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 2v6m_1_B DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVRAX XGSYGDLEGA RAVVLAAGVX XXXXXXXRLQ LLDRNAQVFA DATA SEQUENCE QVVPRVLEAA EAVLLVATNP VDVMTQVAYR LSGLPPGRVV GSGTILDTAR DATA SEQUENCE FRALLAEYLR VAPQSVHAYV LGEHGDSEVL VWSSAQVPLE FAEARGRALS DATA SEQUENCE PEDRARIDEG VRRAAYRIIE GKGATYYGIG AGLARLVRAI LTDEKGVYTV DATA SEQUENCE SAFTPEVEGV LEXVSLSLPR ILGAGGVEXG TVYPSLSPEE REALRRSAEI DATA SEQUENCE LKEAAFALGF 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.314 176.300 0.023 0.000 1.140 22 M CA 0.000 55.314 55.300 0.023 0.000 0.988 22 M CB 0.000 32.606 32.600 0.010 0.000 1.302 23 K N 1.900 122.307 120.400 0.012 0.000 2.182 23 K HA 0.851 5.171 4.320 0.001 0.000 0.262 23 K C -1.517 175.072 176.600 -0.019 0.000 0.957 23 K CA -0.461 55.823 56.287 -0.004 0.000 0.842 23 K CB 1.446 33.939 32.500 -0.011 0.000 1.099 23 K HN 0.570 nan 8.250 nan 0.000 0.438 24 V N 2.547 122.442 119.914 -0.031 0.000 2.555 24 V HA 0.543 4.664 4.120 0.001 0.000 0.302 24 V C 0.369 176.431 176.094 -0.053 0.000 1.038 24 V CA -0.778 61.501 62.300 -0.035 0.000 0.887 24 V CB 1.709 33.515 31.823 -0.029 0.000 0.991 24 V HN 0.955 nan 8.190 nan 0.000 0.434 25 G N 3.574 112.344 108.800 -0.051 0.000 2.417 25 G HA2 0.800 4.761 3.960 0.001 0.000 0.334 25 G HA3 0.800 4.761 3.960 0.001 0.000 0.334 25 G C -1.118 173.746 174.900 -0.061 0.000 1.150 25 G CA -0.554 44.508 45.100 -0.063 0.000 0.923 25 G HN 0.601 nan 8.290 nan 0.000 0.485 26 I N 1.121 121.646 120.570 -0.075 0.000 2.512 26 I HA 0.229 4.399 4.170 0.001 0.000 0.287 26 I C -0.719 175.344 176.117 -0.090 0.000 1.069 26 I CA -0.886 60.372 61.300 -0.070 0.000 1.056 26 I CB 2.491 40.453 38.000 -0.064 0.000 1.229 26 I HN 0.082 nan 8.210 nan 0.000 0.429 27 V N 4.962 124.828 119.914 -0.081 0.000 2.350 27 V HA 0.817 4.938 4.120 0.001 0.000 0.276 27 V C 0.477 176.530 176.094 -0.067 0.000 1.028 27 V CA -0.376 61.867 62.300 -0.096 0.000 0.860 27 V CB 0.954 32.739 31.823 -0.062 0.000 0.990 27 V HN 1.054 nan 8.190 nan 0.000 0.453 28 G N 3.316 112.070 108.800 -0.075 0.000 3.199 28 G HA2 -0.098 3.862 3.960 0.001 0.000 0.680 28 G HA3 -0.098 3.862 3.960 0.001 0.000 0.680 28 G C -0.087 174.770 174.900 -0.071 0.000 1.197 28 G CA -0.113 44.957 45.100 -0.049 0.000 1.143 28 G HN 0.827 nan 8.290 nan 0.000 0.492 29 S N 1.308 116.965 115.700 -0.072 0.000 2.526 29 S HA 0.559 5.030 4.470 0.001 0.000 0.247 29 S C 1.534 176.058 174.600 -0.127 0.000 1.076 29 S CA 0.871 59.012 58.200 -0.098 0.000 1.105 29 S CB -0.594 62.587 63.200 -0.031 0.000 0.793 29 S HN 1.544 nan 8.310 nan 0.000 0.458 30 G N 1.454 110.177 108.800 -0.129 0.000 2.546 30 G HA2 0.256 4.216 3.960 0.001 0.000 0.239 30 G HA3 0.256 4.216 3.960 0.001 0.000 0.239 30 G C 1.081 175.806 174.900 -0.292 0.000 1.476 30 G CA -0.248 44.766 45.100 -0.144 0.000 1.064 30 G HN 0.358 nan 8.290 nan 0.000 0.561 31 M N -0.801 118.610 119.600 -0.315 0.000 2.156 31 M HA -0.016 4.465 4.480 0.001 0.000 0.264 31 M C 2.769 178.851 176.300 -0.363 0.000 1.067 31 M CA 0.709 55.681 55.300 -0.548 0.000 1.131 31 M CB -1.351 30.678 32.600 -0.952 0.000 1.368 31 M HN 0.208 nan 8.290 nan 0.000 0.416 32 V N 0.383 120.200 119.914 -0.162 0.000 2.295 32 V HA -0.197 3.924 4.120 0.001 0.000 0.246 32 V C 2.619 178.680 176.094 -0.055 0.000 1.049 32 V CA 2.188 64.471 62.300 -0.028 0.000 1.024 32 V CB -1.673 30.160 31.823 0.017 0.000 0.648 32 V HN 0.554 nan 8.190 nan 0.000 0.447 33 G N -0.070 108.671 108.800 -0.098 0.000 2.402 33 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 33 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 33 G C 1.871 176.693 174.900 -0.129 0.000 1.162 33 G CA 1.305 46.349 45.100 -0.095 0.000 0.777 33 G HN 0.640 nan 8.290 nan 0.000 0.539 34 S N 0.907 116.450 115.700 -0.260 0.000 2.428 34 S HA 0.270 4.741 4.470 0.001 0.000 0.230 34 S C 2.525 177.054 174.600 -0.118 0.000 1.014 34 S CA 1.284 59.295 58.200 -0.314 0.000 0.957 34 S CB -0.233 62.446 63.200 -0.869 0.000 0.784 34 S HN 0.522 nan 8.310 nan 0.000 0.499 35 A N 1.636 124.416 122.820 -0.067 0.000 1.968 35 A HA 0.047 4.368 4.320 0.001 0.000 0.217 35 A C 2.351 180.044 177.584 0.183 0.000 1.169 35 A CA 1.766 53.890 52.037 0.144 0.000 0.638 35 A CB -1.475 17.652 19.000 0.212 0.000 0.812 35 A HN 0.550 nan 8.150 nan 0.000 0.446 36 T N 0.385 114.992 114.554 0.088 0.000 2.746 36 T HA -0.036 4.315 4.350 0.001 0.000 0.267 36 T C 2.243 176.989 174.700 0.076 0.000 1.039 36 T CA 1.550 63.693 62.100 0.071 0.000 1.142 36 T CB -0.422 68.461 68.868 0.025 0.000 0.866 36 T HN 0.582 nan 8.240 nan 0.000 0.444 37 A N 0.520 123.378 122.820 0.064 0.000 1.902 37 A HA -0.118 4.203 4.320 0.001 0.000 0.217 37 A C 2.120 179.807 177.584 0.172 0.000 1.181 37 A CA 1.496 53.579 52.037 0.078 0.000 0.623 37 A CB -0.969 18.054 19.000 0.039 0.000 0.818 37 A HN 0.530 nan 8.150 nan 0.000 0.443 38 Y N 0.535 120.866 120.300 0.052 0.000 2.114 38 Y HA -0.068 4.483 4.550 0.002 0.000 0.284 38 Y C 2.770 178.724 175.900 0.090 0.000 1.143 38 Y CA 0.967 59.120 58.100 0.088 0.000 1.135 38 Y CB -0.902 37.629 38.460 0.119 0.000 0.980 38 Y HN 0.307 nan 8.280 nan 0.000 0.499 39 A N 0.194 123.099 122.820 0.140 0.000 1.908 39 A HA -0.185 4.136 4.320 0.001 0.000 0.218 39 A C 2.413 180.006 177.584 0.015 0.000 1.181 39 A CA 1.853 53.905 52.037 0.025 0.000 0.627 39 A CB -1.232 17.810 19.000 0.070 0.000 0.818 39 A HN 0.538 nan 8.150 nan 0.000 0.445 40 L N -0.966 120.283 121.223 0.043 0.000 2.042 40 L HA -0.255 4.086 4.340 0.001 0.000 0.210 40 L C 3.089 179.982 176.870 0.039 0.000 1.076 40 L CA 1.308 56.165 54.840 0.029 0.000 0.749 40 L CB -0.499 41.578 42.059 0.030 0.000 0.893 40 L HN 0.475 nan 8.230 nan 0.000 0.432 41 A N -0.696 122.164 122.820 0.066 0.000 1.898 41 A HA -0.114 4.206 4.320 0.001 0.000 0.214 41 A C 2.083 179.725 177.584 0.097 0.000 1.183 41 A CA 0.962 53.056 52.037 0.096 0.000 0.622 41 A CB -0.470 18.616 19.000 0.143 0.000 0.824 41 A HN 0.227 nan 8.150 nan 0.000 0.444 42 L N -0.281 120.941 121.223 -0.002 0.000 2.083 42 L HA -0.071 4.270 4.340 0.001 0.000 0.209 42 L C 2.224 179.171 176.870 0.128 0.000 1.083 42 L CA 1.480 56.306 54.840 -0.024 0.000 0.752 42 L CB -0.849 41.064 42.059 -0.244 0.000 0.899 42 L HN 0.364 nan 8.230 nan 0.000 0.433 43 L N -1.145 120.115 121.223 0.062 0.000 2.492 43 L HA 0.174 4.515 4.340 0.001 0.000 0.223 43 L C 1.301 178.120 176.870 -0.086 0.000 1.132 43 L CA 0.506 55.365 54.840 0.032 0.000 0.850 43 L CB -0.562 41.492 42.059 -0.008 0.000 0.966 43 L HN 0.471 nan 8.230 nan 0.000 0.454 44 G N 0.193 108.967 108.800 -0.043 0.000 2.273 44 G HA2 -0.241 3.720 3.960 0.001 0.000 0.280 44 G HA3 -0.241 3.720 3.960 0.001 0.000 0.280 44 G C 0.677 175.485 174.900 -0.153 0.000 1.047 44 G CA 0.370 45.346 45.100 -0.207 0.000 0.869 44 G HN 0.147 nan 8.290 nan 0.000 0.502 45 V N -0.815 119.058 119.914 -0.068 0.000 2.453 45 V HA 0.387 4.508 4.120 0.001 0.000 0.247 45 V C 1.726 177.800 176.094 -0.033 0.000 1.048 45 V CA 2.401 64.670 62.300 -0.052 0.000 1.049 45 V CB -0.165 31.640 31.823 -0.031 0.000 0.672 45 V HN 1.554 nan 8.190 nan 0.000 0.457 46 A N -0.932 121.881 122.820 -0.013 0.000 2.515 46 A HA 0.693 5.014 4.320 0.001 0.000 0.298 46 A C 0.476 178.079 177.584 0.031 0.000 1.059 46 A CA -0.583 51.456 52.037 0.004 0.000 0.698 46 A CB 1.502 20.504 19.000 0.003 0.000 1.289 46 A HN 0.004 nan 8.150 nan 0.000 0.404 47 R N 0.498 121.026 120.500 0.045 0.000 2.236 47 R HA 0.087 4.428 4.340 0.001 0.000 0.208 47 R C 0.240 176.620 176.300 0.134 0.000 1.036 47 R CA 1.845 57.996 56.100 0.084 0.000 1.001 47 R CB 0.088 30.436 30.300 0.079 0.000 0.896 47 R HN 0.762 nan 8.270 nan 0.000 0.464 48 E N -0.658 119.596 120.200 0.091 0.000 2.304 48 E HA 0.349 4.699 4.350 0.001 0.000 0.277 48 E C -1.749 174.833 176.600 -0.029 0.000 0.898 48 E CA -0.764 55.676 56.400 0.067 0.000 0.764 48 E CB 1.897 31.654 29.700 0.095 0.000 1.216 48 E HN -0.082 nan 8.360 nan 0.000 0.419 49 V N 4.147 124.006 119.914 -0.092 0.000 2.525 49 V HA 0.388 4.509 4.120 0.001 0.000 0.299 49 V C -0.646 175.342 176.094 -0.177 0.000 1.034 49 V CA -0.813 61.429 62.300 -0.097 0.000 0.863 49 V CB 1.783 33.583 31.823 -0.038 0.000 0.999 49 V HN 0.507 nan 8.190 nan 0.000 0.423 50 V N 6.377 126.192 119.914 -0.164 0.000 2.357 50 V HA 0.472 4.593 4.120 0.001 0.000 0.284 50 V C -0.195 175.811 176.094 -0.146 0.000 1.018 50 V CA -0.466 61.717 62.300 -0.195 0.000 0.841 50 V CB 1.579 33.288 31.823 -0.191 0.000 0.991 50 V HN 0.658 nan 8.190 nan 0.000 0.437 51 L N 5.574 126.714 121.223 -0.138 0.000 2.276 51 L HA 0.579 4.919 4.340 0.001 0.000 0.286 51 L C -0.431 176.353 176.870 -0.144 0.000 1.061 51 L CA -0.366 54.404 54.840 -0.118 0.000 0.807 51 L CB 1.665 43.675 42.059 -0.082 0.000 1.177 51 L HN 0.379 nan 8.230 nan 0.000 0.429 52 V N 2.781 122.591 119.914 -0.173 0.000 2.448 52 V HA 0.520 4.640 4.120 0.001 0.000 0.295 52 V C -0.633 175.327 176.094 -0.223 0.000 1.025 52 V CA -0.547 61.602 62.300 -0.252 0.000 0.859 52 V CB 1.816 33.392 31.823 -0.411 0.000 0.988 52 V HN 0.715 nan 8.190 nan 0.000 0.431 53 D N 2.947 123.232 120.400 -0.192 0.000 2.927 53 D HA 0.239 4.880 4.640 0.001 0.000 0.219 53 D C 0.673 176.913 176.300 -0.100 0.000 1.248 53 D CA -0.606 53.318 54.000 -0.126 0.000 0.861 53 D CB 2.817 43.574 40.800 -0.071 0.000 1.677 53 D HN 0.410 nan 8.370 nan 0.000 0.511 54 L N 1.645 122.830 121.223 -0.064 0.000 2.021 54 L HA -0.168 4.173 4.340 0.001 0.000 0.215 54 L C 0.753 177.608 176.870 -0.027 0.000 1.074 54 L CA 1.548 56.371 54.840 -0.029 0.000 0.760 54 L CB 0.060 42.120 42.059 0.002 0.000 0.889 54 L HN 0.435 nan 8.230 nan 0.000 0.433 55 D N -0.102 120.283 120.400 -0.025 0.000 2.470 55 D HA -0.032 4.609 4.640 0.001 0.000 0.226 55 D C 1.316 177.598 176.300 -0.029 0.000 1.196 55 D CA 0.033 54.021 54.000 -0.021 0.000 0.979 55 D CB 0.572 41.364 40.800 -0.014 0.000 1.059 55 D HN -0.024 nan 8.370 nan 0.000 0.515 56 R N 2.753 123.233 120.500 -0.033 0.000 2.096 56 R HA -0.121 4.220 4.340 0.001 0.000 0.235 56 R C 1.613 177.893 176.300 -0.032 0.000 1.127 56 R CA 1.025 57.101 56.100 -0.039 0.000 0.968 56 R CB -0.035 30.244 30.300 -0.035 0.000 0.861 56 R HN 0.363 nan 8.270 nan 