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 1xx1_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADNRRPIWNL AHMVNAVAQI PDFLDLGANA LEADVTFKGS VPTYTYHGTP DATA SEQUENCE cDFGRDcIRW EYFNVFLKTL REYTTPGNAK YRDGFILFVL DLKTGSLSND DATA SEQUENCE QVRPAGENVA KELLQNYWNN GNNGGRAYVV LSLPDIGHYE FVRGFKEVLK DATA SEQUENCE KEGHEDLLEK VGYDFSGPYL PSLPTLDATH EAYKKAGVDG HIWLSDGLTN DATA SEQUENCE FSPLGDMARL KEAIKSRDSA NGFINKIYYW SVDKVSTTKA ALDVGVDGIM DATA SEQUENCE TNYPNVLIGV LKESGYNDKY RLATYDDNPW ETFKN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.599 177.584 0.025 0.000 1.274 1 A CA 0.000 52.049 52.037 0.019 0.000 0.836 1 A CB 0.000 19.009 19.000 0.015 0.000 0.831 2 D N 2.116 122.536 120.400 0.033 0.000 2.336 2 D HA 0.225 4.864 4.640 -0.001 0.000 0.249 2 D C 0.347 176.691 176.300 0.074 0.000 1.213 2 D CA 0.228 54.250 54.000 0.037 0.000 0.870 2 D CB 0.566 41.383 40.800 0.028 0.000 1.076 2 D HN 0.421 nan 8.370 nan 0.000 0.483 3 N N 3.281 122.028 118.700 0.078 0.000 2.268 3 N HA -0.022 4.718 4.740 -0.001 0.000 0.204 3 N C 0.069 175.720 175.510 0.234 0.000 1.124 3 N CA -0.241 52.900 53.050 0.151 0.000 0.838 3 N CB 0.086 38.623 38.487 0.083 0.000 0.994 3 N HN 0.227 nan 8.380 nan 0.000 0.489 4 R N 0.739 121.294 120.500 0.091 0.000 2.539 4 R HA 0.170 4.510 4.340 -0.001 0.000 0.275 4 R C 0.276 176.450 176.300 -0.209 0.000 1.077 4 R CA -0.620 55.454 56.100 -0.045 0.000 1.097 4 R CB 1.264 31.517 30.300 -0.079 0.000 1.018 4 R HN 0.153 nan 8.270 nan 0.000 0.483 5 R N 3.893 124.067 120.500 -0.543 0.000 2.449 5 R HA 0.083 4.423 4.340 -0.001 0.000 0.296 5 R C -2.111 173.953 176.300 -0.393 0.000 1.047 5 R CA -1.297 54.170 56.100 -1.054 0.000 1.018 5 R CB 0.479 30.290 30.300 -0.816 0.000 0.962 5 R HN 0.336 nan 8.270 nan 0.000 0.428 6 P HA 0.095 nan 4.420 nan 0.000 0.276 6 P C -0.725 176.480 177.300 -0.159 0.000 1.235 6 P CA -0.064 62.901 63.100 -0.224 0.000 0.772 6 P CB 0.819 32.393 31.700 -0.211 0.000 0.871 7 I N 3.239 123.683 120.570 -0.211 0.000 2.404 7 I HA 0.301 4.471 4.170 -0.001 0.000 0.293 7 I C 0.326 176.363 176.117 -0.135 0.000 0.992 7 I CA -1.079 60.202 61.300 -0.032 0.000 1.149 7 I CB 1.144 39.137 38.000 -0.012 0.000 1.315 7 I HN 0.318 nan 8.210 nan 0.000 0.446 8 W N 4.802 126.110 121.300 0.014 0.000 2.331 8 W HA 0.186 4.846 4.660 0.000 0.000 0.306 8 W C 0.429 177.008 176.519 0.101 0.000 1.162 8 W CA -0.430 56.972 57.345 0.095 0.000 1.232 8 W CB 1.245 30.825 29.460 0.200 0.000 1.235 8 W HN 0.457 nan 8.180 nan 0.000 0.479 9 N N 4.607 123.433 118.700 0.210 0.000 2.678 9 N HA 0.239 4.979 4.740 -0.001 0.000 0.231 9 N C -1.275 174.358 175.510 0.204 0.000 1.038 9 N CA -0.157 52.996 53.050 0.171 0.000 0.932 9 N CB 0.100 38.643 38.487 0.094 0.000 1.176 9 N HN 0.268 nan 8.380 nan 0.000 0.511 10 L N 2.246 123.610 121.223 0.234 0.000 2.255 10 L HA 0.500 4.839 4.340 -0.001 0.000 0.289 10 L C 0.703 177.639 176.870 0.110 0.000 1.046 10 L CA -0.697 54.269 54.840 0.209 0.000 0.816 10 L CB 1.143 43.355 42.059 0.256 0.000 1.197 10 L HN 0.400 nan 8.230 nan 0.000 0.427 11 A N 3.350 126.180 122.820 0.016 0.000 2.492 11 A HA 0.080 4.400 4.320 -0.001 0.000 0.254 11 A C -0.034 177.380 177.584 -0.283 0.000 1.091 11 A CA -0.133 51.793 52.037 -0.184 0.000 0.768 11 A CB -0.260 18.512 19.000 -0.379 0.000 1.028 11 A HN 0.793 nan 8.150 nan 0.000 0.498 12 H N 3.190 122.024 119.070 -0.394 0.000 2.646 12 H HA 0.283 4.838 4.556 -0.001 0.000 0.325 12 H C 0.415 175.471 175.328 -0.454 0.000 1.075 12 H CA 0.087 55.930 56.048 -0.342 0.000 1.421 12 H CB 0.287 29.905 29.762 -0.240 0.000 1.461 12 H HN 0.856 nan 8.280 nan 0.000 0.525 13 M N 4.541 123.688 119.600 -0.755 0.000 2.632 13 M HA -0.200 4.280 4.480 -0.001 0.000 0.184 13 M C -1.691 174.298 176.300 -0.519 0.000 0.976 13 M CA 0.169 55.029 55.300 -0.735 0.000 0.612 13 M CB -0.808 31.130 32.600 -1.104 0.000 1.181 13 M HN 0.269 nan 8.290 nan 0.000 0.840 14 V N 2.696 122.360 119.914 -0.418 0.000 2.240 14 V HA 0.186 4.305 4.120 -0.001 0.000 0.265 14 V C 0.708 176.731 176.094 -0.118 0.000 1.073 14 V CA 0.112 62.242 62.300 -0.283 0.000 0.857 14 V CB 0.990 32.619 31.823 -0.324 0.000 1.114 14 V HN 0.671 nan 8.190 nan 0.000 0.469 15 N N 2.110 120.736 118.700 -0.124 0.000 2.205 15 N HA 0.375 5.115 4.740 -0.001 0.000 0.201 15 N C 0.504 176.003 175.510 -0.018 0.000 1.128 15 N CA 0.104 53.028 53.050 -0.211 0.000 0.867 15 N CB 0.883 39.292 38.487 -0.130 0.000 0.996 15 N HN 0.670 nan 8.380 nan 0.000 