.437 119.447 119.950 -0.110 0.000 2.645 389 F HA 0.815 5.344 4.527 0.004 0.000 0.310 389 F C -1.390 174.316 175.800 -0.156 0.000 1.102 389 F CA -1.600 56.332 58.000 -0.114 0.000 0.952 389 F CB 1.191 40.091 39.000 -0.167 0.000 1.326 389 F HN 0.204 nan 8.300 nan 0.000 0.456 390 A N 2.406 125.296 122.820 0.116 0.000 2.331 390 A HA 0.822 5.145 4.320 0.004 0.000 0.320 390 A C -1.073 176.361 177.584 -0.249 0.000 1.138 390 A CA -0.782 51.120 52.037 -0.225 0.000 0.790 390 A CB 0.758 19.488 19.000 -0.450 0.000 1.206 390 A HN 0.764 nan 8.150 nan 0.000 0.470 391 I N 1.731 122.127 120.570 -0.291 0.000 2.336 391 I HA 0.374 4.547 4.170 0.004 0.000 0.292 391 I C -0.933 175.079 176.117 -0.176 0.000 0.991 391 I CA -0.243 61.032 61.300 -0.042 0.000 1.227 391 I CB 1.140 39.262 38.000 0.203 0.000 1.366 391 I HN 0.735 nan 8.210 nan 0.000 0.466 392 W N 4.041 125.486 121.300 0.241 0.000 2.719 392 W HA 0.374 5.037 4.660 0.003 0.000 0.352 392 W C -0.182 176.456 176.519 0.199 0.000 1.085 392 W CA -0.655 56.819 57.345 0.214 0.000 1.187 392 W CB 0.875 30.443 29.460 0.181 0.000 1.417 392 W HN 0.290 nan 8.180 nan 0.000 0.557 393 D N 2.960 123.629 120.400 0.448 0.000 2.767 393 D HA 0.248 4.890 4.640 0.004 0.000 0.241 393 D C -0.250 176.232 176.300 0.303 0.000 1.187 393 D CA 0.157 54.337 54.000 0.299 0.000 0.999 393 D CB -0.190 40.763 40.800 0.255 0.000 1.042 393 D HN 0.349 nan 8.370 nan 0.000 0.510 394 I N -3.005 117.750 120.570 0.308 0.000 3.145 394 I HA 0.445 4.617 4.170 0.004 0.000 0.313 394 I C 0.491 176.753 176.117 0.243 0.000 1.122 394 I CA -0.857 60.567 61.300 0.206 0.000 0.987 394 I CB 2.257 40.304 38.000 0.079 0.000 1.236 394 I HN -0.353 nan 8.210 nan 0.000 0.453 395 E N 1.240 121.522 120.200 0.136 0.000 2.447 395 E HA 0.274 4.626 4.350 0.004 0.000 0.204 395 E C -0.240 176.439 176.600 0.130 0.000 0.977 395 E CA 0.273 56.790 56.400 0.194 0.000 0.950 395 E CB 0.702 30.464 29.700 0.102 0.000 0.975 395 E HN 0.566 nan 8.360 nan 0.000 0.496 396 R N -0.294 120.099 120.500 -0.179 0.000 2.604 396 R HA 0.243 4.586 4.340 0.004 0.000 0.270 396 R C -2.278 173.644 176.300 -0.631 0.000 1.052 396 R CA -1.553 54.274 56.100 -0.454 0.000 0.902 396 R CB 2.144 32.296 30.300 -0.247 0.000 1.233 396 R HN -0.255 nan 8.270 nan 0.000 0.455 397 P HA -0.202 nan 4.420 nan 0.000 0.216 397 P C 0.862 177.919 177.300 -0.406 0.000 1.150 397 P CA 1.549 64.248 63.100 -0.670 0.000 0.837 397 P CB 0.245 31.549 31.700 -0.661 0.000 0.786 398 A N 0.020 122.646 122.820 -0.324 0.000 2.032 398 A HA -0.288 4.034 4.320 0.004 0.000 0.221 398 A C 2.083 179.584 177.584 -0.138 0.000 1.165 398 A CA 1.792 53.704 52.037 -0.208 0.000 0.645 398 A CB -1.243 17.640 19.000 -0.195 0.000 0.807 398 A HN 0.241 nan 8.150 nan 0.000 0.453 399 E N -0.282 119.825 120.200 -0.154 0.000 2.160 399 E HA -0.163 4.189 4.350 0.004 0.000 0.195 399 E C 1.684 178.268 176.600 -0.026 0.000 0.991 399 E CA 1.097 57.495 56.400 -0.004 0.000 0.810 399 E CB -0.303 