0.000 0.440 57 K N 0.164 120.546 120.400 -0.029 0.000 2.155 57 K HA -0.094 4.226 4.320 0.001 0.000 0.203 57 K C 1.994 178.568 176.600 -0.044 0.000 1.052 57 K CA 0.627 56.894 56.287 -0.033 0.000 0.948 57 K CB -0.162 32.319 32.500 -0.032 0.000 0.728 57 K HN 0.017 nan 8.250 nan 0.000 0.448 58 L N 0.379 121.581 121.223 -0.036 0.000 2.056 58 L HA -0.051 4.289 4.340 0.001 0.000 0.207 58 L C 2.042 178.922 176.870 0.017 0.000 1.078 58 L CA 1.981 56.803 54.840 -0.031 0.000 0.749 58 L CB -0.592 41.470 42.059 0.004 0.000 0.901 58 L HN 0.153 nan 8.230 nan 0.000 0.433 59 A N -1.018 121.811 122.820 0.014 0.000 1.898 59 A HA -0.222 4.098 4.320 0.001 0.000 0.216 59 A C 2.180 179.773 177.584 0.014 0.000 1.181 59 A CA 1.666 53.716 52.037 0.022 0.000 0.620 59 A CB -0.580 18.400 19.000 -0.034 0.000 0.819 59 A HN 0.653 nan 8.150 nan 0.000 0.442 60 Q N -0.554 119.239 119.800 -0.012 0.000 2.124 60 Q HA -0.099 4.241 4.340 0.001 0.000 0.202 60 Q C 2.362 178.356 176.000 -0.011 0.000 0.977 60 Q CA 1.375 57.172 55.803 -0.010 0.000 0.850 60 Q CB -0.370 28.360 28.738 -0.014 0.000 0.901 60 Q HN 0.688 nan 8.270 nan 0.000 0.429 61 A N 0.586 123.375 122.820 -0.053 0.000 1.897 61 A HA -0.178 4.142 4.320 0.001 0.000 0.215 61 A C 1.758 179.271 177.584 -0.117 0.000 1.181 61 A CA 1.124 53.094 52.037 -0.112 0.000 0.620 61 A CB -0.556 18.327 19.000 -0.195 0.000 0.821 61 A HN 0.324 nan 8.150 nan 0.000 0.443 62 H N -0.189 118.851 119.070 -0.050 0.000 2.353 62 H HA -0.035 4.522 4.556 0.001 0.000 0.300 62 H C 2.595 177.909 175.328 -0.024 0.000 1.090 62 H CA 1.421 57.436 56.048 -0.055 0.000 1.327 62 H CB -0.519 29.203 29.762 -0.068 0.000 1.383 62 H HN 0.502 nan 8.280 nan 0.000 0.508 63 A N 0.951 123.835 122.820 0.107 0.000 1.883 63 A HA -0.233 4.088 4.320 0.001 0.000 0.217 63 A C 2.398 180.044 177.584 0.103 0.000 1.186 63 A CA 2.036 54.116 52.037 0.072 0.000 0.624 63 A CB -0.526 18.487 19.000 0.021 0.000 0.822 63 A HN 0.534 nan 8.150 nan 0.000 0.444 64 E N -0.643 119.612 120.200 0.092 0.000 2.106 64 E HA -0.232 4.119 4.350 0.001 0.000 0.192 64 E C 1.703 178.406 176.600 0.173 0.000 0.984 64 E CA 1.138 57.626 56.400 0.146 0.000 0.806 64 E CB -0.167 29.594 29.700 0.101 0.000 0.750 64 E HN 0.513 nan 8.360 nan 0.000 0.458 65 D N 0.541 120.973 120.400 0.053 0.000 2.116 65 D HA -0.182 4.459 4.640 0.001 0.000 0.193 65 D C 1.896 178.272 176.300 0.127 0.000 0.998 65 D CA 1.292 55.298 54.000 0.011 0.000 0.836 65 D CB -0.169 40.606 40.800 -0.040 0.000 0.951 65 D HN 0.313 nan 8.370 nan 0.000 0.449 66 I N -0.076 120.579 120.570 0.143 0.000 2.394 66 I HA -0.197 3.974 4.170 0.001 0.000 0.251 66 I C 2.257 178.529 176.117 0.258 0.000 1.136 66 I CA 0.189 61.616 61.300 0.211 0.000 1.425 66 I CB -0.070 38.050 38.000 0.201 0.000 1.079 66 I HN 0.084 nan 8.210 nan 0.000 0.425 67 L N 0.367 121.738 121.223 0.245 0.000 2.141 67 L HA -0.206 4.135 4.340 0.001 0.000 0.209 67 L C 2.304 179.294 176.870 0.200 0.000 1.094 67 L CA 1.999 56.972 54.840 0.221 0.000 0.763 67 L CB -0.754 41.434 42.059 0.214 0.000 0.908 67 L HN 0.204 nan 8.230 nan 0.000 0.437 68 H N -1.238 117.917 119.070 0.142 0.000 2.521 68 H HA 0.098 4.655 4.556 0.001 0.000 0.286 68 H C 2.110 177.597 175.328 0.265 0.000 1.034 68 H CA 0.957 57.105 56.048 0.167 0.000 1.278 68 H CB -0.124 29.729 29.762 0.150 0.000 1.386 68 H HN 0.440 nan 8.280 nan 0.000 0.567 69 A N -0.028 123.024 122.820 0.386 0.000 2.016 69 A HA -0.121 4.200 4.320 0.001 0.000 0.217 69 A C 2.426 180.205 177.584 0.325 0.000 1.162 69 A CA 1.474 53.771 52.037 0.434 0.000 0.662 69 A CB -0.748 18.539 19.000 0.479 0.000 0.812 69 A HN 0.552 nan 8.150 nan 0.000 0.450 70 T N -2.104 112.560 114.554 0.184 0.000 2.915 70 T HA -0.032 4.318 4.350 0.001 0.000 0.269 70 T C -0.459 174.213 174.700 -0.047 0.000 1.071 70 T CA 1.195 63.348 62.100 0.089 0.000 1.132 70 T CB -1.409 67.515 68.868 0.093 0.000 0.878 70 T HN 0.338 nan 8.240 nan 0.000 0.479 71 P HA 0.060 nan 4.420 nan 0.000 0.225 71 P C 0.381 177.357 177.300 -0.541 0.000 1.148 71 P CA 0.688 63.523 63.100 -0.443 0.000 0.779 71 P CB -0.338 30.955 31.700 -0.678 0.000 0.780 72 F N -2.166 117.773 119.950 -0.017 0.000 2.641 72 F HA 0.463 4.990 4.527 -0.000 0.000 0.302 72 F C 1.559 177.302 175.800 -0.095 0.000 1.098 72 F CA -0.115 57.863 58.000 -0.037 0.000 1.318 72 F CB -0.221 38.779 39.000 -0.000 0.000 1.035 72 F HN -0.069 nan 8.300 nan 0.000 0.551 73 A N -1.548 121.240 122.820 -0.054 0.000 1.770 73 A HA 0.428 4.749 4.320 0.001 0.000 0.169 73 A C -0.307 176.938 177.584 -0.564 0.000 1.750 73 A CA -0.133 51.746 52.037 -0.263 0.000 1.687 73 A CB 0.780 19.720 19.000 -0.100 0.000 1.516 73 A HN 0.127 nan 8.150 nan 0.000 0.956 74 H N -0.587 118.495 119.070 0.019 0.000 2.821 74 H HA 0.433 4.990 4.556 0.001 0.000 0.373 74 H C -2.858 172.478 175.328 0.015 0.000 1.165 74 H CA -2.086 53.969 56.048 0.011 0.000 1.154 74 H CB 1.289 31.059 29.762 0.014 0.000 1.765 74 H HN 0.128 nan 8.280 nan 0.000 0.549 75 P HA 0.076 nan 4.420 nan 0.000 0.267 75 P C -0.754 176.615 177.300 0.115 0.000 1.328 75 P CA 0.139 63.290 63.100 0.085 0.000 0.990 75 P CB 0.060 31.792 31.700 0.053 0.000 1.168 76 V N 4.578 124.572 119.914 0.134 0.000 2.569 76 V HA 0.259 4.379 4.120 0.001 0.000 0.301 76 V C -0.952 175.283 176.094 0.235 0.000 1.044 76 V CA -0.663 61.735 62.300 0.164 0.000 0.874 76 V CB 2.134 34.042 31.823 0.142 0.000 1.002 76 V HN 0.453 nan 8.190 nan 0.000 0.424 77 W N 6.771 128.088 121.300 0.027 0.000 2.433 77 W HA 0.615 5.276 4.660 0.001 0.000 0.331 77 W C -0.708 175.830 176.519 0.032 0.000 1.110 77 W CA -0.918 56.441 57.345 0.023 0.000 1.450 77 W CB 0.894 30.362 29.460 0.013 0.000 1.348 77 W HN 0.346 nan 8.180 nan 0.000 0.415 78 V N 8.595 128.588 119.914 0.132 0.000 2.407 78 V HA 0.564 4.685 4.120 0.001 0.000 0.278 78 V C 0.177 176.185 176.094 -0.143 0.000 1.037 78 V CA -0.636 61.643 62.300 -0.035 0.000 0.900 78 V CB 0.827 32.691 31.823 0.069 0.000 0.983 78 V HN 0.490 nan 8.190 nan 0.000 0.459 79 R N 3.955 124.277 120.500 -0.297 0.000 2.764 79 R HA 0.921 5.262 4.340 0.001 0.000 0.270 79 R C -0.672 175.510 176.300 -0.197 0.000 1.014 79 R CA -0.714 55.223 56.100 -0.272 0.000 0.904 79 R CB 1.969 31.948 30.300 -0.535 0.000 1.236 79 R HN 0.607 nan 8.270 nan 0.000 0.466 84 S N -1.292 114.334 115.700 -0.122 0.000 2.730 84 S HA 0.513 4.984 4.470 0.001 0.000 0.284 84 S C 0.972 175.486 174.600 -0.144 0.000 1.153 84 S CA -0.420 57.695 58.200 -0.141 0.000 0.995 84 S CB 1.034 64.208 63.200 -0.044 0.000 1.058 84 S HN 0.530 nan 8.310 nan 0.000 0.552 85 Y N 1.150 121.423 120.300 -0.045 0.000 2.139 85 Y HA -0.055 4.496 4.550 0.001 0.000 0.282 85 Y C 2.753 178.626 175.900 -0.045 0.000 1.179 85 Y CA 1.922 59.992 58.100 -0.049 0.000 1.161 85 Y CB -1.193 37.239 38.460 -0.046 0.000 0.970 85 Y HN 0.885 nan 8.280 nan 0.000 0.511 86 G N -0.798 108.071 108.800 0.115 0.000 2.470 86 G HA2 -0.200 3.761 3.960 0.001 0.000 0.220 86 G HA3 -0.200 3.761 3.960 0.001 0.000 0.220 86 G C 1.186 176.098 174.900 0.020 0.000 1.121 86 G CA 1.068 46.202 45.100 0.057 0.000 0.766 86 G HN 0.313 nan 8.290 nan 0.000 0.553 87 D N 0.165 120.560 120.400 -0.008 0.000 2.363 87 D HA 0.047 4.688 4.640 0.001 0.000 0.226 87 D C 2.090 178.361 176.300 -0.048 0.000 1.020 87 D CA 0.156 54.131 54.000 -0.041 0.000 0.892 87 D CB 0.258 41.008 40.800 -0.083 0.000 0.900 87 D HN 0.328 nan 8.370 nan 0.000 0.531 88 L N 0.437 121.648 121.223 -0.019 0.000 2.591 88 L HA 0.098 4.439 4.340 0.001 0.000 0.228 88 L C 1.071 177.937 176.870 -0.006 0.000 1.133 88 L CA -0.094 54.736 54.840 -0.016 0.000 0.880 88 L CB -0.065 42.003 42.059 0.015 0.000 1.033 88 L HN -0.100 nan 8.230 nan 0.000 0.450 89 E N 0.855 121.056 120.200 0.001 0.000 2.502 89 E HA 0.044 4.394 4.350 0.001 0.000 0.261 89 E C 1.221 177.823 176.600 0.002 0.000 0.974 89 E CA 0.841 57.244 56.400 0.004 0.000 0.936 89 E CB 0.342 30.047 29.700 0.009 0.000 0.926 89 E HN 0.314 nan 8.360 nan 0.000 0.459 90 G N 2.471 111.273 108.800 0.002 0.000 2.162 90 G HA2 -0.337 3.624 3.960 0.001 0.000 0.260 90 G HA3 -0.337 3.624 3.960 0.001 0.000 0.260 90 G C 0.259 175.159 174.900 -0.000 0.000 0.976 90 G CA 0.171 45.274 45.100 0.004 0.000 0.655 90 G HN 0.875 nan 8.290 nan 0.000 0.533 91 A N -0.113 122.703 122.820 -0.006 0.000 2.450 91 A HA 0.661 4.982 4.320 0.001 0.000 0.255 91 A C 1.304 178.882 177.584 -0.010 0.000 1.096 91 A CA 0.532 52.562 52.037 -0.012 0.000 0.778 91 A CB 0.223 19.210 19.000 -0.021 0.000 1.031 91 A HN 0.458 nan 8.150 nan 0.000 0.494 92 R N 1.149 121.643 120.500 -0.010 0.000 2.300 92 R HA 0.321 4.662 4.340 0.001 0.000 0.199 92 R C 0.196 176.488 176.300 -0.014 0.000 0.920 92 R CA 0.902 56.996 56.100 -0.009 0.000 1.046 92 R CB 0.299 30.596 30.300 -0.006 0.000 0.984 92 R HN 0.751 nan 8.270 nan 0.000 0.493 93 A N 0.598 123.407 122.820 -0.019 0.000 2.488 93 A HA 0.560 4.881 4.320 0.001 0.000 0.298 93 A C -1.176 176.391 177.584 -0.029 0.000 1.044 93 A CA -0.521 51.501 52.037 -0.024 0.000 0.693 93 A CB 2.029 21.012 19.000 -0.029 0.000 1.272 93 A HN -0.046 nan 8.150 nan 0.000 0.402 94 V N 2.442 122.337 119.914 -0.031 0.000 2.483 94 V HA 0.412 4.533 4.120 0.001 0.000 0.297 94 V C -0.277 175.792 176.094 -0.042 0.000 1.027 94 V CA -0.638 61.640 62.300 -0.037 0.000 0.855 94 V CB 1.701 33.503 31.823 -0.035 0.000 0.995 94 V HN 0.726 nan 8.190 nan 0.000 0.424 95 V N 6.135 126.024 119.914 -0.042 0.000 2.461 95 V HA 0.321 4.441 4.120 0.001 0.000 0.275 95 V C -0.221 175.846 176.094 -0.045 0.000 1.047 95 V CA -0.432 61.847 62.300 -0.035 0.000 0.955 95 V CB 1.351 33.158 31.823 -0.028 0.000 0.988 95 V HN 0.523 nan 8.190 nan 0.000 0.471 96 L N 5.212 126.411 121.223 -0.040 0.000 2.272 96 L HA 0.586 4.927 4.340 0.001 0.000 0.284 96 L C 0.618 177.518 176.870 0.049 0.000 1.045 96 L CA 0.035 54.834 54.840 -0.068 0.000 0.842 96 L CB 0.840 42.767 42.059 -0.219 0.000 1.224 96 L HN 0.763 nan 8.230 nan 0.000 0.430 97 A N 3.096 125.936 122.820 0.033 0.000 3.105 97 A HA 0.701 5.021 4.320 0.001 0.000 0.297 97 A C 0.846 178.468 177.584 0.063 0.000 0.977 97 A CA 0.188 52.260 52.037 0.058 0.000 1.020 97 A CB 0.223 19.231 19.000 0.012 0.000 1.098 97 A HN 0.586 nan 8.150 nan 0.000 0.497 98 A N -0.066 122.832 