0.503 16 A N 0.368 123.258 122.820 0.117 0.000 2.342 16 A HA 0.403 4.723 4.320 -0.001 0.000 0.323 16 A C 1.296 178.993 177.584 0.187 0.000 1.125 16 A CA -0.754 51.343 52.037 0.100 0.000 0.785 16 A CB 0.812 19.796 19.000 -0.027 0.000 1.221 16 A HN 0.031 nan 8.150 nan 0.000 0.463 17 V N 0.178 120.171 119.914 0.131 0.000 2.469 17 V HA -0.163 3.957 4.120 -0.001 0.000 0.251 17 V C 2.209 178.292 176.094 -0.018 0.000 1.064 17 V CA 2.466 64.772 62.300 0.011 0.000 1.066 17 V CB -1.542 30.269 31.823 -0.020 0.000 0.667 17 V HN 1.111 nan 8.190 nan 0.000 0.461 18 A N -0.154 122.660 122.820 -0.010 0.000 2.019 18 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 18 A C 2.217 179.793 177.584 -0.015 0.000 1.164 18 A CA 1.931 53.959 52.037 -0.014 0.000 0.644 18 A CB -0.559 18.424 19.000 -0.028 0.000 0.805 18 A HN 0.710 nan 8.150 nan 0.000 0.449 19 Q N -0.778 119.037 119.800 0.026 0.000 2.311 19 Q HA 0.070 4.410 4.340 -0.001 0.000 0.203 19 Q C 1.780 177.839 176.000 0.099 0.000 0.954 19 Q CA 0.601 56.464 55.803 0.100 0.000 0.885 19 Q CB -0.179 28.714 28.738 0.259 0.000 0.963 19 Q HN 0.744 nan 8.270 nan 0.000 0.471 20 I N 1.920 122.443 120.570 -0.078 0.000 2.099 20 I HA -0.247 3.923 4.170 -0.001 0.000 0.239 20 I C -0.640 175.258 176.117 -0.364 0.000 1.066 20 I CA 1.308 62.417 61.300 -0.317 0.000 1.324 20 I CB -1.286 36.310 38.000 -0.673 0.000 1.037 20 I HN 0.168 nan 8.210 nan 0.000 0.401 21 P HA -0.125 nan 4.420 nan 0.000 0.221 21 P C 0.730 177.956 177.300 -0.124 0.000 1.150 21 P CA 1.510 64.494 63.100 -0.194 0.000 0.800 21 P CB -0.087 31.615 31.700 0.003 0.000 0.787 22 D N -0.454 119.868 120.400 -0.129 0.000 2.117 22 D HA -0.100 4.539 4.640 -0.001 0.000 0.198 22 D C 1.878 178.025 176.300 -0.254 0.000 0.982 22 D CA 1.030 54.911 54.000 -0.198 0.000 0.828 22 D CB -0.937 39.698 40.800 -0.275 0.000 0.967 22 D HN 0.146 nan 8.370 nan 0.000 0.464 23 F N 0.744 120.613 119.950 -0.135 0.000 2.186 23 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 23 F C 2.389 178.104 175.800 -0.143 0.000 1.090 23 F CA 0.592 58.516 58.000 -0.127 0.000 1.307 23 F CB -0.432 38.480 39.000 -0.146 0.000 1.019 23 F HN -0.075 nan 8.300 nan 0.000 0.489 24 L N -0.501 120.693 121.223 -0.048 0.000 2.046 24 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 24 L C 1.974 178.815 176.870 -0.047 0.000 1.077 24 L CA 1.171 55.950 54.840 -0.102 0.000 0.747 24 L CB -0.688 41.248 42.059 -0.205 0.000 0.896 24 L HN 0.037 nan 8.230 nan 0.000 0.432 25 D N 0.217 120.582 120.400 -0.058 0.000 2.178 25 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 25 D C 2.318 178.596 176.300 -0.036 0.000 0.980 25 D CA 1.065 55.038 54.000 -0.045 0.000 0.842 25 D CB -0.089 40.675 40.800 -0.059 0.000 0.948 25 D HN 0.278 nan 8.370 nan 0.000 0.472 26 L N -0.928 120.271 121.223 -0.041 0.000 2.376 26 L HA 0.054 4.393 4.340 -0.001 0.000 0.219 26 L C 1.623 178.509 176.870 0.026 0.000 1.133 26 L CA 0.950 55.784 54.840 -0.010 0.000 0.816 26 L CB -0.031 42.023 42.059 -0.007 0.000 0.933 26 L HN 0.223 nan 8.230 nan 0.000 0.449 27 G N -1.142 107.673 108.800 0.026 0.000 2.227 27 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.168 27 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.168 27 G C 0.324 175.250 174.900 0.043 0.000 1.006 27 G CA -0.243 44.873 45.100 0.028 0.000 0.684 27 G HN 0.389 nan 8.290 nan 0.000 0.489 28 A N 0.740 123.597 122.820 0.062 0.000 2.498 28 A HA 0.495 4.815 4.320 -0.001 0.000 0.239 28 A C 1.235 178.858 177.584 0.065 0.000 1.068 28 A CA 0.980 53.062 52.037 0.075 0.000 0.766 28 A CB 0.183 19.230 19.000 0.078 0.000 1.003 28 A HN 1.017 nan 8.150 nan 0.000 0.497 29 N N 0.556 119.321 118.700 0.110 0.000 2.236 29 N HA 0.417 5.157 4.740 -0.001 0.000 0.196 29 N C -0.180 175.563 175.510 0.387 0.000 1.114 29 N CA 0.611 53.766 53.050 0.175 0.000 0.859 29 N CB 0.309 38.821 38.487 0.042 0.000 0.982 29 N HN 0.848 nan 8.380 nan 0.000 0.493 30 A N 0.282 123.310 122.820 0.346 0.000 2.610 30 A HA 0.718 5.038 4.320 -0.001 0.000 0.291 30 A C -1.527 176.225 177.584 0.281 0.000 1.086 30 A CA -0.928 51.403 52.037 0.490 0.000 0.677 30 A CB 1.167 20.469 19.000 0.504 0.000 1.278 30 A HN 0.270 nan 8.150 nan 0.000 0.414 31 L N -1.309 120.125 121.223 0.352 0.000 2.409 31 L HA 0.906 5.245 4.340 -0.001 0.000 0.255 31 L C -1.145 175.836 176.870 0.185 0.000 1.027 31 L CA -0.549 54.367 54.840 0.127 0.000 0.834 31 L CB 2.192 44.226 42.059 -0.042 0.000 1.426 31 L HN 0.858 