29.383 29.700 -0.024 0.000 0.742 399 E HN 0.703 nan 8.360 nan 0.000 0.466 400 L N 0.181 121.284 121.223 -0.200 0.000 2.362 400 L HA -0.112 4.230 4.340 0.004 0.000 0.219 400 L C 1.972 178.739 176.870 -0.171 0.000 1.134 400 L CA 0.442 55.113 54.840 -0.282 0.000 0.807 400 L CB -0.028 41.703 42.059 -0.546 0.000 0.927 400 L HN 0.059 nan 8.230 nan 0.000 0.447 401 V N -2.130 117.719 119.914 -0.107 0.000 3.085 401 V HA -0.151 3.971 4.120 0.004 0.000 0.245 401 V C 1.956 178.041 176.094 -0.015 0.000 1.114 401 V CA 0.441 62.697 62.300 -0.072 0.000 1.108 401 V CB -0.367 31.412 31.823 -0.072 0.000 0.798 401 V HN 0.327 nan 8.190 nan 0.000 0.471 402 Y N 2.471 122.702 120.300 -0.114 0.000 2.145 402 Y HA -0.016 4.536 4.550 0.004 0.000 0.286 402 Y C 1.567 177.419 175.900 -0.080 0.000 1.145 402 Y CA 0.977 59.020 58.100 -0.095 0.000 1.148 402 Y CB -0.109 38.290 38.460 -0.102 0.000 0.981 402 Y HN 0.102 nan 8.280 nan 0.000 0.507 403 R N 1.003 121.299 120.500 -0.339 0.000 2.615 403 R HA 0.388 4.731 4.340 0.004 0.000 0.270 403 R C -0.914 175.256 176.300 -0.217 0.000 1.081 403 R CA -0.193 55.655 56.100 -0.419 0.000 1.154 403 R CB 0.667 30.852 30.300 -0.192 0.000 1.063 403 R HN 0.219 nan 8.270 nan 0.000 0.519 404 I N 0.665 121.119 120.570 -0.192 0.000 2.411 404 I HA 0.230 4.402 4.170 0.004 0.000 0.284 404 I C 0.593 176.690 176.117 -0.033 0.000 1.012 404 I CA -0.289 60.944 61.300 -0.113 0.000 1.119 404 I CB 1.863 39.785 38.000 -0.130 0.000 1.261 404 I HN 0.913 nan 8.210 nan 0.000 0.448 405 G N 4.751 113.552 108.800 0.001 0.000 2.289 405 G HA2 -0.285 3.677 3.960 0.004 0.000 0.280 405 G HA3 -0.285 3.677 3.960 0.004 0.000 0.280 405 G C -0.665 174.318 174.900 0.139 0.000 1.089 405 G CA -0.227 44.897 45.100 0.039 0.000 0.939 405 G HN 0.490 nan 8.290 nan 0.000 0.499 406 F N 0.011 119.940 119.950 -0.035 0.000 2.599 406 F HA 0.742 5.271 4.527 0.003 0.000 0.311 406 F C -0.716 175.104 175.800 0.033 0.000 1.076 406 F CA -1.966 56.031 58.000 -0.005 0.000 0.937 406 F CB 2.250 41.238 39.000 -0.020 0.000 1.282 406 F HN 0.030 nan 8.300 nan 0.000 0.460 407 N N 5.174 123.472 118.700 -0.671 0.000 2.617 407 N HA 0.402 5.144 4.740 0.004 0.000 0.263 407 N C -2.507 172.787 175.510 -0.360 0.000 1.074 407 N CA -1.912 50.958 53.050 -0.301 0.000 0.841 407 N CB 1.743 40.122 38.487 -0.180 0.000 1.221 407 N HN 0.353 nan 8.380 nan 0.000 0.529 408 P HA 0.116 nan 4.420 nan 0.000 0.256 408 P C 0.170 177.713 177.300 0.405 0.000 1.384 408 P CA -0.331 62.930 63.100 0.269 0.000 0.879 408 P CB 0.200 32.185 31.700 0.475 0.000 1.403 409 L N 1.038 122.437 121.223 0.293 0.000 2.499 409 L HA 0.035 4.378 4.340 0.004 0.000 0.273 409 L C 1.705 178.589 176.870 0.022 0.000 1.195 409 L CA 0.612 55.448 54.840 -0.006 0.000 0.882 409 L CB 0.281 42.208 42.059 -0.220 0.000 1.133 409 L HN -0.034 nan 8.230 nan 0.000 0.483 410 H N 4.312 123.319 119.070 -0.105 0.000 2.406 410 H HA 0.617 5.175 4.556 0.004 0.000 0.304 410 H C -0.258 175.030 175.328 -0.067 0.000 1.042 410 H CA 0.662 56.692 56.048 -0.030 0.000 1.360 410 H CB 0.549 30.334 29.762 0.038 0.000 1.448 410 H HN 0.677 nan 8.280 nan 0.000 0.553 411 A N -0.147 122.532 122.820 -0.235 0.000 2.589 411 A HA 0.557 4.879 4.320 0.004 0.000 0.296 411 A C -1.305 176.132 177.584 -0.244 0.000 1.062 411 A CA -0.806 51.075 52.037 -0.260 0.000 0.686 411 A CB 1.253 20.120 19.000 -0.223 0.000 1.282 411 A HN 0.341 nan 8.150 nan 0.000 0.404 412 R N 1.888 122.251 120.500 -0.227 0.000 2.437 412 R HA 0.644 4.987 4.340 0.004 0.000 0.310 412 R C -1.411 174.733 176.300 -0.261 0.000 0.955 412 R CA -0.612 55.338 56.100 -0.250 0.000 0.851 412 R CB 0.797 30.970 30.300 -0.211 0.000 1.161 412 R HN 0.593 nan 8.270 nan 0.000 0.446 413 I N 5.552 125.850 120.570 -0.453 0.000 2.362 413 I HA 0.296 4.469 4.170 0.004 0.000 0.289 413 I C -0.892 174.976 176.117 -0.416 0.000 0.994 413 I CA -0.647 60.281 61.300 -0.619 0.000 1.158 413 I CB 1.221 38.264 38.000 -1.595 0.000 1.315 413 I HN 0.583 nan 8.210 nan 0.000 0.451 414 F N 6.846 126.584 119.950 -0.354 0.000 2.460 414 F HA 0.392 4.921 4.527 0.004 0.000 0.341 414 F C 0.688 176.384 175.800 -0.175 0.000 1.130 414 F CA -0.874 56.983 58.000 -0.237 0.000 0.962 414 F CB 0.645 39.551 39.000 -0.155 0.000 1.171 414 F HN 0.541 nan 8.300 nan 0.000 0.436 415 K N 4.626 124.602 120.400 -0.707 0.000 3.096 415 K HA -0.198 4.124 4.320 0.004 0.000 0.266 415 K C 0.904 177.347 176.600 -0.261 0.000 1.043 415 K CA 0.748 56.707 56.287 -0.547 0.000 0.758 415 K CB -1.678 30.403 32.500 -0.698 0.000 1.260 415 K HN 1.363 nan 8.250 nan 0.000 0.481 416 G N -0.467 108.196 108.800 -0.229 0.000 2.184 416 G HA2 -0.333 3.629 3.960 0.004 0.000 0.264 416 G HA3 -0.333 3.629 3.960 0.004 0.000 0.264 416 G C -0.101 174.818 174.900 0.032 0.000 0.975 416 G CA 0.607 45.665 45.100 -0.069 0.000 0.642 416 G HN 0.354 nan 8.290 nan 0.000 0.536 417 Q N 0.019 119.795 119.800 -0.041 0.000 2.293 417 Q HA 0.466 4.808 4.340 0.004 0.000 0.261 417 Q C -0.029 175.981 176.000 0.017 0.000 0.960 417 Q CA -0.747 55.080 55.803 0.040 0.000 0.882 417 Q CB 1.877 30.635 28.738 0.034 0.000 1.275 417 Q HN 0.284 nan 8.270 nan 0.000 0.445 418 K N 1.693 122.147 120.400 0.090 0.000 2.383 418 K HA 0.072 4.395 4.320 0.004 0.000 0.286 418 K C 0.665 177.272 176.600 0.010 0.000 1.051 418 K CA 0.054 56.373 56.287 0.053 0.000 0.974 418 K CB 0.378 32.958 32.500 0.134 0.000 0.968 418 K HN 0.474 nan 8.250 nan 0.000 0.475 419 V N 0.499 120.395 119.914 -0.030 0.000 2.602 419 V HA 0.197 4.319 4.120 0.004 0.000 0.235 419 V C 0.934 176.994 176.094 -0.056 0.000 1.087 419 V CA 0.449 62.729 62.300 -0.033 0.000 1.117 419 V CB -0.014 31.786 31.823 -0.039 0.000 0.820 419 V HN 0.576 nan 8.190 nan 0.000 0.490 420 S N 0.000 115.647 115.700 -0.088 0.000 2.498 420 S HA 0.000 4.472 4.470 0.004 0.000 0.327 420 S CA 0.000 58.138 58.200 -0.104 0.000 1.107 420 S CB 0.000 63.125 63.200 -0.124 0.000 0.593 420 S HN 0.000 nan 8.310 nan 0.000 0.517