122.820 0.129 0.000 2.545 98 A HA 0.554 4.875 4.320 0.001 0.000 0.277 98 A C 1.131 178.804 177.584 0.149 0.000 1.301 98 A CA 0.359 52.467 52.037 0.119 0.000 0.935 98 A CB -0.428 18.637 19.000 0.110 0.000 1.093 98 A HN 0.976 nan 8.150 nan 0.000 0.519 99 G N -0.572 108.306 108.800 0.130 0.000 2.559 99 G HA2 0.384 4.345 3.960 0.001 0.000 0.235 99 G HA3 0.384 4.345 3.960 0.001 0.000 0.235 99 G C 0.172 175.104 174.900 0.053 0.000 1.266 99 G CA 0.060 45.210 45.100 0.083 0.000 0.847 99 G HN 0.230 nan 8.290 nan 0.000 0.583 110 L N 0.637 121.866 121.223 0.010 0.000 2.711 110 L HA 0.426 4.767 4.340 0.001 0.000 0.242 110 L C 2.158 179.037 176.870 0.015 0.000 1.153 110 L CA 2.291 57.140 54.840 0.015 0.000 0.898 110 L CB -1.585 40.489 42.059 0.024 0.000 1.044 110 L HN 0.804 nan 8.230 nan 0.000 0.437 111 Q N 0.677 120.483 119.800 0.011 0.000 2.033 111 Q HA 0.002 4.343 4.340 0.001 0.000 0.196 111 Q C 2.203 178.208 176.000 0.009 0.000 0.970 111 Q CA 1.627 57.436 55.803 0.010 0.000 0.828 111 Q CB -1.155 27.588 28.738 0.008 0.000 0.895 111 Q HN 0.580 nan 8.270 nan 0.000 0.440 112 L N 0.504 121.730 121.223 0.005 0.000 1.997 112 L HA -0.157 4.183 4.340 0.001 0.000 0.216 112 L C 2.355 179.222 176.870 -0.005 0.000 1.074 112 L CA 2.277 57.118 54.840 0.001 0.000 0.763 112 L CB -0.500 41.558 42.059 -0.001 0.000 0.890 112 L HN 0.518 nan 8.230 nan 0.000 0.434 113 L N -0.949 120.270 121.223 -0.006 0.000 2.353 113 L HA -0.203 4.138 4.340 0.001 0.000 0.220 113 L C 1.655 178.522 176.870 -0.005 0.000 1.133 113 L CA 1.876 56.706 54.840 -0.017 0.000 0.798 113 L CB -1.072 40.985 42.059 -0.003 0.000 0.922 113 L HN 0.417 nan 8.230 nan 0.000 0.445 114 D N -0.396 120.012 120.400 0.013 0.000 2.162 114 D HA -0.056 4.585 4.640 0.001 0.000 0.205 114 D C 2.285 178.602 176.300 0.029 0.000 0.964 114 D CA 0.625 54.644 54.000 0.032 0.000 0.847 114 D CB 0.213 41.029 40.800 0.027 0.000 0.988 114 D HN 0.283 nan 8.370 nan 0.000 0.480 115 R N 0.572 121.082 120.500 0.018 0.000 2.081 115 R HA -0.047 4.294 4.340 0.001 0.000 0.235 115 R C 1.696 178.010 176.300 0.023 0.000 1.131 115 R CA 0.852 56.966 56.100 0.023 0.000 0.960 115 R CB -0.369 29.941 30.300 0.018 0.000 0.856 115 R HN 0.190 nan 8.270 nan 0.000 0.436 116 N N 0.888 119.581 118.700 -0.011 0.000 2.244 116 N HA -0.084 4.656 4.740 0.001 0.000 0.183 116 N C 1.651 177.108 175.510 -0.088 0.000 1.016 116 N CA 1.294 54.314 53.050 -0.050 0.000 0.866 116 N CB -0.189 38.219 38.487 -0.132 0.000 0.980 116 N HN 0.220 nan 8.380 nan 0.000 0.430 117 A N 1.131 123.905 122.820 -0.076 0.000 1.930 117 A HA -0.137 4.184 4.320 0.001 0.000 0.217 117 A C 2.138 179.776 177.584 0.089 0.000 1.175 117 A CA 1.052 53.062 52.037 -0.045 0.000 0.627 117 A CB -0.442 18.608 19.000 0.083 0.000 0.815 117 A HN 0.314 nan 8.150 nan 0.000 0.443 118 Q N -0.367 119.488 119.800 0.091 0.000 2.050 118 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 118 Q C 2.152 178.220 176.000 0.115 0.000 0.980 118 Q CA 1.743 57.604 55.803 0.098 0.000 0.840 118 Q CB -0.445 28.334 28.738 0.068 0.000 0.898 118 Q HN 0.496 nan 8.270 nan 0.000 0.424 119 V N 0.430 120.426 119.914 0.136 0.000 2.255 119 V HA -0.260 3.861 4.120 0.001 0.000 0.247 119 V C 1.968 178.204 176.094 0.236 0.000 1.051 119 V CA 1.793 64.198 62.300 0.175 0.000 1.018 119 V CB -0.649 31.299 31.823 0.209 0.000 0.641 119 V HN 0.262 nan 8.190 nan 0.000 0.445 120 F N 0.862 120.804 119.950 -0.013 0.000 2.202 120 F HA -0.123 4.405 4.527 0.001 0.000 0.301 120 F C 2.382 178.155 175.800 -0.045 0.000 1.082 120 F CA 0.947 58.924 58.000 -0.039 0.000 1.313 120 F CB -1.079 37.871 39.000 -0.084 0.000 1.024 120 F HN 0.111 nan 8.300 nan 0.000 0.495 121 A N -0.892 122.023 122.820 0.159 0.000 2.067 121 A HA -0.153 4.168 4.320 0.001 0.000 0.219 121 A C 2.155 179.749 177.584 0.017 0.000 1.158 121 A CA 1.192 53.279 52.037 0.082 0.000 0.661 121 A CB -0.308 18.753 19.000 0.102 0.000 0.801 121 A HN 0.297 nan 8.150 nan 0.000 0.452 122 Q N -0.701 119.108 119.800 0.015 0.000 2.134 122 Q HA 0.021 4.362 4.340 0.001 0.000 0.195 122 Q C 2.359 178.277 176.000 -0.137 0.000 0.958 122 Q CA 1.351 57.127 55.803 -0.044 0.000 0.840 122 Q CB -0.845 27.894 28.738 0.001 0.000 0.918 122 Q HN 0.436 nan 8.270 nan 0.000 0.467 123 V N 0.854 120.705 119.914 -0.104 0.000 2.261 123 V HA -0.200 3.921 4.120 0.001 0.000 0.246 123 V C 2.525 178.464 176.094 -0.258 0.000 1.047 123 V CA 1.496 63.697 62.300 -0.165 0.000 1.015 123 V CB -0.704 31.011 31.823 -0.180 0.000 0.642 123 V HN 0.067 nan 8.190 nan 0.000 0.446 124 V N 0.414 120.184 119.914 -0.241 0.000 2.295 124 V HA -0.153 3.968 4.120 0.001 0.000 0.246 124 V C 0.114 176.101 176.094 -0.177 0.000 1.049 124 V CA 2.531 64.705 62.300 -0.210 0.000 1.024 124 V CB -1.895 29.832 31.823 -0.160 0.000 0.648 124 V HN 0.527 nan 8.190 nan 0.000 0.447 125 P HA -0.110 nan 4.420 nan 0.000 0.217 125 P C 1.640 178.814 177.300 -0.211 0.000 1.150 125 P CA 1.352 64.358 63.100 -0.156 0.000 0.832 125 P CB -0.080 31.541 31.700 -0.130 0.000 0.787 126 R N -0.871 119.417 120.500 -0.354 0.000 2.119 126 R HA 0.007 4.348 4.340 0.001 0.000 0.222 126 R C 2.091 178.181 176.300 -0.351 0.000 1.088 126 R CA 0.696 56.492 56.100 -0.507 0.000 0.984 126 R CB -0.903 28.720 30.300 -1.128 0.000 0.884 126 R HN 0.083 nan 8.270 nan 0.000 0.447 127 V N 1.460 121.229 119.914 -0.241 0.000 2.270 127 V HA -0.212 3.908 4.120 0.001 0.000 0.245 127 V C 2.166 178.229 176.094 -0.053 0.000 1.043 127 V CA 1.653 63.928 62.300 -0.041 0.000 1.014 127 V CB -0.343 31.463 31.823 -0.030 0.000 0.645 127 V HN 0.278 nan 8.190 nan 0.000 0.447 128 L N -0.036 121.139 121.223 -0.082 0.000 2.275 128 L HA -0.159 4.182 4.340 0.001 0.000 0.215 128 L C 2.488 179.326 176.870 -0.054 0.000 1.119 128 L CA 1.438 56.242 54.840 -0.060 0.000 0.790 128 L CB -0.530 41.489 42.059 -0.066 0.000 0.919 128 L HN 0.479 nan 8.230 nan 0.000 0.443 129 E N 0.841 120.998 120.200 -0.071 0.000 2.047 129 E HA -0.229 4.122 4.350 0.001 0.000 0.191 129 E C 2.215 178.796 176.600 -0.031 0.000 0.987 129 E CA 1.324 57.690 56.400 -0.057 0.000 0.799 129 E CB 0.027 29.680 29.700 -0.079 0.000 0.752 129 E HN 0.440 nan 8.360 nan 0.000 0.449 130 A N 0.434 123.243 122.820 -0.019 0.000 2.021 130 A HA 0.363 4.684 4.320 0.001 0.000 0.216 130 A C 0.993 178.577 177.584 0.000 0.000 1.163 130 A CA 0.876 52.916 52.037 0.004 0.000 0.676 130 A CB 0.035 19.055 19.000 0.034 0.000 0.818 130 A HN 0.325 nan 8.150 nan 0.000 0.453 131 A N -0.971 121.845 122.820 -0.007 0.000 2.498 131 A HA 0.546 4.867 4.320 0.001 0.000 0.298 131 A C 0.773 178.349 177.584 -0.014 0.000 1.075 131 A CA 0.252 52.285 52.037 -0.008 0.000 0.714 131 A CB 0.718 19.715 19.000 -0.005 0.000 1.299 131 A HN 0.705 nan 8.150 nan 0.000 0.407 132 E N -0.521 119.674 120.200 -0.007 0.000 3.153 132 E HA -0.333 4.017 4.350 0.001 0.000 0.255 132 E C 0.551 177.148 176.600 -0.004 0.000 0.915 132 E CA 1.722 58.120 56.400 -0.003 0.000 0.721 132 E CB -2.161 27.539 29.700 -0.001 0.000 1.366 132 E HN 1.744 nan 8.360 nan 0.000 0.457 133 A N 1.497 124.312 122.820 -0.009 0.000 2.440 133 A HA 0.420 4.741 4.320 0.001 0.000 0.251 133 A C 0.483 178.062 177.584 -0.009 0.000 1.089 133 A CA 0.028 52.058 52.037 -0.011 0.000 0.779 133 A CB 0.944 19.934 19.000 -0.016 0.000 1.022 133 A HN 0.173 nan 8.150 nan 0.000 0.492 134 V N 4.071 123.980 119.914 -0.008 0.000 2.572 134 V HA 0.094 4.215 4.120 0.001 0.000 0.291 134 V C 0.379 176.466 176.094 -0.012 0.000 1.039 134 V CA 0.181 62.478 62.300 -0.005 0.000 1.055 134 V CB 0.521 32.340 31.823 -0.008 0.000 0.969 134 V HN 0.652 nan 8.190 nan 0.000 0.482 135 L N 5.899 127.119 121.223 -0.005 0.000 2.276 135 L HA 0.396 4.736 4.340 0.001 0.000 0.286 135 L C -0.469 176.400 176.870 -0.002 0.000 1.061 135 L CA -0.553 54.279 54.840 -0.014 0.000 0.807 135 L CB 1.164 43.214 42.059 -0.016 0.000 1.177 135 L HN 0.404 nan 8.230 nan 0.000 0.429 136 L N 5.127 126.342 121.223 -0.012 0.000 2.301 136 L HA 0.371 4.711 4.340 0.001 0.000 0.278 136 L C -0.178 176.702 176.870 0.018 0.000 1.022 136 L CA -0.247 54.590 54.840 -0.006 0.000 0.854 136 L CB 1.554 43.598 42.059 -0.026 0.000 1.226 136 L HN 0.206 nan 8.230 nan 0.000 0.429 137 V N 4.808 124.755 119.914 0.054 0.000 2.461 137 V HA 0.445 4.566 4.120 0.001 0.000 0.275 137 V C 0.991 177.139 176.094 0.090 0.000 1.047 137 V CA 0.368 62.741 62.300 0.122 0.000 0.955 137 V CB 0.912 32.845 31.823 0.183 0.000 0.988 137 V HN 0.900 nan 8.190 nan 0.000 0.471 138 A N 3.456 126.342 122.820 0.109 0.000 2.211 138 A HA 0.235 4.556 4.320 0.001 0.000 0.208 138 A C 1.131 178.768 177.584 0.088 0.000 1.250 138 A CA 0.081 52.161 52.037 0.071 0.000 0.935 138 A CB 0.067 19.097 19.000 0.050 0.000 0.982 138 A HN 0.651 nan 8.150 nan 0.000 0.490 139 T N 2.477 117.113 114.554 0.137 0.000 2.928 139 T HA 0.144 4.495 4.350 0.001 0.000 0.305 139 T C 0.060 174.775 174.700 0.025 0.000 1.035 139 T CA 0.141 62.297 62.100 0.093 0.000 1.145 139 T CB -0.056 68.887 68.868 0.125 0.000 0.963 139 T HN 0.484 nan 8.240 nan 0.000 0.545 140 N N 3.584 122.299 118.700 0.024 0.000 2.525 140 N HA 0.287 5.027 4.740 0.001 0.000 0.271 140 N C -2.601 172.890 175.510 -0.032 0.000 1.194 140 N CA -1.304 51.757 53.050 0.018 0.000 0.964 140 N CB 0.394 38.900 38.487 0.032 0.000 1.126 140 N HN 0.351 nan 8.380 nan 0.000 0.452 141 P HA -0.016 nan 4.420 nan 0.000 0.276 141 P C 0.506 177.812 177.300 0.010 0.000 1.230 141 P CA -0.274 62.831 63.100 0.008 0.000 0.776 141 P CB 1.100 32.800 31.700 -0.000 0.000 0.888 142 V N 2.770 122.723 119.914 0.067 0.000 2.548 142 V HA -0.153 3.968 4.120 0.001 0.000 0.249 142 V C 1.280 177.395 176.094 0.036 0.000 1.055 142 V CA 1.907 64.238 62.300 0.052 0.000 1.065 142 V CB -0.572 31.292 31.823 0.068 0.000 0.681 142 V HN 0.473 nan 8.190 nan 0.000 0.462 143 D N -0.156 120.273 120.400 0.049 0.000 2.103 143 D HA -0.113 4.527 4.640 0.001 0.000 0.199 143 D C 2.205 178.527 176.300 0.037 0.000 0.978 143 D CA 1.662 55.689 54.000 0.045 0.000 0.829 143 D CB -0.148 40.682 40.800 0.050 0.000 0.981 143 D HN 0.427 nan 8.370 nan 0.000 0.464 144 V N 1.658 121.583 119.914 0.018 0.000 2.295 144 V HA -0.236 3.884 4.120 0.001 0.000 0.246 144 V C 2.491 178.544 176.094 -0.068 0.000 1.049 144 V CA 1.240 63.542 62.300 0.004 0.000 1.024 144 V CB -0.339 31.481 31.823 -0.005 0.000 0.648 144 V HN 0.187 nan 8.190 nan 0.000 0.447 145 M N -0.431 119.091 119.600 -0.129 0.000 2.296 145 M HA -0.100 4.380 4.480 0.001 0.000 0.265 145 M C 2.221 178.468 176.300 -0.087 0.000 1.064 145 M CA 1.589 56.718 55.300 -0.285 0.000 1.109 145 M CB -1.674 30.686 32.600 -0.399 0.000 1.396 145 M HN 0.382 nan 8.290 nan 0.000 0.430 146 T N 0.094 114.662 114.554 0.022 0.000 2.821 146 T HA -0.187 4.164 4.350 0.001 0.000 0.267 146 T C 1.811 176.591 174.700 0.133 0.000 1.046 146 T CA 1.522 63.683 62.100 0.101 0.000 1.139 146 T CB -0.106 68.812 68.868 0.084 0.000 0.871 146 T HN 0.385 nan 8.240 nan 0.000 0.454 147 Q N 0.992 120.859 119.800 0.113 0.000 2.079 147 Q HA -0.094 4.247 4.340 0.001 0.000 0.200 147 Q C 2.400 178.444 176.000 0.074 0.000 0.974 147 Q CA 1.684 57.606 55.803 0.199 0.000 0.840 147 Q CB -0.345 28.520 28.738 0.213 0.000 0.898 147 Q HN 0.511 nan 8.270 nan 0.000 0.430 148 V N -1.442 118.362 119.914 -0.182 0.000 2.358 148 V HA -0.052 4.068 4.120 0.001 0.000 0.246 148 V C 2.121 178.061 176.094 -0.257 0.000 1.047 148 V CA 1.741 63.673 62.300 -0.614 0.000 1.035 148 V CB -1.319 29.922 31.823 -0.971 0.000 0.658 148 V HN 0.375 nan 8.190 nan 0.000 0.452 149 A N -0.273 122.571 122.820 0.040 0.000 1.902 149 A HA -0.196 4.125 4.320 0.001 0.000 0.217 149 A C 2.211 179.834 177.584 0.065 0.000 1.181 149 A CA 2.102 54.237 52.037 0.164 0.000 0.623 149 A CB -1.065 18.106 19.000 0.284 0.000 0.818 149 A HN 0.879 nan 8.150 nan 0.000 0.443 150 Y N 1.003 121.292 120.300 -0.018 0.000 2.070 150 Y HA -0.237 4.314 4.550 0.001 0.000 0.280 150 Y C 2.476 178.320 175.900 -0.094 0.000 1.148 150 Y CA 2.141 60.209 58.100 -0.053 0.000 1.125 150 Y CB -0.402 38.029 38.460 -0.048 0.000 0.975 150 Y HN 0.243 nan 8.280 nan 0.000 0.492 151 R N 0.235 120.483 120.500 -0.420 0.000 2.091 151 R HA -0.157 4.183 4.340 0.001 0.000 0.238 151 R C 2.360 178.502 176.300 -0.262 0.000 1.136 151 R CA 1.780 57.621 56.100 -0.432 0.000 0.959 151 R CB -1.002 29.295 30.300 -0.004 0.000 0.856 151 R HN 0.430 nan 8.270 nan 0.000 0.437 152 L N 1.222 122.354 121.223 -0.152 0.000 2.141 152 L HA -0.127 4.214 4.340 0.001 0.000 0.209 152 L C 2.742 179.543 176.870 -0.116 0.000 1.094 152 L CA 1.354 56.145 54.840 -0.081 0.000 0.763 152 L CB -0.496 41.538 42.059 -0.042 0.000 0.908 152 L HN 0.278 nan 8.230 nan 0.000 0.437 153 S N -0.377 115.232 115.700 -0.151 0.000 2.387 153 S HA -0.057 4.414 4.470 0.001 0.000 0.226 153 S C 1.813 176.336 174.600 -0.129 0.000 1.026 153 S CA 0.781 58.911 58.200 -0.117 0.000 0.972 153 S CB -0.362 62.794 63.200 -0.072 0.000 0.814 153 S HN 0.513 nan 8.310 nan 0.000 0.477 154 G N 1.009 109.687 108.800 -0.204 0.000 2.168 154 G HA2 -0.243 3.717 3.960 0.001 0.000 0.263 154 G HA3 -0.243 3.717 3.960 0.001 0.000 0.263 154 G C 0.035 174.871 174.900 -0.106 0.000 0.977 154 G CA 0.653 45.654 45.100 -0.166 0.000 0.659 154 G HN 0.581 nan 8.290 nan 0.000 0.533 155 L N 0.464 121.641 121.223 -0.076 0.000 2.454 155 L HA 0.482 4.822 4.340 0.001 0.000 0.256 155 L C -1.486 175.438 176.870 0.089 0.000 1.136 155 L CA -2.281 52.565 54.840 0.009 0.000 0.804 155 L CB 0.315 42.395 42.059 0.034 0.000 1.181 155 L HN -0.116 nan 8.230 nan 0.000 0.469 156 P HA 0.062 nan 4.420 nan 0.000 0.269 156 P C -2.067 175.355 177.300 0.205 0.000 1.215 156 P CA -1.036 62.153 63.100 0.148 0.000 0.780 156 P CB -0.021 31.732 31.700 0.088 0.000 0.898 157 P HA -0.135 nan 4.420 nan 0.000 0.218 157 P C 1.433 178.749 177.300 0.027 0.000 1.149 157 P CA 1.648 64.748 63.100 0.000 0.000 0.817 157 P CB -0.440 31.225 31.700 -0.058 0.000 0.785 158 G N 0.223 109.054 108.800 0.050 0.000 2.498 158 G HA2 -0.196 3.764 3.960 0.001 0.000 0.219 158 G HA3 -0.196 3.764 3.960 0.001 0.000 0.219 158 G C 1.718 176.645 174.900 0.044 0.000 1.119 158 G CA 0.116 45.240 45.100 0.039 0.000 0.766 158 G HN 0.175 nan 8.290 nan 0.000 0.552 159 R N -0.416 120.123 120.500 0.064 0.000 2.276 159 R HA 0.098 4.439 4.340 0.001 0.000 0.203 159 R C -0.016 176.320 176.300 0.061 0.000 1.017 159 R CA 0.184 56.318 56.100 0.057 0.000 1.010 159 R CB 0.074 30.410 30.300 0.060 0.000 0.900 159 R HN 0.262 nan 8.270 nan 0.000 0.469 160 V N 1.798 121.764 119.914 0.087 0.000 2.350 160 V HA 0.297 4.418 4.120 0.001 0.000 0.285 160 V C -0.295 175.839 176.094 0.067 0.000 1.014 160 V CA -0.660 61.695 62.300 0.093 0.000 0.831 160 V CB 2.076 34.001 31.823 0.170 0.000 1.000 160 V HN -0.256 nan 8.190 nan 0.000 0.433 161 V N 3.758 123.699 119.914 0.044 0.000 2.531 161 V HA 0.786 4.906 4.120 0.001 0.000 0.301 161 V C 0.552 176.660 176.094 0.022 0.000 1.034 161 V CA -0.426 61.888 62.300 0.023 0.000 0.865 161 V CB 2.051 33.874 31.823 -0.001 0.000 0.995 161 V HN 0.886 nan 8.190 nan 0.000 0.424 162 G N 1.672 110.484 108.800 0.020 0.000 2.371 162 G HA2 0.469 4.430 3.960 0.001 0.000 0.326 162 G HA3 0.469 4.430 3.960 0.001 0.000 0.326 162 G C 0.961 175.849 174.900 -0.020 0.000 1.127 162 G CA 0.269 45.378 45.100 0.016 0.000 0.885 162 G HN 0.883 nan 8.290 nan 0.000 0.477 163 S N 1.637 117.315 115.700 -0.036 0.000 2.374 163 S HA 0.035 4.506 4.470 0.001 0.000 0.227 163 S C 2.085 176.617 174.600 -0.114 0.000 1.037 163 S CA 1.376 59.530 58.200 -0.076 0.000 1.024 163 S CB -0.924 62.225 63.200 -0.084 0.000 0.861 163 S HN 2.355 nan 8.310 nan 0.000 0.456 164 G N 0.691 109.409 108.800 -0.137 0.000 2.583 164 G HA2 -0.370 3.590 3.960 0.001 0.000 0.292 164 G HA3 -0.370 3.590 3.960 0.001 0.000 0.292 164 G C 0.648 175.380 174.900 -0.280 0.000 1.203 164 G CA 0.789 45.808 45.100 -0.136 0.000 0.987 164 G HN 0.838 nan 8.290 nan 0.000 0.554 165 T N 1.305 115.790 114.554 -0.114 0.000 3.163 165 T HA 0.383 4.733 4.350 0.001 0.000 0.252 165 T C 2.353 177.037 174.700 -0.026 0.000 1.056 165 T CA 1.004 63.072 62.100 -0.053 0.000 0.947 165 T CB -0.665 68.223 68.868 0.033 0.000 1.016 165 T HN 0.838 nan 8.240 nan 0.000 0.554 166 I N -1.151 119.394 120.570 -0.042 0.000 2.264 166 I HA -0.128 4.042 4.170 0.001 0.000 0.248 166 I C 2.020 178.154 176.117 0.028 0.000 1.111 166 I CA 1.539 62.855 61.300 0.027 0.000 1.382 166 I CB -0.633 37.393 38.000 0.043 0.000 1.060 166 I HN 0.191 nan 8.210 nan 0.000 0.418 167 L N 0.910 122.130 121.223 -0.005 0.000 2.083 167 L HA -0.156 4.184 4.340 0.001 0.000 0.209 167 L C 2.307 179.209 176.870 0.052 0.000 1.083 167 L CA 1.409 56.266 54.840 0.027 0.000 0.752 167 L CB -0.854 41.224 42.059 0.031 0.000 0.899 167 L HN 0.348 nan 8.230 nan 0.000 0.433 168 D N -0.768 119.670 120.400 0.063 0.000 2.123 168 D HA -0.115 4.525 4.640 0.001 0.000 0.200 168 D C 2.142 178.491 176.300 0.081 0.000 0.976 168 D CA 1.386 55.428 54.000 0.070 0.000 0.831 168 D CB -0.161 40.686 40.800 0.079 0.000 0.974 168 D HN 0.208 nan 8.370 nan 0.000 0.469 169 T N 1.112 115.720 114.554 0.090 0.000 2.720 169 T HA -0.150 4.201 4.350 0.001 0.000 0.268 169 T C 2.019 176.766 174.700 0.079 0.000 1.037 169 T CA 1.637 63.812 62.100 0.124 0.000 1.144 169 T CB -0.208 68.738 68.868 0.130 0.000 0.864 169 T HN 0.195 nan 8.240 nan 0.000 0.444 170 A N 1.215 124.063 122.820 0.048 0.000 1.930 170 A HA -0.020 4.301 4.320 0.001 0.000 0.217 170 A C 2.258 179.855 177.584 0.022 0.000 1.175 170 A CA 1.595 53.639 52.037 0.012 0.000 0.627 170 A CB -0.439 18.572 19.000 0.020 0.000 0.815 170 A HN 0.270 nan 8.150 nan 0.000 0.443 171 R N -1.069 119.465 120.500 0.057 0.000 2.075 171 R HA -0.066 4.275 4.340 0.001 0.000 0.232 171 R C 1.728 178.095 176.300 0.111 0.000 1.126 171 R CA 1.439 57.579 56.100 0.066 0.000 0.963 171 R CB -0.933 29.406 30.300 0.065 0.000 0.858 171 R HN 0.445 nan 8.270 nan 0.000 0.435 172 F N 1.267 121.165 119.950 -0.087 0.000 2.126 172 F HA -0.127 4.401 4.527 0.001 0.000 0.299 172 F C 1.735 177.439 175.800 -0.160 0.000 1.096 172 F CA 1.652 59.561 58.000 -0.152 0.000 1.255 172 F CB -0.314 38.560 39.000 -0.210 0.000 0.997 172 F HN -0.010 nan 8.300 nan 0.000 0.479 173 R N -0.104 120.296 120.500 -0.167 0.000 2.092 173 R HA -0.038 4.303 4.340 0.001 0.000 0.231 173 R C 2.436 178.644 176.300 -0.153 0.000 1.119 173 R CA 1.100 57.034 56.100 -0.276 0.000 0.970 173 R CB -0.844 29.310 30.300 -0.243 0.000 0.864 173 R HN 0.323 nan 8.270 nan 0.000 0.440 174 A N 1.640 124.420 122.820 -0.067 0.000 1.865 174 A HA -0.149 4.172 4.320 0.001 0.000 0.217 174 A C 2.208 179.794 177.584 0.002 0.000 1.191 174 A CA 1.254 53.276 52.037 -0.025 0.000 0.623 174 A CB -0.643 18.358 19.000 0.002 0.000 0.826 174 A HN 0.170 nan 8.150 nan 0.000 0.444 175 L N -0.755 120.486 121.223 0.030 0.000 2.083 175 L HA -0.168 4.173 4.340 0.001 0.000 0.209 175 L C 2.562 179.481 176.870 0.081 0.000 1.083 175 L CA 0.946 55.830 54.840 0.073 0.000 0.752 175 L CB -0.474 41.654 42.059 0.115 0.000 0.899 175 L HN 0.376 nan 8.230 nan 0.000 0.433 176 L N -0.639 120.577 121.223 -0.011 0.000 2.093 176 L HA -0.161 4.180 4.340 0.001 0.000 0.208 176 L C 2.858 179.761 176.870 0.056 0.000 1.085 176 L CA 1.027 55.867 54.840 -0.001 0.000 0.755 176 L CB -0.657 41.255 42.059 -0.245 0.000 0.904 176 L HN 0.228 nan 8.230 nan 0.000 0.435 177 A N -0.039 122.773 122.820 -0.012 0.000 1.902 177 A HA -0.218 4.103 4.320 0.001 0.000 0.217 177 A C 2.145 179.761 177.584 0.052 0.000 1.181 177 A CA 1.633 53.670 52.037 -0.001 0.000 0.623 177 A CB -0.378 18.600 19.000 -0.037 0.000 0.818 177 A HN 0.440 nan 8.150 nan 0.000 0.443 178 E N -1.586 118.656 120.200 0.071 0.000 2.031 178 E HA -0.215 4.136 4.350 0.001 0.000 0.193 178 E C 1.938 178.612 176.600 0.124 0.000 0.994 178 E CA 1.503 57.955 56.400 0.086 0.000 0.800 178 E CB -0.382 29.373 29.700 0.092 0.000 0.752 178 E HN 0.729 nan 8.360 nan 0.000 0.447 179 Y N 1.305 121.636 120.300 0.052 0.000 2.151 179 Y HA -0.193 4.358 4.550 0.001 0.000 0.284 179 Y C 1.770 177.717 175.900 0.078 0.000 1.166 179 Y CA 1.452 59.593 58.100 0.068 0.000 1.163 179 Y CB -0.046 38.469 38.460 0.092 0.000 0.974 179 Y HN -0.036 nan 8.280 nan 0.000 0.511 180 L N -0.454 120.802 121.223 0.056 0.000 2.509 180 L HA 0.091 4.431 4.340 0.001 0.000 0.222 180 L C 0.581 177.483 176.870 0.053 0.000 1.123 180 L CA 0.349 55.219 54.840 0.051 0.000 0.856 180 L CB -0.215 42.027 42.059 