nan 8.230 nan 0.000 0.411 32 E N 1.660 121.884 120.200 0.041 0.000 2.234 32 E HA 0.739 5.088 4.350 -0.001 0.000 0.266 32 E C -1.836 174.734 176.600 -0.049 0.000 0.877 32 E CA -0.556 55.865 56.400 0.035 0.000 0.758 32 E CB 2.371 32.065 29.700 -0.011 0.000 1.170 32 E HN 0.924 nan 8.360 nan 0.000 0.415 33 A N 4.128 126.940 122.820 -0.013 0.000 2.401 33 A HA 0.493 4.812 4.320 -0.001 0.000 0.310 33 A C -1.029 176.488 177.584 -0.111 0.000 1.075 33 A CA -0.807 51.136 52.037 -0.157 0.000 0.746 33 A CB 1.185 19.984 19.000 -0.335 0.000 1.277 33 A HN 0.608 nan 8.150 nan 0.000 0.425 34 D N 1.861 122.174 120.400 -0.144 0.000 2.317 34 D HA 0.371 5.011 4.640 -0.001 0.000 0.234 34 D C -0.713 175.540 176.300 -0.078 0.000 1.112 34 D CA 0.099 54.053 54.000 -0.078 0.000 0.840 34 D CB 1.796 42.556 40.800 -0.066 0.000 1.078 34 D HN 0.144 nan 8.370 nan 0.000 0.486 35 V N 3.224 123.092 119.914 -0.077 0.000 2.348 35 V HA 0.167 4.286 4.120 -0.001 0.000 0.270 35 V C 0.983 176.984 176.094 -0.156 0.000 1.037 35 V CA -0.522 61.638 62.300 -0.234 0.000 0.872 35 V CB 1.079 32.655 31.823 -0.412 0.000 1.002 35 V HN 0.584 nan 8.190 nan 0.000 0.464 36 T N 2.374 116.853 114.554 -0.124 0.000 2.899 36 T HA 0.687 5.037 4.350 -0.001 0.000 0.284 36 T C -0.710 173.845 174.700 -0.241 0.000 1.004 36 T CA -0.265 61.851 62.100 0.027 0.000 1.043 36 T CB 0.962 69.951 68.868 0.202 0.000 1.013 36 T HN 0.194 nan 8.240 nan 0.000 0.518 37 F N 0.307 120.258 119.950 0.000 0.000 2.563 37 F HA 0.550 5.076 4.527 -0.001 0.000 0.316 37 F C 0.384 176.183 175.800 -0.002 0.000 1.076 37 F CA -1.193 56.797 58.000 -0.016 0.000 0.921 37 F CB 2.396 41.395 39.000 -0.002 0.000 1.209 37 F HN 0.287 nan 8.300 nan 0.000 0.462 38 K N 2.306 122.794 120.400 0.147 0.000 2.464 38 K HA 0.471 4.791 4.320 -0.001 0.000 0.252 38 K C 0.497 177.165 176.600 0.112 0.000 1.000 38 K CA 0.021 56.362 56.287 0.091 0.000 0.951 38 K CB 1.061 33.570 32.500 0.015 0.000 1.183 38 K HN 0.850 nan 8.250 nan 0.000 0.445 39 G N 2.575 111.439 108.800 0.106 0.000 2.651 39 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.315 39 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.315 39 G C 0.727 175.712 174.900 0.141 0.000 1.258 39 G CA 0.890 46.039 45.100 0.081 0.000 1.002 39 G HN 0.587 nan 8.290 nan 0.000 0.551 40 S N -0.587 115.186 115.700 0.122 0.000 2.631 40 S HA 0.457 4.927 4.470 -0.001 0.000 0.217 40 S C 0.589 175.393 174.600 0.340 0.000 0.958 40 S CA 0.794 59.094 58.200 0.168 0.000 0.920 40 S CB 0.368 63.605 63.200 0.061 0.000 0.776 40 S HN 1.161 nan 8.310 nan 0.000 0.517 41 V N 4.981 125.060 119.914 0.275 0.000 2.348 41 V HA 0.398 4.518 4.120 -0.001 0.000 0.270 41 V C -2.287 173.774 176.094 -0.054 0.000 1.037 41 V CA -2.225 60.156 62.300 0.136 0.000 0.872 41 V CB 0.974 32.825 31.823 0.047 0.000 1.002 41 V HN 0.282 nan 8.190 nan 0.000 0.464 42 P HA 0.197 nan 4.420 nan 0.000 0.271 42 P C 0.099 177.124 177.300 -0.458 0.000 1.220 42 P CA 0.212 62.717 63.100 -0.991 0.000 0.768 42 P CB 1.563 32.685 31.700 -0.962 0.000 0.848 43 T N 1.892 116.156 114.554 -0.483 0.000 3.182 43 T HA 0.163 4.513 4.350 -0.001 0.000 0.244 43 T C -0.009 174.528 174.700 -0.272 0.000 0.981 43 T CA 0.852 62.741 62.100 -0.352 0.000 1.182 43 T CB -0.129 68.455 68.868 -0.474 0.000 1.043 43 T HN 0.327 nan 8.240 nan 0.000 0.424 44 Y N 1.398 121.692 120.300 -0.010 0.000 2.602 44 Y HA 0.491 5.041 4.550 0.000 0.000 0.342 44 Y C 0.127 176.047 175.900 0.033 0.000 1.029 44 Y CA -1.435 56.719 58.100 0.089 0.000 1.080 44 Y CB 1.474 39.947 38.460 0.022 0.000 1.284 44 Y HN -0.046 nan 8.280 nan 0.000 0.485 45 T N -0.354 114.363 114.554 0.273 0.000 2.744 45 T HA 0.559 4.909 4.350 -0.001 0.000 0.291 45 T C -1.356 173.449 174.700 0.174 0.000 0.957 45 T CA -0.549 61.553 62.100 0.004 0.000 1.002 45 T CB 0.561 69.123 68.868 -0.510 0.000 0.919 45 T HN 0.602 nan 8.240 nan 0.000 0.468 46 Y N 2.069 122.346 120.300 -0.038 0.000 2.452 46 Y HA 0.261 4.811 4.550 -0.001 0.000 0.323 46 Y C -0.202 175.690 175.900 -0.015 0.000 1.244 46 Y CA -1.040 57.051 58.100 -0.015 0.000 1.158 46 Y CB 0.726 39.137 38.460 -0.082 0.000 1.332 46 Y HN 0.783 nan 8.280 nan 0.000 0.456 47 H N 3.504 122.121 119.070 -0.756 0.000 2.368 47 H HA 0.488 5.044 4.556 -0.000 0.000 0.311 47 H C 0.728 175.551 175.328 -0.842 0.000 1.042 47 H CA 1.860 57.544 56.048 -0.606 0.000 1.377 47 H CB 0.915 30.428 29.762 -0.415 0.000 1.473 47 H HN 1.240 nan 8.280 nan 0.000 0.593 48 G N 0.578 