0.305 0.000 0.985 180 L HN 0.022 nan 8.230 nan 0.000 0.456 181 R N -0.032 120.486 120.500 0.031 0.000 3.209 181 R HA -0.132 4.209 4.340 0.001 0.000 0.252 181 R C -0.825 175.517 176.300 0.070 0.000 0.958 181 R CA 0.257 56.375 56.100 0.029 0.000 0.651 181 R CB -1.378 28.917 30.300 -0.009 0.000 1.142 181 R HN 0.164 nan 8.270 nan 0.000 0.441 182 V N -0.288 119.669 119.914 0.072 0.000 3.049 182 V HA 0.792 4.913 4.120 0.001 0.000 0.309 182 V C -0.445 175.650 176.094 0.002 0.000 1.148 182 V CA -0.185 62.151 62.300 0.060 0.000 0.990 182 V CB 2.124 33.995 31.823 0.080 0.000 1.039 182 V HN 0.415 nan 8.190 nan 0.000 0.430 183 A N 6.961 129.774 122.820 -0.012 0.000 2.540 183 A HA 0.426 4.746 4.320 0.001 0.000 0.239 183 A C -1.356 176.194 177.584 -0.058 0.000 1.061 183 A CA -0.222 51.799 52.037 -0.028 0.000 0.758 183 A CB -0.089 18.896 19.000 -0.024 0.000 0.991 183 A HN 0.789 nan 8.150 nan 0.000 0.502 184 P HA -0.210 nan 4.420 nan 0.000 0.220 184 P C 0.935 178.163 177.300 -0.120 0.000 1.148 184 P CA 1.284 64.327 63.100 -0.094 0.000 0.803 184 P CB 0.062 31.716 31.700 -0.077 0.000 0.782 185 Q N -0.530 119.216 119.800 -0.089 0.000 2.364 185 Q HA 0.005 4.345 4.340 0.001 0.000 0.207 185 Q C 1.709 177.676 176.000 -0.055 0.000 0.970 185 Q CA 1.023 56.775 55.803 -0.086 0.000 0.888 185 Q CB -1.203 27.504 28.738 -0.051 0.000 0.951 185 Q HN 0.181 nan 8.270 nan 0.000 0.469 186 S N 0.327 115.984 115.700 -0.072 0.000 2.593 186 S HA 0.128 4.599 4.470 0.001 0.000 0.217 186 S C 0.434 174.967 174.600 -0.111 0.000 0.966 186 S CA -0.231 57.921 58.200 -0.080 0.000 0.914 186 S CB 0.370 63.494 63.200 -0.126 0.000 0.776 186 S HN 0.112 nan 8.310 nan 0.000 0.523 187 V N 2.633 122.462 119.914 -0.142 0.000 2.364 187 V HA 0.301 4.422 4.120 0.001 0.000 0.272 187 V C -0.778 175.175 176.094 -0.236 0.000 1.036 187 V CA -0.580 61.594 62.300 -0.210 0.000 0.880 187 V CB 0.736 32.398 31.823 -0.268 0.000 0.991 187 V HN 0.264 nan 8.190 nan 0.000 0.460 188 H N 3.608 122.469 119.070 -0.348 0.000 2.683 188 H HA 0.738 5.295 4.556 0.001 0.000 0.270 188 H C 0.153 175.147 175.328 -0.558 0.000 1.201 188 H CA 0.246 56.032 56.048 -0.436 0.000 1.277 188 H CB 1.175 30.724 29.762 -0.355 0.000 1.400 188 H HN 0.853 nan 8.280 nan 0.000 0.504 189 A N 3.005 125.458 122.820 -0.611 0.000 2.414 189 A HA 0.649 4.970 4.320 0.001 0.000 0.306 189 A C -1.603 175.705 177.584 -0.461 0.000 1.054 189 A CA -0.663 51.027 52.037 -0.579 0.000 0.724 189 A CB 1.083 19.567 19.000 -0.860 0.000 1.267 189 A HN 0.451 nan 8.150 nan 0.000 0.418 190 Y N 0.340 120.660 120.300 0.033 0.000 2.468 190 Y HA 0.569 5.120 4.550 0.001 0.000 0.342 190 Y C 0.073 176.031 175.900 0.097 0.000 1.021 190 Y CA -1.107 57.021 58.100 0.047 0.000 1.079 190 Y CB 2.140 40.587 38.460 -0.022 0.000 1.226 190 Y HN 0.411 nan 8.280 nan 0.000 0.460 191 V N 4.779 124.823 119.914 0.217 0.000 2.435 191 V HA 0.523 4.643 4.120 0.001 0.000 0.290 191 V C -0.259 175.855 176.094 0.033 0.000 1.030 191 V CA -0.757 61.569 62.300 0.044 0.000 0.881 191 V CB 1.334 33.151 31.823 -0.012 0.000 0.983 191 V HN 0.587 nan 8.190 nan 0.000 0.445 192 L N 3.248 124.464 121.223 -0.012 0.000 2.283 192 L HA 0.980 5.321 4.340 0.001 0.000 0.259 192 L C 0.835 177.686 176.870 -0.032 0.000 1.027 192 L CA 0.013 54.823 54.840 -0.050 0.000 0.828 192 L CB 2.085 44.082 42.059 -0.104 0.000 1.380 192 L HN 0.892 nan 8.230 nan 0.000 0.425 193 G N 0.879 109.657 108.800 -0.037 0.000 2.503 193 G HA2 -0.220 3.741 3.960 0.001 0.000 0.235 193 G HA3 -0.220 3.741 3.960 0.001 0.000 0.235 193 G C -0.467 174.440 174.900 0.011 0.000 1.179 193 G CA -0.001 45.091 45.100 -0.015 0.000 0.944 193 G HN 0.777 nan 8.290 nan 0.000 0.580 194 E N 0.756 120.967 120.200 0.019 0.000 2.316 194 E HA 0.293 4.643 4.350 0.001 0.000 0.275 194 E C 0.270 176.910 176.600 0.068 0.000 1.029 194 E CA -0.474 55.949 56.400 0.038 0.000 0.871 194 E CB 0.180 29.891 29.700 0.018 0.000 1.022 194 E HN 0.600 nan 8.360 nan 0.000 0.418 195 H N 4.065 123.129 119.070 -0.010 0.000 3.017 195 H HA 0.311 4.868 4.556 0.001 0.000 0.276 195 H C 0.130 175.452 175.328 -0.009 0.000 1.062 195 H CA 0.853 56.895 56.048 -0.009 0.000 1.486 195 H CB 0.218 29.978 29.762 -0.003 0.000 1.507 195 H HN 0.797 nan 8.280 nan 0.000 0.508 196 G N 4.637 113.253 108.800 -0.307 0.000 2.384 196 G HA2 -0.211 3.750 3.960 0.001 0.000 0.150 196 G HA3 -0.211 3.750 3.960 0.001 0.000 0.150 196 G C 0.180 174.993 174.900 -0.146 0.000 1.269 196 G CA 0.043 44.959 45.100 -0.306 0.000 1.094 196 G HN 0.514 nan 8.290 nan 0.000 0.467 197 D N 0.507 120.846 120.400 -0.102 0.000 2.144 197 D HA 0.002 4.642 4.640 0.001 0.000 0.200 197 D C 2.260 178.532 176.300 -0.045 0.000 0.978 197 D CA 1.777 55.739 54.000 -0.064 0.000 0.833 197 D CB -0.021 40.750 40.800 -0.049 0.000 0.961 197 D HN 0.231 nan 8.370 nan 0.000 0.470 198 S N 0.672 116.348 115.700 -0.039 0.000 2.577 198 S HA 0.009 4.480 4.470 0.001 0.000 0.219 198 S C 0.566 175.154 174.600 -0.020 0.000 0.962 198 S CA -0.380 57.807 58.200 -0.023 0.000 0.921 198 S CB 0.106 63.297 63.200 -0.015 0.000 0.789 198 S HN 0.353 nan 8.310 nan 0.000 0.497 199 E N 1.234 121.417 120.200 -0.028 0.000 2.437 199 E HA 0.150 4.501 4.350 0.001 0.000 0.263 199 E C -0.870 175.709 176.600 -0.036 0.000 1.030 199 E CA -0.245 56.142 56.400 -0.021 0.000 0.934 199 E CB 0.530 30.222 29.700 -0.013 0.000 0.943 199 E HN -0.029 nan 8.360 nan 0.000 0.444 200 V N 4.418 124.312 119.914 -0.034 0.000 2.328 200 V HA 0.147 4.268 4.120 0.001 0.000 0.278 200 V C 0.222 176.269 176.094 -0.078 0.000 1.021 200 V CA -0.664 61.618 62.300 -0.031 0.000 0.838 200 V CB 0.554 32.374 31.823 -0.004 0.000 0.999 200 V HN 0.538 nan 8.190 nan 0.000 0.447 201 L N 5.357 126.487 121.223 -0.154 0.000 2.361 201 L HA 0.294 4.634 4.340 0.001 0.000 0.278 201 L C 0.146 176.939 176.870 -0.129 0.000 1.113 201 L CA -0.311 54.294 54.840 -0.390 0.000 0.849 201 L CB 0.873 42.455 42.059 -0.794 0.000 1.155 201 L HN 0.368 nan 8.230 nan 0.000 0.452 202 V N 3.565 123.477 119.914 -0.003 0.000 2.096 202 V HA 0.019 4.140 4.120 0.001 0.000 0.259 202 V C 0.594 176.807 176.094 0.198 0.000 1.420 202 V CA -0.175 62.205 62.300 0.133 0.000 1.336 202 V CB -0.398 31.518 31.823 0.155 0.000 1.394 202 V HN 0.791 nan 8.190 nan 0.000 0.494 203 W N 1.792 123.220 121.300 0.213 0.000 2.363 203 W HA -0.204 4.456 4.660 0.001 0.000 0.296 203 W C 2.740 179.332 176.519 0.122 0.000 1.212 203 W CA 1.559 59.033 57.345 0.215 0.000 1.260 203 W CB -0.420 29.139 29.460 0.164 0.000 1.131 203 W HN 0.649 nan 8.180 nan 0.000 0.530 204 S N -0.072 115.821 115.700 0.322 0.000 2.356 204 S HA -0.193 4.278 4.470 0.001 0.000 0.223 204 S C 1.660 176.352 174.600 0.154 0.000 1.032 204 S CA 1.576 59.903 58.200 0.211 0.000 1.005 204 S CB -1.095 62.202 63.200 0.162 0.000 0.867 204 S HN 0.173 nan 8.310 nan 0.000 0.449 205 S N 0.943 116.722 115.700 0.133 0.000 2.575 205 S HA 0.694 5.165 4.470 0.001 0.000 0.237 205 S C 0.418 175.050 174.600 0.052 0.000 0.975 205 S CA -0.204 58.052 58.200 0.093 0.000 0.960 205 S CB -0.129 63.130 63.200 0.098 0.000 0.822 205 S HN 0.768 nan 8.310 nan 0.000 0.472 206 A N 2.258 125.103 122.820 0.041 0.000 2.524 206 A HA 0.431 4.752 4.320 0.001 0.000 0.250 206 A C 0.408 177.956 177.584 -0.061 0.000 1.078 206 A CA -0.009 51.992 52.037 -0.060 0.000 0.761 206 A CB 0.170 19.103 19.000 -0.112 0.000 1.012 206 A HN 0.467 nan 8.150 nan 0.000 0.500 207 Q N 0.774 120.511 119.800 -0.105 0.000 2.204 207 Q HA 0.538 4.878 4.340 0.001 0.000 0.254 207 Q C 0.395 176.289 176.000 -0.177 0.000 0.981 207 Q CA -0.311 55.425 55.803 -0.111 0.000 0.897 207 Q CB 1.676 30.340 28.738 -0.124 0.000 1.273 207 Q HN 0.925 nan 8.270 nan 0.000 0.464 208 V N -0.163 119.613 119.914 -0.230 0.000 3.093 208 V HA 0.106 4.226 4.120 0.001 0.000 0.251 208 V C -1.922 173.935 176.094 -0.396 0.000 1.719 208 V CA -0.086 61.972 62.300 -0.404 0.000 1.026 208 V CB 0.155 31.546 31.823 -0.719 0.000 0.926 208 V HN 0.528 nan 8.190 nan 0.000 0.396 209 P HA 0.032 nan 4.420 nan 0.000 0.296 209 P C 1.287 178.648 177.300 0.102 0.000 1.358 209 P CA 0.449 63.587 63.100 0.062 0.000 0.876 209 P CB -0.019 31.722 31.700 0.068 0.000 1.471 210 L N -1.398 119.929 121.223 0.173 0.000 3.071 210 L HA -0.343 3.997 4.340 0.001 0.000 0.214 210 L C 1.999 178.949 176.870 0.133 0.000 1.083 210 L CA 2.128 57.062 54.840 0.157 0.000 0.829 210 L CB -1.818 40.311 42.059 0.117 0.000 0.927 210 L HN 0.483 nan 8.230 nan 0.000 0.464 211 E N -2.437 117.838 120.200 0.125 0.000 2.106 211 E HA -0.208 4.142 4.350 0.001 0.000 0.192 211 E C 2.022 178.690 176.600 0.112 0.000 0.984 211 E CA 1.242 57.700 56.400 0.097 0.000 0.806 211 E CB -0.243 29.508 29.700 0.085 0.000 0.750 211 E HN 0.597 nan 8.360 nan 0.000 0.458 212 F N 1.592 121.556 119.950 0.022 0.000 2.186 212 F HA -0.077 4.450 4.527 0.001 0.000 0.299 212 F C 2.220 178.030 175.800 0.017 0.000 1.090 212 F CA 1.213 59.220 58.000 0.012 0.000 1.307 212 F CB -0.145 38.859 39.000 0.006 0.000 1.019 212 F HN -0.067 nan 8.300 nan 0.000 0.489 213 A N 0.437 123.377 122.820 0.201 0.000 1.933 213 A HA -0.154 4.167 4.320 0.001 0.000 0.218 213 A C 2.088 179.651 177.584 -0.035 0.000 1.175 213 A CA 2.212 54.323 52.037 0.122 0.000 0.628 213 A CB -1.539 17.609 19.000 0.246 0.000 0.814 213 A HN 0.511 nan 8.150 nan 0.000 0.444 214 E N -0.573 119.613 120.200 -0.025 0.000 2.107 214 E HA 0.197 4.548 4.350 0.001 0.000 0.191 214 E C 2.103 178.632 176.600 -0.118 0.000 0.982 214 E CA 1.369 57.741 56.400 -0.047 0.000 0.809 214 E CB -1.014 nan 29.700 nan 0.000 0.756 214 E HN 1.028 nan 8.360 nan 0.000 0.459 215 A N 0.092 122.804 122.820 -0.181 0.000 2.248 215 A HA 0.009 4.330 4.320 0.001 0.000 0.210 215 A C 1.901 179.291 177.584 -0.323 0.000 1.174 215 A CA 0.821 52.719 52.037 -0.232 0.000 0.750 215 A CB -0.019 18.834 19.000 -0.245 0.000 0.780 215 A HN 0.192 nan 8.150 nan 0.000 0.478 216 R N -1.175 119.107 120.500 -0.364 0.000 2.509 216 R HA 0.189 4.529 4.340 0.001 0.000 0.300 216 R C 1.017 177.191 176.300 -0.210 0.000 0.985 216 R CA 0.433 56.332 56.100 -0.335 0.000 1.092 216 R CB -0.498 29.548 30.300 -0.423 0.000 1.237 216 R HN 0.668 nan 8.270 nan 0.000 0.546 217 G N 1.157 109.862 108.800 -0.159 