108.801 108.800 -0.961 0.000 2.712 48 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.683 48 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.683 48 G C -0.186 174.669 174.900 -0.075 0.000 1.320 48 G CA -0.052 44.692 45.100 -0.594 0.000 0.847 48 G HN 0.655 nan 8.290 nan 0.000 0.553 49 T N 0.160 114.706 114.554 -0.013 0.000 2.922 49 T HA 0.764 5.113 4.350 -0.001 0.000 0.285 49 T C -1.316 173.405 174.700 0.035 0.000 1.005 49 T CA -0.439 61.684 62.100 0.038 0.000 1.061 49 T CB 1.673 70.561 68.868 0.033 0.000 1.007 49 T HN 0.823 nan 8.240 nan 0.000 0.502 50 P HA 0.533 nan 4.420 nan 0.000 0.276 50 P C -0.428 176.960 177.300 0.148 0.000 1.252 50 P CA -0.591 62.559 63.100 0.083 0.000 0.802 50 P CB 0.434 32.179 31.700 0.076 0.000 1.035 51 c N -1.732 116.919 118.600 0.084 0.000 3.311 51 c HA 0.492 5.062 4.570 -0.001 0.000 0.366 51 c C -0.645 173.469 174.090 0.041 0.000 1.694 51 c CA -0.853 55.483 56.329 0.013 0.000 1.244 51 c CB 0.712 43.072 42.510 -0.250 0.000 2.038 51 c HN 0.474 nan 8.230 nan 0.000 0.436 52 D N 0.738 121.160 120.400 0.037 0.000 2.472 52 D HA 0.217 4.857 4.640 -0.001 0.000 0.237 52 D C -0.310 176.072 176.300 0.136 0.000 1.141 52 D CA 0.452 54.527 54.000 0.125 0.000 0.875 52 D CB 0.112 41.001 40.800 0.149 0.000 1.192 52 D HN 0.518 nan 8.370 nan 0.000 0.450 53 F N 0.746 120.738 119.950 0.070 0.000 2.607 53 F HA 0.218 4.745 4.527 -0.001 0.000 0.374 53 F C 1.748 177.618 175.800 0.116 0.000 1.104 53 F CA 1.593 59.640 58.000 0.078 0.000 1.296 53 F CB 0.474 39.519 39.000 0.076 0.000 1.085 53 F HN 0.539 nan 8.300 nan 0.000 0.584 54 G N 3.328 111.935 108.800 -0.322 0.000 2.159 54 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.256 54 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.256 54 G C -0.079 174.826 174.900 0.009 0.000 0.977 54 G CA -0.338 44.715 45.100 -0.077 0.000 0.652 54 G HN 0.579 nan 8.290 nan 0.000 0.531 55 R N 0.493 120.960 120.500 -0.055 0.000 2.621 55 R HA 0.441 4.781 4.340 -0.001 0.000 0.292 55 R C -1.075 175.182 176.300 -0.071 0.000 0.969 55 R CA -0.981 55.098 56.100 -0.036 0.000 0.887 55 R CB 1.160 31.431 30.300 -0.050 0.000 1.180 55 R HN 0.148 nan 8.270 nan 0.000 0.450 56 D N 0.874 121.245 120.400 -0.048 0.000 2.389 56 D HA 0.074 4.713 4.640 -0.001 0.000 0.247 56 D C 0.620 176.884 176.300 -0.059 0.000 1.128 56 D CA 0.007 53.982 54.000 -0.041 0.000 0.884 56 D CB 1.096 41.889 40.800 -0.013 0.000 1.194 56 D HN 0.474 nan 8.370 nan 0.000 0.441 57 c N 1.380 119.948 118.600 -0.053 0.000 2.780 57 c HA 0.131 4.701 4.570 -0.001 0.000 0.267 57 c C 1.887 175.926 174.090 -0.084 0.000 1.266 57 c CA -0.385 55.890 56.329 -0.091 0.000 1.709 57 c CB -0.916 41.567 42.510 -0.044 0.000 1.975 57 c HN 0.654 nan 8.230 nan 0.000 0.582 58 I N -2.666 117.924 120.570 0.032 0.000 3.936 58 I HA 0.343 4.512 4.170 -0.001 0.000 0.330 58 I C 0.260 176.584 176.117 0.346 0.000 1.509 58 I CA -0.247 61.180 61.300 0.212 0.000 1.126 58 I CB -0.226 37.931 38.000 0.263 0.000 1.115 58 I HN -0.078 nan 8.210 nan 0.000 0.424 59 R N 3.205 123.822 120.500 0.194 0.000 2.643 59 R HA 0.259 4.599 4.340 -0.001 0.000 0.270 59 R C -0.767 175.720 176.300 0.313 0.000 1.061 59 R CA 0.229 56.439 56.100 0.183 0.000 1.107 59 R CB 0.463 30.797 30.300 0.057 0.000 0.999 59 R HN 0.655 nan 8.270 nan 0.000 0.460 60 W N -0.137 121.177 121.300 0.023 0.000 2.989 60 W HA 0.559 5.219 4.660 -0.001 0.000 0.344 60 W C -1.331 175.173 176.519 -0.026 0.000 1.233 60 W CA -0.678 56.663 57.345 -0.006 0.000 1.187 60 W CB 1.149 30.537 29.460 -0.120 0.000 1.443 60 W HN 0.479 nan 8.180 nan 0.000 0.573 61 E N 0.213 120.546 120.200 0.221 0.000 2.407 61 E HA 0.434 4.784 4.350 -0.001 0.000 0.279 61 E C -1.925 174.927 176.600 0.421 0.000 1.012 61 E CA -0.744 55.690 56.400 0.057 0.000 0.800 61 E CB 1.331 31.137 29.700 0.177 0.000 1.276 61 E HN 0.263 nan 8.360 nan 0.000 0.452 62 Y N 2.585 123.207 120.300 0.537 0.000 2.497 62 Y HA 0.084 4.634 4.550 -0.000 0.000 0.334 62 Y C 1.346 177.459 175.900 0.354 0.000 1.199 62 Y CA 0.245 58.606 58.100 0.437 0.000 1.425 62 Y CB 0.204 38.837 38.460 0.289 0.000 1.291 62 Y HN 0.648 nan 8.280 nan 0.000 0.562 63 F N 3.425 123.539 119.950 0.273 0.000 2.095 63 F HA -0.304 4.223 4.527 -0.001 0.000 0.298 63 F C 1.881 177.798 175.800 0.195 0.000 1.104 63 F CA 2.170 60.272 58.000 0.171 0.000 1.232 63 F CB -0.433 38.588 39.000 0.035 0.000 0.987 63 F HN 0.688 nan 8.300 nan 0.000 0.475 64 N N 0.553 119.285 