0.000 2.305 217 G HA2 -0.356 3.605 3.960 0.001 0.000 0.287 217 G HA3 -0.356 3.605 3.960 0.001 0.000 0.287 217 G C 0.340 175.174 174.900 -0.110 0.000 1.036 217 G CA 0.892 45.927 45.100 -0.109 0.000 0.887 217 G HN 0.602 nan 8.290 nan 0.000 0.505 218 R N -1.352 119.077 120.500 -0.119 0.000 2.648 218 R HA 0.883 5.224 4.340 0.001 0.000 0.341 218 R C 0.721 177.067 176.300 0.076 0.000 1.154 218 R CA 0.998 57.021 56.100 -0.128 0.000 1.228 218 R CB -0.368 nan 30.300 nan 0.000 1.311 218 R HN 2.129 nan 8.270 nan 0.000 0.659 219 A N 1.640 124.508 122.820 0.080 0.000 2.600 219 A HA 0.308 4.628 4.320 0.001 0.000 0.244 219 A C 0.604 178.320 177.584 0.220 0.000 1.016 219 A CA 0.050 52.160 52.037 0.122 0.000 0.778 219 A CB -0.051 18.988 19.000 0.066 0.000 0.920 219 A HN 0.564 nan 8.150 nan 0.000 0.513 220 L N 3.053 124.416 121.223 0.234 0.000 2.534 220 L HA 0.105 4.446 4.340 0.001 0.000 0.271 220 L C 1.127 178.007 176.870 0.017 0.000 1.178 220 L CA 0.986 55.914 54.840 0.148 0.000 0.907 220 L CB 0.295 42.424 42.059 0.117 0.000 1.164 220 L HN 0.891 nan 8.230 nan 0.000 0.482 221 S N 5.630 121.309 115.700 -0.035 0.000 2.489 221 S HA 0.439 4.910 4.470 0.001 0.000 0.291 221 S C -1.569 172.954 174.600 -0.128 0.000 1.151 221 S CA -1.384 56.783 58.200 -0.057 0.000 1.082 221 S CB 1.733 64.923 63.200 -0.017 0.000 1.019 221 S HN 0.415 nan 8.310 nan 0.000 0.492 222 P HA -0.167 nan 4.420 nan 0.000 0.218 222 P C 0.627 177.839 177.300 -0.148 0.000 1.147 222 P CA 1.510 64.510 63.100 -0.166 0.000 0.827 222 P CB 0.069 31.699 31.700 -0.118 0.000 0.778 223 E N -1.421 118.717 120.200 -0.103 0.000 2.250 223 E HA -0.089 4.262 4.350 0.001 0.000 0.192 223 E C 1.425 177.972 176.600 -0.087 0.000 0.986 223 E CA 0.450 56.804 56.400 -0.077 0.000 0.849 223 E CB -0.338 29.336 29.700 -0.045 0.000 0.797 223 E HN 0.296 nan 8.360 nan 0.000 0.482 224 D N 1.216 121.540 120.400 -0.127 0.000 2.084 224 D HA -0.155 4.485 4.640 0.001 0.000 0.194 224 D C 1.943 178.152 176.300 -0.153 0.000 0.990 224 D CA 0.971 54.853 54.000 -0.196 0.000 0.826 224 D CB -0.191 40.383 40.800 -0.377 0.000 0.971 224 D HN 0.007 nan 8.370 nan 0.000 0.453 225 R N 0.673 121.029 120.500 -0.240 0.000 2.091 225 R HA -0.100 4.240 4.340 0.001 0.000 0.238 225 R C 2.071 178.290 176.300 -0.136 0.000 1.136 225 R CA 1.607 57.456 56.100 -0.418 0.000 0.959 225 R CB -0.156 29.652 30.300 -0.821 0.000 0.856 225 R HN 0.124 nan 8.270 nan 0.000 0.437 226 A N 0.017 122.765 122.820 -0.119 0.000 2.016 226 A HA -0.077 4.244 4.320 0.001 0.000 0.217 226 A C 2.096 179.692 177.584 0.019 0.000 1.162 226 A CA 1.064 53.079 52.037 -0.038 0.000 0.662 226 A CB -0.353 18.611 19.000 -0.059 0.000 0.812 226 A HN 0.328 nan 8.150 nan 0.000 0.450 227 R N -0.131 120.376 120.500 0.011 0.000 2.062 227 R HA -0.003 4.338 4.340 0.001 0.000 0.231 227 R C 1.865 178.209 176.300 0.074 0.000 1.136 227 R CA 1.651 57.768 56.100 0.028 0.000 0.948 227 R CB -0.396 29.907 30.300 0.004 0.000 0.845 227 R HN 0.519 nan 8.270 nan 0.000 0.430 228 I N 0.860 121.509 120.570 0.133 0.000 2.208 228 I HA -0.313 3.858 4.170 0.001 0.000 0.245 228 I C 2.221 178.451 176.117 0.188 0.000 1.097 228 I CA 1.457 62.882 61.300 0.208 0.000 1.363 228 I CB -0.472 37.761 38.000 0.389 0.000 1.051 228 I HN 0.377 nan 8.210 nan 0.000 0.413 229 D N 0.840 121.381 120.400 0.234 0.000 2.116 229 D HA -0.281 4.360 4.640 0.001 0.000 0.193 229 D C 2.011 178.339 176.300 0.047 0.000 0.998 229 D CA 1.892 55.973 54.000 0.135 0.000 0.836 229 D CB 0.071 40.965 40.800 0.157 0.000 0.951 229 D HN 0.332 nan 8.370 nan 0.000 0.449 230 E N -0.014 120.216 120.200 0.050 0.000 2.118 230 E HA -0.128 4.223 4.350 0.001 0.000 0.195 230 E C 2.027 178.641 176.600 0.024 0.000 0.992 230 E CA 1.919 58.335 56.400 0.026 0.000 0.804 230 E CB -0.760 28.955 29.700 0.025 0.000 0.741 230 E HN 0.293 nan 8.360 nan 0.000 0.458 231 G N -0.204 108.621 108.800 0.041 0.000 2.408 231 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 231 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 231 G C 1.646 176.564 174.900 0.030 0.000 1.150 231 G CA 0.951 46.075 45.100 0.041 0.000 0.776 231 G HN 0.248 nan 8.290 nan 0.000 0.542 232 V N 0.373 120.296 119.914 0.015 0.000 2.302 232 V HA -0.037 4.083 4.120 0.001 0.000 0.243 232 V C 2.694 178.776 176.094 -0.021 0.000 1.036 232 V CA 1.883 64.175 62.300 -0.013 0.000 1.020 232 V CB -0.477 31.286 31.823 -0.100 0.000 0.657 232 V HN 0.327 nan 8.190 nan 0.000 0.453 233 R N 0.017 120.496 120.500 -0.035 0.000 2.115 233 R HA -0.109 4.232 4.340 0.001 0.000 0.230 233 R C 2.281 178.565 176.300 -0.027 0.000 1.111 233 R CA 1.473 57.550 56.100 -0.038 0.000 0.976 233 R CB -0.025 30.253 30.300 -0.037 0.000 0.870 233 R HN 0.321 nan 8.270 nan 0.000 0.445 234 R N -0.495 119.997 120.500 -0.013 0.000 2.362 234 R HA 0.224 4.565 4.340 0.001 0.000 0.227 234 R C 1.465 177.762 176.300 -0.004 0.000 0.905 234 R CA 0.689 56.782 56.100 -0.011 0.000 1.067 234 R CB 0.217 30.514 30.300 -0.005 0.000 1.078 234 R HN 0.238 nan 8.270 nan 0.000 0.516 235 A N 0.879 123.701 122.820 0.003 0.000 1.869 235 A HA -0.226 4.094 4.320 0.001 0.000 0.218 235 A C 2.316 179.904 177.584 0.007 0.000 1.203 235 A CA 2.022 54.066 52.037 0.012 0.000 0.638 235 A CB -1.185 17.830 19.000 0.025 0.000 0.831 235 A HN 0.454 nan 8.150 nan 0.000 0.450 236 A N -2.296 120.527 122.820 0.006 0.000 1.978 236 A HA -0.148 4.172 4.320 0.001 0.000 0.220 236 A C 2.361 179.941 177.584 -0.007 0.000 1.170 236 A CA 2.007 54.045 52.037 0.003 0.000 0.636 236 A CB -1.202 17.794 19.000 -0.007 0.000 0.810 236 A HN 1.133 nan 8.150 nan 0.000 0.448 237 Y N 0.036 120.328 120.300 -0.014 0.000 2.242 237 Y HA -0.125 4.426 4.550 0.001 0.000 0.291 237 Y C 2.521 178.418 175.900 -0.005 0.000 1.137 237 Y CA 1.476 59.569 58.100 -0.012 0.000 1.181 237 Y CB -0.602 37.849 38.460 -0.015 0.000 0.989 237 Y HN 0.564 nan 8.280 nan 0.000 0.527 238 R N -0.204 120.295 120.500 -0.002 0.000 2.092 238 R HA -0.060 4.280 4.340 0.001 0.000 0.231 238 R C 2.317 178.617 176.300 0.000 0.000 1.119 238 R CA 1.907 58.008 56.100 0.001 0.000 0.970 238 R CB -0.405 29.898 30.300 0.005 0.000 0.864 238 R HN 0.482 nan 8.270 nan 0.000 0.440 239 I N 0.588 121.156 120.570 -0.003 0.000 2.252 239 I HA -0.243 3.927 4.170 0.001 0.000 0.245 239 I C 2.148 178.259 176.117 -0.011 0.000 1.102 239 I CA 1.261 62.554 61.300 -0.013 0.000 1.385 239 I CB -0.123 37.862 38.000 -0.025 0.000 1.064 239 I HN 0.104 nan 8.210 nan 0.000 0.414 240 I N 0.994 121.562 120.570 -0.003 0.000 2.315 240 I HA -0.226 3.944 4.170 0.001 0.000 0.248 240 I C 3.090 179.211 176.117 0.008 0.000 1.117 240 I CA 1.514 62.817 61.300 0.005 0.000 1.404 240 I CB -0.829 37.175 38.000 0.006 0.000 1.071 240 I HN 0.277 nan 8.210 nan 0.000 0.419 241 E N 1.266 121.469 120.200 0.005 0.000 2.110 241 E HA -0.139 4.211 4.350 0.001 0.000 0.193 241 E C 2.312 178.918 176.600 0.009 0.000 0.988 241 E CA 1.459 57.863 56.400 0.007 0.000 0.804 241 E CB -1.346 28.357 29.700 0.005 0.000 0.745 241 E HN 0.630 nan 8.360 nan 0.000 0.458 242 G N 0.288 109.093 108.800 0.009 0.000 2.494 242 G HA2 0.018 3.978 3.960 0.001 0.000 0.216 242 G HA3 0.018 3.978 3.960 0.001 0.000 0.216 242 G C 1.671 176.581 174.900 0.018 0.000 1.140 242 G CA 1.258 46.365 45.100 0.012 0.000 0.801 242 G HN 0.633 nan 8.290 nan 0.000 0.536 243 K N -2.584 117.827 120.400 0.018 0.000 2.588 243 K HA 0.419 4.740 4.320 0.001 0.000 0.216 243 K C 1.311 177.939 176.600 0.047 0.000 1.382 243 K CA 0.849 57.155 56.287 0.031 0.000 1.008 243 K CB 0.506 33.019 32.500 0.022 0.000 1.138 243 K HN 0.444 nan 8.250 nan 0.000 0.619 244 G N 0.360 109.182 108.800 0.036 0.000 2.232 244 G HA2 -0.054 3.906 3.960 0.001 0.000 0.226 244 G HA3 -0.054 3.906 3.960 0.001 0.000 0.226 244 G C 0.159 175.092 174.900 0.055 0.000 0.996 244 G CA -0.119 45.006 45.100 0.042 0.000 0.626 244 G HN 0.966 nan 8.290 nan 0.000 0.509 245 A N -1.649 121.215 122.820 0.075 0.000 2.597 245 A HA 0.814 5.135 4.320 0.001 0.000 0.292 245 A C -0.565 177.056 177.584 0.061 0.000 1.057 245 A CA 0.802 52.901 52.037 0.104 0.000 0.674 245 A CB 0.984 20.086 19.000 0.168 0.000 1.278 245 A HN 1.332 nan 8.150 nan 0.000 0.416 246 T N 0.045 114.629 114.554 0.050 0.000 2.859 246 T HA 0.673 5.023 4.350 0.001 0.000 0.281 246 T C 0.007 174.729 174.700 0.037 0.000 1.005 246 T CA 0.619 62.676 62.100 -0.072 0.000 1.025 246 T CB 0.493 69.354 68.868 -0.012 0.000 0.977 246 T HN 1.395 nan 8.240 nan 0.000 0.458 247 Y N 1.426 121.677 120.300 -0.081 0.000 2.473 247 Y HA 0.284 4.834 4.550 0.001 0.000 0.291 247 Y C 1.229 177.116 175.900 -0.022 0.000 1.042 247 Y CA -0.482 57.559 58.100 -0.098 0.000 0.996 247 Y CB -0.278 38.066 38.460 -0.195 0.000 1.385 247 Y HN 0.510 nan 8.280 nan 0.000 0.578 248 Y N 2.412 122.667 120.300 -0.075 0.000 2.181 248 Y HA 0.059 4.610 4.550 0.002 0.000 0.288 248 Y C 2.581 178.499 175.900 0.030 0.000 1.146 248 Y CA 1.608 59.725 58.100 0.028 0.000 1.164 248 Y CB -0.910 37.513 38.460 -0.062 0.000 0.982 248 Y HN 0.378 nan 8.280 nan 0.000 0.515 249 G N -0.430 108.463 108.800 0.154 0.000 2.414 249 G HA2 -0.235 3.725 3.960 0.001 0.000 0.215 249 G HA3 -0.235 3.725 3.960 0.001 0.000 0.215 249 G C 1.680 176.629 174.900 0.082 0.000 1.188 249 G CA 0.922 46.080 45.100 0.097 0.000 0.783 249 G HN 0.338 nan 8.290 nan 0.000 0.537 250 I N 2.065 122.680 120.570 0.075 0.000 2.454 250 I HA 0.047 4.218 4.170 0.001 0.000 0.254 250 I C 2.677 178.831 176.117 0.062 0.000 1.156 250 I CA 1.178 62.508 61.300 0.051 0.000 1.433 250 I CB -0.670 37.359 38.000 0.047 0.000 1.082 250 I HN 0.103 nan 8.210 nan 0.000 0.432 251 G N 0.022 108.887 108.800 0.108 0.000 2.446 251 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 251 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 251 G C 1.731 176.683 174.900 0.087 0.000 1.168 251 G CA 0.805 45.974 45.100 0.116 0.000 0.771 251 G HN 0.569 nan 8.290 nan 0.000 0.551 252 A N 0.698 123.572 122.820 0.090 0.000 1.929 252 A HA 0.244 4.564 4.320 0.001 0.000 0.216 252 A C 2.695 180.295 177.584 0.028 0.000 1.176 252 A CA 1.897 53.967 52.037 0.054 0.000 0.628 252 A CB -0.953 18.078 19.000 0.052 0.000 0.816 252 A HN 0.515 nan 8.150 nan 0.000 0.444 253 G N 0.034 108.850 108.800 0.026 0.000 2.418 253 G HA2 -0.180 3.780 3.960 0.001 0.000 0.217 253 G HA3 -0.180 3.780 3.960 0.001 0.000 0.217 253 G C 1.546 176.426 174.900 -0.033 0.000 1.158 253 G CA 1.072 46.174 45.100 0.003 0.000 0.771 253 G HN 0.425 nan 8.290 nan 0.000 0.545 254 L N 0.641 121.850 121.223 -0.023 0.000 2.083 254 L HA -0.047 4.294 4.340 0.001 0.000 0.209 254 L C 3.410 180.251 176.870 -0.048 0.000 1.083 254 L CA 0.956 55.771 54.840 -0.041 0.000 0.752 254 L CB -0.378 41.671 42.059 -0.016 0.000 0.899 254 L HN 0.309 nan 8.230 nan 0.000 0.433 255 A N 0.081 122.887 122.820 -0.022 0.000 1.902 255 A HA -0.255 4.065 4.320 0.001 0.000 0.217 255 A C 2.346 179.903 177.584 -0.044 0.000 1.181 255 A CA 1.815 53.838 52.037 -0.022 0.000 0.623 255 A CB -0.471 18.529 19.000 0.001 0.000 0.818 255 A HN 0.265 nan 8.150 nan 0.000 0.443 256 R N -0.688 119.784 120.500 -0.046 0.000 2.096 256 R HA -0.060 4.280 4.340 0.001 0.000 0.235 256 R C 1.761 177.959 176.300 -0.171 0.000 1.127 256 R CA 1.321 57.385 56.100 -0.060 0.000 0.968 256 R CB -0.840 29.455 30.300 -0.009 0.000 0.861 256 R HN 0.383 nan 8.270 nan 0.000 0.440 257 L N -0.424 120.660 121.223 -0.233 0.000 2.046 257 L HA -0.089 4.252 4.340 0.001 0.000 0.208 257 L C 2.244 178.993 176.870 -0.201 0.000 1.077 257 L CA 1.307 55.946 54.840 -0.335 0.000 0.747 257 L CB -0.723 41.179 42.059 -0.261 0.000 0.896 257 L HN 0.029 nan 8.230 nan 0.000 0.432 258 V N -0.557 119.284 119.914 -0.121 0.000 2.343 258 V HA -0.293 3.828 4.120 0.001 0.000 0.247 258 V C 2.726 178.781 176.094 -0.066 0.000 1.051 258 V CA 1.818 64.071 62.300 -0.078 0.000 1.036 258 V CB -0.643 31.150 31.823 -0.051 0.000 0.654 258 V HN 0.466 nan 8.190 nan 0.000 0.451 259 R N 0.302 120.763 120.500 -0.064 0.000 2.091 259 R HA -0.201 4.140 4.340 0.001 0.000 0.238 259 R C 2.307 178.586 176.300 -0.034 0.000 1.136 259 R CA 1.814 57.889 56.100 -0.041 0.000 0.959 259 R CB -0.475 29.807 30.300 -0.029 0.000 0.856 259 R HN 0.481 nan 8.270 nan 0.000 0.437 260 A N 1.083 123.866 122.820 -0.062 0.000 1.883 260 A HA -0.166 4.155 4.320 0.001 0.000 0.217 260 A C 2.179 179.750 177.584 -0.022 0.000 1.186 260 A CA 1.625 53.645 52.037 -0.030 0.000 0.624 260 A CB -0.541 18.387 19.000 -0.120 0.000 0.822 260 A HN 0.386 nan 8.150 nan 0.000 0.444 261 I N -0.374 120.166 120.570 -0.051 0.000 2.179 261 I HA -0.263 3.908 4.170 0.001 0.000 0.242 261 I C 2.367 178.474 176.117 -0.015 0.000 1.088 261 I CA 1.240 62.522 61.300 -0.031 0.000 1.357 261 I CB -0.321 37.654 38.000 -0.041 0.000 1.051 261 I HN 0.288 nan 8.210 nan 0.000 0.409 262 L N 0.087 121.299 121.223 -0.019 0.000 2.141 262 L HA -0.145 4.196 4.340 0.001 0.000 0.209 262 L C 2.418 179.286 176.870 -0.004 0.000 1.094 262 L CA 1.754 56.587 54.840 -0.011 0.000 0.763 262 L CB -0.854 41.196 42.059 -0.014 0.000 0.908 262 L HN 0.430 nan 8.230 nan 0.000 0.437 263 T N -5.197 109.357 114.554 -0.001 0.000 3.144 263 T HA 0.016 4.366 4.350 0.001 0.000 0.249 263 T C 0.649 175.358 174.700 0.014 0.000 1.089 263 T CA -0.009 62.095 62.100 0.007 0.000 0.989 263 T CB -0.133 68.741 68.868 0.009 0.000 0.992 263 T HN 0.217 nan 8.240 nan 0.000 0.540 264 D N 1.613 122.022 120.400 0.015 0.000 2.686 264 D HA -0.196 4.445 4.640 0.001 0.000 0.235 264 D C 0.736 177.056 176.300 0.033 0.000 1.160 264 D CA 0.919 54.932 54.000 0.022 0.000 0.645 264 D CB -1.326 39.484 40.800 0.018 0.000 1.039 264 D HN 0.775 nan 8.370 nan 0.000 0.423 265 E N 0.806 121.034 120.200 0.047 0.000 2.110 265 E HA -0.202 4.149 4.350 0.001 0.000 0.193 265 E C 0.626 177.270 176.600 0.072 0.000 0.988 265 E CA 1.298 57.738 56.400 0.066 0.000 0.804 265 E CB 0.040 29.802 29.700 0.103 0.000 0.745 265 E HN 0.433 nan 8.360 nan 0.000 0.458 266 K N -0.186 120.263 120.400 0.082 0.000 3.096 266 K HA -0.168 4.152 4.320 0.001 0.000 0.266 266 K C -0.070 176.584 176.600 0.090 0.000 1.043 266 K CA 0.196 56.531 56.287 0.079 0.000 0.758 266 K CB -1.827 30.703 32.500 0.050 0.000 1.260 266 K HN 0.341 nan 8.250 nan 0.000 0.481 267 G N -0.216 108.678 108.800 0.156 0.000 2.537 267 G HA2 0.484 4.445 3.960 0.001 0.000 0.273 267 G HA3 0.484 4.445 3.960 0.001 0.000 0.273 267 G C -0.228 174.695 174.900 0.037 0.000 1.189 267 G CA -0.711 44.440 45.100 0.085 0.000 0.881 267 G HN 0.072 nan 8.290 nan 0.000 0.535 268 V N 0.962 120.762 119.914 -0.190 0.000 2.407 268 V HA 0.427 4.548 4.120 0.001 0.000 0.278 268 V C -0.947 174.913 176.094 -0.390 0.000 1.037 268 V CA -0.222 61.996 62.300 -0.137 0.000 0.900 268 V CB 0.168 31.968 31.823 -0.040 0.000 0.983 268 V HN 0.577 nan 8.190 nan 0.000 0.459 269 Y N 1.190 121.494 120.300 0.006 0.000 2.492 269 Y HA 0.403 4.954 4.550 0.001 0.000 0.346 269 Y C 0.634 176.509 175.900 -0.041 0.000 0.997 269 Y CA -1.087 57.013 58.100 -0.000 0.000 1.025 269 Y CB 2.139 40.593 38.460 -0.009 0.000 1.263 269 Y HN 0.625 nan 8.280 nan 0.000 0.454 270 T N 0.641 115.258 114.554 0.106 0.000 3.455 270 T HA 0.486 4.837 4.350 0.001 0.000 0.286 270 T C -0.220 174.489 174.700 0.016 0.000 1.157 270 T CA -0.489 61.609 62.100 -0.003 0.000 1.090 270 T CB -1.402 67.464 68.868 -0.004 0.000 1.112 270 T HN 0.502 nan 8.240 nan 0.000 0.779 271 V N -0.079 119.841 119.914 0.011 0.000 2.919 271 V HA 0.809 4.930 4.120 0.001 0.000 0.316 271 V C 0.208 176.291 176.094 -0.018 0.000 1.077 271 V CA -1.171 61.126 62.300 -0.004 0.000 0.977 271 V CB 1.733 33.557 31.823 0.001 0.000 1.039 271 V HN 0.588 nan 8.190 nan 0.000 0.441 272 S N 1.439 117.130 115.700 -0.015 0.000 2.513 272 S HA 0.816 5.287 4.470 0.001 0.000 0.276 272 S C -0.133 174.468 174.600 0.002 0.000 1.254 272 S CA 0.332 58.528 58.200 -0.007 0.000 1.053 272 S CB 0.333 63.537 63.200 0.008 0.000 0.958 272 S HN 1.921 nan 8.310 nan 0.000 0.491 273 A N 3.776 126.591 122.820 -0.008 0.000 2.594 273 A HA 0.622 4.942 4.320 0.001 0.000 0.295 273 A C -0.975 176.593 177.584 -0.026 0.000 1.071 273 A CA -0.816 51.219 52.037 -0.002 0.000 0.685 273 A CB 0.588 19.582 19.000 -0.011 0.000 1.285 273 A HN 0.894 nan 8.150 nan 0.000 0.405 274 F N 2.098 121.919 119.950 -0.216 0.000 2.590 274 F HA 0.427 4.955 4.527 0.001 0.000 0.389 274 F C 0.808 176.476 175.800 -0.220 0.000 1.049 274 F CA 1.655 59.473 58.000 -0.303 0.000 1.199 274 F CB 0.518 39.022 39.000 -0.826 0.000 1.058 274 F HN 0.601 nan 8.300 nan 0.000 0.556 275 T N 7.135 121.232 114.554 -0.762 0.000 2.848 275 T HA 0.431 4.782 4.350 0.001 0.000 0.285 275 T C -1.957 172.361 174.700 -0.637 0.000 0.995 275 T CA -2.111 59.679 62.100 -0.516 0.000 0.970 275 T CB 1.907 70.636 68.868 -0.232 0.000 0.976 275 T HN 0.350 nan 8.240 nan 0.000 0.441 276 P HA -0.044 nan 4.420 nan 0.000 0.215 276 P C -0.251 176.940 177.300 -0.180 0.000 1.157 276 P CA 1.302 64.263 63.100 -0.233 0.000 0.874 276 P CB 0.113 31.770 31.700 -0.073 0.000 0.790 277 E N -2.685 117.427 120.200 -0.146 0.000 2.363 277 E HA 0.486 4.837 4.350 0.001 0.000 0.281 277 E C -1.827 174.726 176.600 -0.077 0.000 0.953 277 E CA -0.975 55.363 56.400 -0.104 0.000 0.778 277 E CB 1.179 30.836 29.700 -0.072 0.000 1.220 277 E HN -0.310 nan 8.360 nan 0.000 0.431 278 V N 3.152 123.036 119.914 -0.050 0.000 2.482 278 V HA 0.371 4.492 4.120 0.001 0.000 0.295 278 V C -0.371 175.729 176.094 0.009 0.000 1.026 278 V CA -0.879 61.427 62.300 0.010 0.000 0.856 278 V CB 1.302 33.144 31.823 0.032 0.000 1.001 278 V HN 0.872 nan 8.190 nan 0.000 0.424 279 E N 3.730 123.934 120.200 0.006 0.000 2.328 279 E HA -0.291 4.060 4.350 0.001 0.000 0.233 279 E C 1.326 177.918 176.600 -0.013 0.000 1.219 279 E CA 1.302 57.704 56.400 0.003 0.000 0.717 279 E CB -1.406 28.319 29.700 0.041 0.000 1.210 279 E HN 1.613 nan 8.360 nan 0.000 0.381 280 G N -2.189 106.593 108.800 -0.030 0.000 2.299 280 G HA2 -0.375 3.585 3.960 0.001 0.000 0.237 280 G HA3 -0.375 3.585 3.960 0.001 0.000 0.237 280 G C 0.419 175.302 174.900 -0.029 0.000 1.027 280 G CA 0.011 45.094 45.100 -0.029 0.000 0.619 280 G HN 0.435 nan 8.290 nan 0.000 0.513 281 V N 2.674 122.572 119.914 -0.027 0.000 2.508 281 V HA 0.530 4.650 4.120 0.001 0.000 0.281 281 V C 0.877 176.944 176.094 -0.045 0.000 1.041 281 V CA 0.000 62.282 62.300 -0.030 0.000 1.016 281 V CB 1.275 33.084 31.823 -0.023 0.000 0.984 281 V HN 0.378 nan 8.190 nan 0.000 0.478 282 L N 4.921 126.122 121.223 -0.037 0.000 2.322 282 L HA 0.559 4.900 4.340 0.001 0.000 0.279 282 L C 0.477 177.320 176.870 -0.044 0.000 1.036 282 L CA -0.393 54.422 54.840 -0.042 0.000 0.807 282 L CB 0.968 43.023 42.059 -0.006 0.000 1.226 282 L HN 0.769 nan 8.230 nan 0.000 0.433 286 S N 5.559 121.255 115.700 -0.006 0.000 2.442 286 S HA 0.952 5.422 4.470 0.001 0.000 0.297 286 S C -0.763 173.837 174.600 0.000 0.000 1.131 286 S CA -0.437 57.765 58.200 0.003 0.000 1.092 286 S CB 1.083 64.339 63.200 0.094 0.000 0.998 286 S HN 1.281 nan 8.310 nan 0.000 0.478 287 L N -0.182 121.028 121.223 -0.021 0.000 2.999 287 L HA 0.652 4.992 4.340 0.001 0.000 0.274 287 L C -0.650 176.202 176.870 -0.029 0.000 1.044 287 L CA -0.849 53.984 54.840 -0.012 0.000 0.943 287 L CB 0.816 42.867 42.059 -0.013 0.000 1.522 287 L HN 0.317 nan 8.230 nan 0.000 0.400 288 S N 1.183 116.866 115.700 -0.028 0.000 2.499 288 S HA 0.833 5.303 4.470 0.001 0.000 0.275 288 S C -0.259 174.281 174.600 -0.100 0.000 1.257 288 S CA -0.348 57.822 58.200 -0.050 0.000 1.050 288 S CB -0.107 63.073 63.200 -0.033 0.000 0.937 288 S HN 0.491 nan 8.310 nan 0.000 0.490 289 L N 3.443 124.588 121.223 -0.130 0.000 2.303 289 L HA 0.540 4.881 4.340 0.001 0.000 0.256 289 L C -2.667 174.048 176.870 -0.260 0.000 1.034 289 L CA -3.040 51.663 54.840 -0.229 0.000 0.832 289 L CB 1.868 43.815 42.059 -0.187 0.000 1.403 289 L HN 0.290 nan 8.230 nan 0.000 0.419 290 P HA 0.235 nan 4.420 nan 0.000 0.276 290 P C -1.366 175.829 177.300 -0.175 0.000 1.264 290 P CA -0.014 62.838 63.100 -0.413 0.000 0.769 290 P CB 0.336 31.583 31.700 -0.755 0.000 0.840 291 R N 3.099 123.559 120.500 -0.067 0.000 2.750 291 R HA 0.567 4.908 4.340 0.001 0.000 0.281 291 R C -0.199 176.133 176.300 0.053 0.000 0.972 291 R CA -1.074 55.024 56.100 -0.004 0.000 0.912 291 R CB 1.908 32.211 30.300 0.006 0.000 1.187 291 R HN 0.378 nan 8.270 nan 0.000 0.464 292 I N 3.180 123.780 120.570 0.049 0.000 2.379 292 I HA 0.093 4.264 4.170 0.001 