118.700 0.054 0.000 2.120 64 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 64 N C 1.743 177.239 175.510 -0.024 0.000 1.024 64 N CA 2.090 55.081 53.050 -0.099 0.000 0.852 64 N CB -1.404 37.069 38.487 -0.023 0.000 1.003 64 N HN 0.295 nan 8.380 nan 0.000 0.424 65 V N 0.245 120.227 119.914 0.114 0.000 2.343 65 V HA -0.166 3.954 4.120 -0.001 0.000 0.247 65 V C 2.082 178.228 176.094 0.087 0.000 1.051 65 V CA 1.462 63.829 62.300 0.111 0.000 1.036 65 V CB -0.882 31.062 31.823 0.202 0.000 0.654 65 V HN 0.153 nan 8.190 nan 0.000 0.451 66 F N 0.264 120.216 119.950 0.003 0.000 2.095 66 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 66 F C 2.112 177.835 175.800 -0.128 0.000 1.104 66 F CA 1.706 59.684 58.000 -0.036 0.000 1.232 66 F CB -0.207 38.809 39.000 0.027 0.000 0.987 66 F HN 0.009 nan 8.300 nan 0.000 0.475 67 L N 0.263 121.419 121.223 -0.113 0.000 2.046 67 L HA -0.262 4.078 4.340 -0.001 0.000 0.208 67 L C 2.617 179.428 176.870 -0.098 0.000 1.077 67 L CA 1.823 56.532 54.840 -0.219 0.000 0.747 67 L CB -0.874 40.972 42.059 -0.355 0.000 0.896 67 L HN 0.151 nan 8.230 nan 0.000 0.432 68 K N 0.027 120.374 120.400 -0.088 0.000 2.063 68 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 68 K C 1.894 178.463 176.600 -0.051 0.000 1.048 68 K CA 2.035 58.289 56.287 -0.055 0.000 0.928 68 K CB -0.100 32.374 32.500 -0.042 0.000 0.713 68 K HN 0.244 nan 8.250 nan 0.000 0.442 69 T N 2.048 116.548 114.554 -0.090 0.000 2.821 69 T HA -0.048 4.302 4.350 -0.001 0.000 0.267 69 T C 1.887 176.618 174.700 0.050 0.000 1.046 69 T CA 1.038 63.114 62.100 -0.041 0.000 1.139 69 T CB -0.058 68.741 68.868 -0.115 0.000 0.871 69 T HN 0.165 nan 8.240 nan 0.000 0.454 70 L N 0.647 121.786 121.223 -0.139 0.000 2.046 70 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 70 L C 2.891 179.902 176.870 0.234 0.000 1.077 70 L CA 1.295 56.114 54.840 -0.036 0.000 0.747 70 L CB -0.505 41.258 42.059 -0.492 0.000 0.896 70 L HN 0.188 nan 8.230 nan 0.000 0.432 71 R N 0.689 121.302 120.500 0.187 0.000 2.083 71 R HA -0.225 4.115 4.340 -0.001 0.000 0.237 71 R C 2.074 178.375 176.300 0.002 0.000 1.137 71 R CA 1.960 58.046 56.100 -0.024 0.000 0.951 71 R CB -0.142 30.061 30.300 -0.162 0.000 0.851 71 R HN 0.402 nan 8.270 nan 0.000 0.434 72 E N -0.698 119.509 120.200 0.011 0.000 2.058 72 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 72 E C 1.765 178.353 176.600 -0.020 0.000 0.997 72 E CA 1.605 57.971 56.400 -0.057 0.000 0.801 72 E CB -0.174 29.440 29.700 -0.143 0.000 0.746 72 E HN 0.473 nan 8.360 nan 0.000 0.450 73 Y N 0.211 120.578 120.300 0.112 0.000 2.571 73 Y HA -0.079 4.470 4.550 -0.001 0.000 0.294 73 Y C 1.905 177.975 175.900 0.285 0.000 1.141 73 Y CA 1.262 59.485 58.100 0.205 0.000 1.308 73 Y CB 0.354 38.980 38.460 0.277 0.000 1.002 73 Y HN 0.086 nan 8.280 nan 0.000 0.551 74 T N -4.873 109.892 114.554 0.351 0.000 3.231 74 T HA 0.203 4.552 4.350 -0.001 0.000 0.292 74 T C 0.177 175.004 174.700 0.212 0.000 1.001 74 T CA -0.272 62.012 62.100 0.307 0.000 0.920 74 T CB -0.143 68.803 68.868 0.130 0.000 1.140 74 T HN -0.153 nan 8.240 nan 0.000 0.525 75 T N 4.961 119.585 114.554 0.116 0.000 2.770 75 T HA 0.463 4.812 4.350 -0.001 0.000 0.297 75 T C -2.819 171.564 174.700 -0.528 0.000 0.997 75 T CA -1.378 60.627 62.100 -0.158 0.000 0.949 75 T CB 1.297 70.080 68.868 -0.142 0.000 0.941 75 T HN 0.048 nan 8.240 nan 0.000 0.457 76 P HA 0.168 nan 4.420 nan 0.000 0.262 76 P C 1.128 178.049 177.300 -0.632 0.000 1.182 76 P CA 1.043 63.331 63.100 -1.352 0.000 0.761 76 P CB 0.353 31.596 31.700 -0.762 0.000 0.795 77 G N 2.017 110.535 108.800 -0.470 0.000 2.258 77 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.233 77 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.233 77 G C 0.533 175.363 174.900 -0.116 0.000 1.006 77 G CA -0.277 44.706 45.100 -0.195 0.000 0.620 77 G HN 0.683 nan 8.290 nan 0.000 0.511 78 N N 1.290 119.916 118.700 -0.124 0.000 2.479 78 N HA 0.364 5.104 4.740 -0.001 0.000 0.257 78 N C 1.799 177.295 175.510 -0.023 0.000 1.232 78 N CA 0.776 53.785 53.050 -0.068 0.000 0.920 78 N CB 1.018 39.465 38.487 -0.067 0.000 1.105 78 N HN 0.576 nan 8.380 nan 0.000 0.444 79 A N 4.442 127.228 122.820 -0.055 0.000 1.948 79 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 79 A C 1.787 179.327 177.584 -0.073 0.000 1.177 79 A CA 1.576 53.581 52.037 -0.053 0.000 0.636 79 A CB -0.184 18.774 19.000 -0.069 0.000 0.815 79 A HN 0.814 nan 8.150 nan 0.000 0.449 80 K N -1.818 118.483 120.400 -0.165 0.000 2.444 80 K HA 0.070 4.390 4.320 -0.001 0.000 0.193 80 K C -0.122 176.371 176.600 -0.178 0.000 1.024 80 K CA -0.383 55.694 56.287 -0.350 0.000 1.077 80 K CB 0.014 31.999 32.500 -0.858 0.000 0.833 80 K HN 0.522 nan 8.250 nan 0.000 0.517 81 Y N 2.795 123.016 120.300 -0.132 0.000 2.810 81 Y HA -0.125 4.424 4.550 -0.001 0.000 0.332 81 Y C -0.241 175.701 175.900 0.070 0.000 1.243 81 Y CA 0.001 58.089 58.100 -0.020 0.000 1.537 81 Y CB 0.390 38.831 38.460 -0.032 0.000 1.265 81 Y HN -0.133 nan 8.280 nan 0.000 0.572 82 R N 6.172 126.449 120.500 -0.372 0.000 2.371 82 R HA 0.098 4.438 4.340 -0.001 0.000 0.312 82 R C 0.555 176.433 176.300 -0.703 0.000 0.980 82 R CA -0.330 55.560 56.100 -0.351 0.000 0.867 82 R CB 0.815 31.166 30.300 0.086 0.000 1.163 82 R HN 0.873 nan 8.270 nan 0.000 0.492 83 D N 1.613 121.494 120.400 -0.864 0.000 2.310 83 D HA -0.097 4.543 4.640 -0.001 0.000 0.212 83 D C 1.148 177.366 176.300 -0.137 0.000 0.965 83 D CA 0.938 54.604 54.000 -0.556 0.000 0.879 83 D CB 0.099 40.776 40.800 -0.204 0.000 0.921 83 D HN 0.614 nan 8.370 nan 0.000 0.510 84 G N -0.767 107.993 108.800 -0.067 0.000 2.985 84 G HA2 0.023 3.983 3.960 -0.001 0.000 0.209 84 G HA3 0.023 3.983 3.960 -0.001 0.000 0.209 84 G C -0.183 174.823 174.900 0.177 0.000 1.165 84 G CA -0.416 44.713 45.100 0.047 0.000 0.776 84 G HN 0.214 nan 8.290 nan 0.000 0.541 85 F N 2.530 122.482 119.950 0.003 0.000 2.334 85 F HA 0.478 5.005 4.527 -0.000 0.000 0.367 85 F C 0.832 176.749 175.800 0.196 0.000 1.115 85 F CA -2.842 55.213 58.000 0.091 0.000 1.116 85 F CB 0.685 39.729 39.000 0.073 0.000 1.230 85 F HN 0.105 nan 8.300 nan 0.000 0.484 86 I N 3.935 124.716 120.570 0.351 0.000 4.288 86 I HA 0.444 4.614 4.170 -0.001 0.000 0.331 86 I C -1.047 175.287 176.117 0.362 0.000 1.322 86 I CA -0.003 61.516 61.300 0.364 0.000 1.149 86 I CB 0.776 39.038 38.000 0.436 0.000 1.112 86 I HN 0.417 nan 8.210 nan 0.000 0.403 87 L N 1.884 123.286 121.223 0.297 0.000 2.556 87 L HA 0.580 4.919 4.340 -0.001 0.000 0.257 87 L C -1.899 175.139 176.870 0.280 0.000 0.955 87 L CA -0.693 54.251 54.840 0.173 0.000 0.850 87 L CB 2.403 44.562 42.059 0.167 0.000 1.398 87 L HN 0.213 nan 8.230 nan 0.000 0.412 88 F N 2.242 122.207 119.950 0.026 0.000 2.588 88 F HA 0.857 5.384 4.527 -0.001 0.000 0.314 88 F C -1.334 174.442 175.800 -0.040 0.000 1.069 88 F CA -1.195 56.858 58.000 0.089 0.000 0.931 88 F CB 1.500 40.600 39.000 0.168 0.000 1.260 88 F HN 0.065 nan 8.300 nan 0.000 0.465 89 V N 3.586 123.588 119.914 0.147 0.000 2.398 89 V HA 0.346 4.466 4.120 -0.001 0.000 0.286 89 V C -0.136 176.059 176.094 0.169 0.000 1.026 89 V CA -0.745 61.568 62.300 0.022 0.000 0.868 89 V CB 1.563 33.386 31.823 -0.001 0.000 0.982 89 V HN 0.683 nan 8.190 nan 0.000 0.443 90 L N 4.256 125.570 121.223 0.151 0.000 2.268 90 L HA 0.381 4.721 4.340 -0.001 0.000 0.289 90 L C 0.062 176.989 176.870 0.095 0.000 1.064 90 L CA -0.359 54.589 54.840 0.181 0.000 0.824 90 L CB 0.853 43.063 42.059 0.253 0.000 1.202 90 L HN 0.585 nan 8.230 nan 0.000 0.433 91 D N 5.244 125.678 120.400 0.057 0.000 2.435 91 D HA 0.222 4.862 4.640 -0.001 0.000 0.230 91 D C -0.360 175.966 176.300 0.044 0.000 1.215 91 D CA -0.138 53.879 54.000 0.029 0.000 0.947 91 D CB 0.420 41.201 40.800 -0.031 0.000 1.048 91 D HN 0.271 nan 8.370 nan 0.000 0.512 92 L N 4.379 125.630 121.223 0.047 0.000 2.278 92 L HA 0.235 4.575 4.340 -0.001 0.000 0.287 92 L C 1.052 177.981 176.870 0.098 0.000 1.072 92 L CA -0.417 54.495 54.840 0.120 0.000 0.819 92 L CB 0.750 42.791 42.059 -0.029 0.000 1.176 92 L HN -0.036 nan 8.230 nan 0.000 0.435 93 K N 2.620 123.162 120.400 0.237 0.000 2.518 93 K HA 0.129 4.449 4.320 -0.001 0.000 0.244 93 K C 1.049 177.698 176.600 0.082 0.000 1.232 93 K CA -0.042 56.332 56.287 0.145 0.000 1.189 93 K CB 0.080 32.667 32.500 0.146 0.000 1.737 93 K HN 0.640 nan 8.250 nan 0.000 0.333 94 T N -3.710 110.779 114.554 -0.109 0.000 3.107 94 T HA 0.031 4.381 4.350 -0.001 0.000 0.249 94 T C 1.796 176.514 174.700 0.030 0.000 1.096 94 T CA 0.247 62.198 62.100 -0.249 0.000 1.012 94 T CB 0.312 69.009 68.868 -0.284 0.000 0.977 94 T HN 0.337 nan 8.240 nan 0.000 0.527 95 G N 1.495 110.319 108.800 0.039 0.000 2.499 95 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.221 95 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.221 95 G C 1.489 176.418 174.900 0.048 0.000 1.109 95 G CA 0.793 