0.000 0.290 292 I C -0.525 175.645 176.117 0.088 0.000 1.063 292 I CA -0.424 60.919 61.300 0.071 0.000 1.351 292 I CB 0.661 38.690 38.000 0.048 0.000 1.410 292 I HN 0.217 nan 8.210 nan 0.000 0.505 293 L N 7.482 128.788 121.223 0.138 0.000 2.305 293 L HA 0.816 5.157 4.340 0.001 0.000 0.284 293 L C 0.012 176.928 176.870 0.077 0.000 1.013 293 L CA 0.334 55.235 54.840 0.101 0.000 0.819 293 L CB 1.155 43.274 42.059 0.100 0.000 1.227 293 L HN 0.639 nan 8.230 nan 0.000 0.417 294 G N 2.435 111.261 108.800 0.042 0.000 3.085 294 G HA2 0.539 4.500 3.960 0.001 0.000 0.264 294 G HA3 0.539 4.500 3.960 0.001 0.000 0.264 294 G C 0.153 175.062 174.900 0.015 0.000 1.206 294 G CA -0.029 45.090 45.100 0.032 0.000 0.809 294 G HN 0.729 nan 8.290 nan 0.000 0.592 295 A N -0.937 121.892 122.820 0.014 0.000 2.067 295 A HA 0.293 4.614 4.320 0.001 0.000 0.219 295 A C 2.019 179.608 177.584 0.008 0.000 1.158 295 A CA 2.069 54.111 52.037 0.008 0.000 0.661 295 A CB -0.453 18.552 19.000 0.009 0.000 0.801 295 A HN 1.342 nan 8.150 nan 0.000 0.452 296 G N -1.563 107.245 108.800 0.014 0.000 3.434 296 G HA2 0.481 4.442 3.960 0.001 0.000 0.258 296 G HA3 0.481 4.442 3.960 0.001 0.000 0.258 296 G C 0.849 175.760 174.900 0.018 0.000 1.128 296 G CA 0.515 45.624 45.100 0.016 0.000 0.792 296 G HN 1.458 nan 8.290 nan 0.000 0.539 297 G N -0.548 108.260 108.800 0.013 0.000 2.527 297 G HA2 0.010 3.971 3.960 0.001 0.000 0.227 297 G HA3 0.010 3.971 3.960 0.001 0.000 0.227 297 G C 0.186 175.098 174.900 0.020 0.000 1.291 297 G CA 0.042 45.149 45.100 0.013 0.000 0.904 297 G HN 1.397 nan 8.290 nan 0.000 0.577 298 V N -0.613 119.314 119.914 0.022 0.000 2.686 298 V HA 0.749 4.869 4.120 0.001 0.000 0.295 298 V C 0.326 176.437 176.094 0.029 0.000 1.055 298 V CA 0.752 63.069 62.300 0.028 0.000 1.050 298 V CB 0.960 32.797 31.823 0.022 0.000 0.984 298 V HN 1.453 nan 8.190 nan 0.000 0.482 302 T N 0.329 114.898 114.554 0.024 0.000 2.829 302 T HA 0.562 4.913 4.350 0.001 0.000 0.280 302 T C -0.329 174.392 174.700 0.035 0.000 0.999 302 T CA -0.458 61.656 62.100 0.023 0.000 0.983 302 T CB 1.905 70.805 68.868 0.053 0.000 0.968 302 T HN 0.586 nan 8.240 nan 0.000 0.446 303 V N 3.875 123.790 119.914 0.001 0.000 2.257 303 V HA 0.246 4.367 4.120 0.001 0.000 0.269 303 V C -0.872 175.220 176.094 -0.002 0.000 1.040 303 V CA -0.890 61.420 62.300 0.018 0.000 0.813 303 V CB -0.274 31.555 31.823 0.010 0.000 1.065 303 V HN 0.825 nan 8.190 nan 0.000 0.457 304 Y N 7.997 128.272 120.300 -0.042 0.000 2.486 304 Y HA 0.422 4.973 4.550 0.001 0.000 0.348 304 Y C -1.225 174.672 175.900 -0.006 0.000 1.000 304 Y CA -2.147 55.926 58.100 -0.045 0.000 1.253 304 Y CB 0.906 39.347 38.460 -0.032 0.000 1.140 304 Y HN 0.498 nan 8.280 nan 0.000 0.526 305 P HA 0.054 nan 4.420 nan 0.000 0.272 305 P C -0.659 176.728 177.300 0.144 0.000 1.240 305 P CA -0.455 62.683 63.100 0.063 0.000 0.791 305 P CB 1.136 32.879 31.700 0.071 0.000 0.978 306 S N 0.324 116.109 115.700 0.141 0.000 2.528 306 S HA 0.358 4.829 4.470 0.001 0.000 0.277 306 S C -0.169 174.508 174.600 0.129 0.000 1.297 306 S CA -0.551 57.733 58.200 0.140 0.000 1.052 306 S CB -0.707 62.557 63.200 0.106 0.000 0.917 306 S HN 0.273 nan 8.310 nan 0.000 0.492 307 L N 3.908 125.214 121.223 0.138 0.000 2.342 307 L HA 0.527 4.868 4.340 0.001 0.000 0.271 307 L C 0.460 177.392 176.870 0.103 0.000 1.008 307 L CA -0.848 54.065 54.840 0.121 0.000 0.818 307 L CB 2.242 44.380 42.059 0.133 0.000 1.296 307 L HN 0.751 nan 8.230 nan 0.000 0.427 308 S N 1.018 116.776 115.700 0.098 0.000 2.632 308 S HA 0.394 4.865 4.470 0.001 0.000 0.267 308 S C -2.023 172.618 174.600 0.069 0.000 1.276 308 S CA -1.101 57.148 58.200 0.081 0.000 0.998 308 S CB 1.325 64.576 63.200 0.084 0.000 0.953 308 S HN 0.398 nan 8.310 nan 0.000 0.547 309 P HA -0.140 nan 4.420 nan 0.000 0.216 309 P C 1.594 178.919 177.300 0.043 0.000 1.153 309 P CA 1.088 64.213 63.100 0.043 0.000 0.858 309 P CB 0.025 31.744 31.700 0.032 0.000 0.789 310 E N 0.244 120.470 120.200 0.044 0.000 2.031 310 E HA -0.215 4.136 4.350 0.001 0.000 0.193 310 E C 1.903 178.534 176.600 0.051 0.000 0.994 310 E CA 1.567 57.992 56.400 0.042 0.000 0.800 310 E CB -0.426 29.299 29.700 0.041 0.000 0.752 310 E HN 0.327 nan 8.360 nan 0.000 0.447 311 E N 0.153 120.393 120.200 0.068 0.000 2.051 311 E HA -0.189 4.162 4.350 0.001 0.000 0.192 311 E C 2.319 178.956 176.600 0.060 0.000 0.991 311 E CA 1.105 57.548 56.400 0.072 0.000 0.799 311 E CB -0.230 29.526 29.700 0.093 0.000 0.748 311 E HN 0.119 nan 8.360 nan 0.000 0.449 312 R N 1.123 121.664 120.500 0.068 0.000 2.091 312 R HA -0.245 4.096 4.340 0.001 0.000 0.238 312 R C 2.213 178.543 176.300 0.051 0.000 1.136 312 R CA 1.845 57.988 56.100 0.071 0.000 0.959 312 R CB -0.056 30.289 30.300 0.076 0.000 0.856 312 R HN 0.011 nan 8.270 nan 0.000 0.437 313 E N 0.463 120.687 120.200 0.040 0.000 2.077 313 E HA -0.116 4.235 4.350 0.001 0.000 0.193 313 E C 1.724 178.338 176.600 0.024 0.000 0.989 313 E CA 1.748 58.165 56.400 0.028 0.000 0.800 313 E CB -0.312 29.401 29.700 0.023 0.000 0.746 313 E HN 0.445 nan 8.360 nan 0.000 0.452 314 A N 0.617 123.453 122.820 0.027 0.000 1.883 314 A HA -0.174 4.147 4.320 0.001 0.000 0.217 314 A C 2.240 179.836 177.584 0.019 0.000 1.186 314 A CA 1.742 53.792 52.037 0.022 0.000 0.624 314 A CB -0.967 18.048 19.000 0.026 0.000 0.822 314 A HN 0.389 nan 8.150 nan 0.000 0.444 315 L N -0.164 121.075 121.223 0.026 0.000 2.017 315 L HA -0.125 4.216 4.340 0.001 0.000 0.208 315 L C 2.488 179.372 176.870 0.024 0.000 1.073 315 L CA 2.456 57.310 54.840 0.023 0.000 0.745 315 L CB -0.700 41.379 42.059 0.034 0.000 0.894 315 L HN 0.478 nan 8.230 nan 0.000 0.432 316 R N -0.850 119.668 120.500 0.029 0.000 2.105 316 R HA -0.227 4.114 4.340 0.001 0.000 0.239 316 R C 2.466 178.772 176.300 0.009 0.000 1.135 316 R CA 1.696 57.808 56.100 0.019 0.000 0.967 316 R CB -0.144 30.166 30.300 0.018 0.000 0.861 316 R HN 0.274 nan 8.270 nan 0.000 0.442 317 R N -0.151 120.355 120.500 0.010 0.000 2.062 317 R HA -0.046 4.295 4.340 0.001 0.000 0.231 317 R C 2.457 178.760 176.300 0.005 0.000 1.136 317 R CA 1.866 57.969 56.100 0.005 0.000 0.948 317 R CB -0.558 29.745 30.300 0.006 0.000 0.845 317 R HN 0.083 nan 8.270 nan 0.000 0.430 318 S N -0.381 115.323 115.700 0.007 0.000 2.372 318 S HA -0.238 4.232 4.470 0.001 0.000 0.227 318 S C 1.895 176.499 174.600 0.008 0.000 1.044 318 S CA 1.527 59.731 58.200 0.006 0.000 1.050 318 S CB -0.432 62.771 63.200 0.005 0.000 0.901 318 S HN 0.549 nan 8.310 nan 0.000 0.447 319 A N 0.214 123.038 122.820 0.006 0.000 2.019 319 A HA -0.109 4.212 4.320 0.001 0.000 0.219 319 A C 1.982 179.569 177.584 0.004 0.000 1.164 319 A CA 1.710 53.749 52.037 0.003 0.000 0.644 319 A CB -0.503 18.496 19.000 -0.001 0.000 0.805 319 A HN 0.684 nan 8.150 nan 0.000 0.449 320 E N -0.190 120.011 120.200 0.002 0.000 2.051 320 E HA -0.101 4.250 4.350 0.001 0.000 0.189 320 E C 2.014 178.618 176.600 0.007 0.000 0.979 320 E CA 1.097 57.496 56.400 -0.002 0.000 0.803 320 E CB -0.226 29.469 29.700 -0.008 0.000 0.761 320 E HN 0.803 nan 8.360 nan 0.000 0.451 321 I N -1.025 119.552 120.570 0.011 0.000 2.226 321 I HA -0.230 3.941 4.170 0.001 0.000 0.245 321 I C 2.138 178.277 176.117 0.036 0.000 1.100 321 I CA 1.178 62.490 61.300 0.019 0.000 1.374 321 I CB -0.333 37.676 38.000 0.015 0.000 1.057 321 I HN 0.059 nan 8.210 nan 0.000 0.413 322 L N 1.102 122.346 121.223 0.035 0.000 2.046 322 L HA -0.210 4.130 4.340 0.001 0.000 0.208 322 L C 2.762 179.680 176.870 0.079 0.000 1.077 322 L CA 1.838 56.709 54.840 0.052 0.000 0.747 322 L CB -0.602 41.481 42.059 0.041 0.000 0.896 322 L HN 0.316 nan 8.230 nan 0.000 0.432 323 K N 1.218 121.657 120.400 0.066 0.000 2.103 323 K HA -0.239 4.082 4.320 0.001 0.000 0.207 323 K C 1.775 178.457 176.600 0.138 0.000 1.048 323 K CA 2.160 58.500 56.287 0.089 0.000 0.930 323 K CB -0.087 32.434 32.500 0.035 0.000 0.716 323 K HN 0.596 nan 8.250 nan 0.000 0.444 324 E N -1.191 119.070 120.200 0.101 0.000 2.400 324 E HA 0.160 4.511 4.350 0.001 0.000 0.195 324 E C 1.790 178.502 176.600 0.186 0.000 1.012 324 E CA 0.490 56.976 56.400 0.144 0.000 0.875 324 E CB -0.105 29.622 29.700 0.044 0.000 0.859 324 E HN 0.253 nan 8.360 nan 0.000 0.498 325 A N 2.098 124.998 122.820 0.134 0.000 1.858 325 A HA -0.011 4.310 4.320 0.001 0.000 0.216 325 A C 2.569 180.249 177.584 0.161 0.000 1.190 325 A CA 1.800 53.910 52.037 0.121 0.000 0.617 325 A CB -0.996 18.054 19.000 0.084 0.000 0.827 325 A HN 0.382 nan 8.150 nan 0.000 0.443 326 A N -1.487 121.447 122.820 0.191 0.000 1.940 326 A HA -0.121 4.199 4.320 0.001 0.000 0.219 326 A C 2.074 179.812 177.584 0.256 0.000 1.176 326 A CA 1.746 53.934 52.037 0.251 0.000 0.631 326 A CB -0.704 18.456 19.000 0.267 0.000 0.814 326 A HN 0.652 nan 8.150 nan 0.000 0.446 327 F N 0.527 120.535 119.950 0.098 0.000 2.206 327 F HA 0.077 4.604 4.527 0.001 0.000 0.298 327 F C 2.497 178.308 175.800 0.018 0.000 1.090 327 F CA 0.936 58.968 58.000 0.054 0.000 1.323 327 F CB -0.228 38.799 39.000 0.046 0.000 1.028 327 F HN 0.242 nan 8.300 nan 0.000 0.492 328 A N -0.069 122.859 122.820 0.180 0.000 2.019 328 A HA -0.158 4.163 4.320 0.001 0.000 0.219 328 A C 2.195 179.760 177.584 -0.033 0.000 1.164 328 A CA 1.510 53.591 52.037 0.072 0.000 0.644 328 A CB -0.937 18.122 19.000 0.098 0.000 0.805 328 A HN 0.500 nan 8.150 nan 0.000 0.449 329 L N -1.737 119.482 121.223 -0.006 0.000 2.567 329 L HA 0.219 4.560 4.340 0.001 0.000 0.225 329 L C 1.346 178.020 176.870 -0.328 0.000 1.119 329 L CA 0.789 55.623 54.840 -0.010 0.000 0.871 329 L CB 0.029 42.235 42.059 0.245 0.000 1.036 329 L HN 0.602 nan 8.230 nan 0.000 0.459 330 G N -0.211 108.323 108.800 -0.443 0.000 2.142 330 G HA2 -0.276 3.685 3.960 0.001 0.000 0.225 330 G HA3 -0.276 3.685 3.960 0.001 0.000 0.225 330 G C -0.241 174.109 174.900 -0.917 0.000 1.015 330 G CA -0.001 44.672 45.100 -0.712 0.000 0.716 330 G HN 0.234 nan 8.290 nan 0.000 0.508 331 F N 0.000 119.908 119.950 -0.071 0.000 2.286 331 F HA 0.000 4.528 4.527 0.001 0.000 0.279 331 F CA 0.000 58.007 58.000 0.011 0.000 1.383 331 F CB 0.000 39.020 39.000 0.034 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574