45.918 45.100 0.042 0.000 0.749 95 G HN 0.581 nan 8.290 nan 0.000 0.568 96 S N -0.249 115.468 115.700 0.028 0.000 2.540 96 S HA 0.336 4.805 4.470 -0.001 0.000 0.218 96 S C 0.750 175.346 174.600 -0.006 0.000 0.977 96 S CA -0.549 57.660 58.200 0.016 0.000 0.918 96 S CB 0.184 63.398 63.200 0.022 0.000 0.806 96 S HN 0.207 nan 8.310 nan 0.000 0.496 97 L N 3.068 124.265 121.223 -0.043 0.000 2.456 97 L HA 0.158 4.498 4.340 -0.001 0.000 0.272 97 L C 0.989 177.809 176.870 -0.084 0.000 1.189 97 L CA -0.463 54.314 54.840 -0.105 0.000 0.846 97 L CB 0.378 42.288 42.059 -0.249 0.000 1.111 97 L HN 0.250 nan 8.230 nan 0.000 0.475 98 S N 1.423 117.079 115.700 -0.074 0.000 2.584 98 S HA 0.035 4.505 4.470 -0.001 0.000 0.270 98 S C 0.850 175.385 174.600 -0.108 0.000 1.346 98 S CA -0.358 57.803 58.200 -0.065 0.000 1.018 98 S CB 0.529 63.701 63.200 -0.048 0.000 0.899 98 S HN 0.700 nan 8.310 nan 0.000 0.542 99 N N 1.113 119.760 118.700 -0.088 0.000 2.137 99 N HA -0.162 4.578 4.740 -0.001 0.000 0.190 99 N C 0.592 176.023 175.510 -0.132 0.000 1.017 99 N CA 1.626 54.606 53.050 -0.117 0.000 0.859 99 N CB -0.261 38.182 38.487 -0.074 0.000 1.002 99 N HN 0.650 nan 8.380 nan 0.000 0.428 100 D N 0.435 120.779 120.400 -0.093 0.000 2.312 100 D HA -0.074 4.566 4.640 -0.001 0.000 0.211 100 D C 1.301 177.548 176.300 -0.088 0.000 0.964 100 D CA 0.818 54.770 54.000 -0.080 0.000 0.877 100 D CB -0.020 40.749 40.800 -0.052 0.000 0.924 100 D HN 0.376 nan 8.370 nan 0.000 0.515 101 Q N -0.350 119.385 119.800 -0.108 0.000 2.392 101 Q HA 0.071 4.410 4.340 -0.001 0.000 0.203 101 Q C 1.846 177.758 176.000 -0.147 0.000 0.917 101 Q CA -0.046 55.696 55.803 -0.102 0.000 0.939 101 Q CB 0.831 29.516 28.738 -0.088 0.000 1.063 101 Q HN 0.123 nan 8.270 nan 0.000 0.516 102 V N 0.659 120.446 119.914 -0.211 0.000 2.283 102 V HA -0.245 3.875 4.120 -0.001 0.000 0.243 102 V C 2.290 178.300 176.094 -0.141 0.000 1.039 102 V CA 1.839 63.981 62.300 -0.264 0.000 1.016 102 V CB -0.427 31.137 31.823 -0.432 0.000 0.650 102 V HN 0.312 nan 8.190 nan 0.000 0.449 103 R N 0.368 120.786 120.500 -0.138 0.000 2.070 103 R HA -0.147 4.192 4.340 -0.001 0.000 0.233 103 R C -0.060 176.173 176.300 -0.112 0.000 1.137 103 R CA 2.039 58.074 56.100 -0.109 0.000 0.945 103 R CB -1.348 28.904 30.300 -0.081 0.000 0.845 103 R HN 0.417 nan 8.270 nan 0.000 0.430 104 P HA -0.093 nan 4.420 nan 0.000 0.216 104 P C 0.781 178.055 177.300 -0.044 0.000 1.150 104 P CA 1.858 64.928 63.100 -0.051 0.000 0.837 104 P CB -0.093 31.591 31.700 -0.026 0.000 0.786 105 A N -0.049 122.742 122.820 -0.049 0.000 1.908 105 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 105 A C 2.506 179.960 177.584 -0.217 0.000 1.181 105 A CA 2.164 54.228 52.037 0.045 0.000 0.627 105 A CB -1.914 17.074 19.000 -0.020 0.000 0.818 105 A HN 0.278 nan 8.150 nan 0.000 0.445 106 G N -0.461 107.889 108.800 -0.750 0.000 2.421 106 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.216 106 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.216 106 G C 1.410 176.083 174.900 -0.378 0.000 1.171 106 G CA 1.020 45.299 45.100 -1.368 0.000 0.775 106 G HN 0.662 nan 8.290 nan 0.000 0.543 107 E N 0.629 120.713 120.200 -0.193 0.000 2.085 107 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 107 E C 2.490 179.074 176.600 -0.026 0.000 0.994 107 E CA 1.084 57.434 56.400 -0.082 0.000 0.801 107 E CB -0.098 29.572 29.700 -0.050 0.000 0.743 107 E HN 0.279 nan 8.360 nan 0.000 0.453 108 N N 0.346 119.058 118.700 0.021 0.000 2.142 108 N HA -0.113 4.627 4.740 -0.001 0.000 0.186 108 N C 1.921 177.545 175.510 0.189 0.000 1.023 108 N CA 0.779 53.891 53.050 0.104 0.000 0.852 108 N CB -0.313 38.261 38.487 0.144 0.000 0.998 108 N HN 0.004 nan 8.380 nan 0.000 0.424 109 V N 1.512 121.578 119.914 0.253 0.000 2.358 109 V HA -0.159 3.960 4.120 -0.001 0.000 0.246 109 V C 2.399 178.734 176.094 0.402 0.000 1.047 109 V CA 1.662 64.239 62.300 0.460 0.000 1.035 109 V CB -0.966 31.245 31.823 0.648 0.000 0.658 109 V HN 0.276 nan 8.190 nan 0.000 0.452 110 A N -0.001 122.916 122.820 0.162 0.000 1.883 110 A HA -0.279 4.040 4.320 -0.001 0.000 0.217 110 A C 2.290 179.860 177.584 -0.023 0.000 1.186 110 A CA 2.210 54.070 52.037 -0.295 0.000 0.624 110 A CB -0.464 18.098 19.000 -0.729 0.000 0.822 110 A HN 0.558 nan 8.150 nan 0.000 0.444 111 K N -0.610 119.805 120.400 0.026 0.000 2.057 111 K HA -0.124 4.196 4.320 -0.001 0.000 0.207 111 K C 2.040 178.692 176.600 0.086 0.000 1.049 111 K CA 1.287 57.608 56.287 0.057 0.000 0.931 111 K CB -0.163 32.367 32.500 0.049 0.000 0.714 111 K HN 0.444 nan 8.250 nan 0.000 0.440 112 E N 1.102 121.379 120.200 0.129 0.000 2.058 112 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 112 E C 2.167 178.776 176.600 0.016 0.000 0.997 112 E CA 1.109 57.561 56.400 0.086 0.000 0.801 112 E CB -0.196 29.628 29.700 0.207 0.000 0.746 112 E HN 0.288 nan 8.360 nan 0.000 0.450 113 L N 0.326 121.587 121.223 0.064 0.000 2.046 113 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 113 L C 2.637 179.543 176.870 0.060 0.000 1.077 113 L CA 0.509 55.307 54.840 -0.071 0.000 0.747 113 L CB -0.338 41.590 42.059 -0.219 0.000 0.896 113 L HN 0.134 nan 8.230 nan 0.000 0.432 114 L N -0.386 120.982 121.223 0.242 0.000 2.017 114 L HA -0.254 4.086 4.340 -0.001 0.000 0.208 114 L C 2.572 179.522 176.870 0.135 0.000 1.073 114 L CA 1.868 56.891 54.840 0.304 0.000 0.745 114 L CB -0.429 41.740 42.059 0.184 0.000 0.894 114 L HN 0.264 nan 8.230 nan 0.000 0.432 115 Q N -1.344 118.498 119.800 0.070 0.000 2.096 115 Q HA -0.065 4.275 4.340 -0.001 0.000 0.197 115 Q C 1.441 177.442 176.000 0.001 0.000 0.964 115 Q CA 1.411 57.230 55.803 0.026 0.000 0.838 115 Q CB -0.016 28.733 28.738 0.017 0.000 0.906 115 Q HN 0.496 nan 8.270 nan 0.000 0.444 116 N N -1.322 117.370 118.700 -0.013 0.000 2.294 116 N HA -0.002 4.738 4.740 -0.001 0.000 0.186 116 N C 0.637 176.124 175.510 -0.038 0.000 1.107 116 N CA 0.410 53.433 53.050 -0.045 0.000 0.884 116 N CB 0.489 38.925 38.487 -0.084 0.000 1.030 116 N HN 0.203 nan 8.380 nan 0.000 0.482 117 Y N -0.648 119.545 120.300 -0.178 0.000 2.447 117 Y HA 0.169 4.719 4.550 -0.001 0.000 0.286 117 Y C 1.219 177.041 175.900 -0.130 0.000 1.153 117 Y CA 0.652 58.605 58.100 -0.244 0.000 1.241 117 Y CB -0.152 38.041 38.460 -0.445 0.000 1.284 117 Y HN -0.109 nan 8.280 nan 0.000 0.520 118 W N 1.430 122.657 121.300 -0.122 0.000 3.139 118 W HA 0.125 4.784 4.660 -0.001 0.000 0.260 118 W C 0.619 177.019 176.519 -0.197 0.000 1.312 118 W CA 0.836 58.061 57.345 -0.201 0.000 1.606 118 W CB -1.273 28.164 29.460 -0.040 0.000 1.118 118 W HN 0.312 nan 8.180 nan 0.000 0.675 119 N N 1.832 120.555 118.700 0.039 0.000 2.699 119 N HA -0.327 4.413 4.740 -0.001 0.000 0.256 119 N C -0.157 175.325 175.510 -0.046 0.000 0.993 119 N CA 1.525 54.567 53.050 -0.015 0.000 0.759 119 N CB -1.834 36.623 38.487 -0.050 0.000 0.906 119 N HN 0.413 nan 8.380 nan 0.000 0.541 120 N N -1.344 117.300 118.700 -0.093 0.000 2.693 120 N HA -0.220 4.520 4.740 -0.001 0.000 0.249 120 N C 0.932 176.164 175.510 -0.463 0.000 1.119 120 N CA 1.466 54.283 53.050 -0.387 0.000 0.717 120 N CB -1.311 37.075 38.487 -0.168 0.000 1.071 120 N HN 0.979 nan 8.380 nan 0.000 0.555 121 G N -1.176 107.485 108.800 -0.233 0.000 2.176 121 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.253 121 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.253 121 G C -0.176 174.695 174.900 -0.048 0.000 0.979 121 G CA 0.276 45.299 45.100 -0.128 0.000 0.641 121 G HN 0.599 nan 8.290 nan 0.000 0.530 122 N N 1.624 120.296 118.700 -0.046 0.000 2.968 122 N HA 0.362 5.101 4.740 -0.001 0.000 0.271 122 N C 0.547 176.029 175.510 -0.046 0.000 1.174 122 N CA -0.051 52.979 53.050 -0.032 0.000 1.096 122 N CB 0.102 38.574 38.487 -0.025 0.000 1.403 122 N HN 0.336 nan 8.380 nan 0.000 0.522 123 N N 0.988 119.659 118.700 -0.048 0.000 2.669 123 N HA -0.155 4.584 4.740 -0.001 0.000 0.266 123 N C 0.087 175.543 175.510 -0.091 0.000 1.024 123 N CA 0.520 53.528 53.050 -0.069 0.000 0.766 123 N CB -0.429 38.013 38.487 -0.075 0.000 0.898 123 N HN 0.655 nan 8.380 nan 0.000 0.548 124 G N -0.158 108.595 108.800 -0.079 0.000 2.525 124 G HA2 0.571 4.530 3.960 -0.001 0.000 0.287 124 G HA3 0.571 4.530 3.960 -0.001 0.000 0.287 124 G C 0.571 175.331 174.900 -0.232 0.000 1.350 124 G CA 0.082 45.090 45.100 -0.152 0.000 1.039 124 G HN 0.370 nan 8.290 nan 0.000 0.513 125 G N -1.534 106.923 108.800 -0.571 0.000 2.491 125 G HA2 0.371 4.331 3.960 -0.001 0.000 0.238 125 G HA3 0.371 4.331 3.960 -0.001 0.000 0.238 125 G C 0.924 175.759 174.900 -0.108 0.000 1.277 125 G CA -0.113 44.691 45.100 -0.493 0.000 0.851 125 G HN 0.774 nan 8.290 nan 0.000 0.573 126 R N 0.827 121.356 120.500 0.048 0.000 2.312 126 R HA 0.461 4.801 4.340 -0.001 0.000 0.205 126 R C 1.023 177.436 176.300 0.188 0.000 0.904 126 R CA 0.342 56.487 56.100 0.075 0.000 1.052 126 R CB 0.183 30.395 30.300 -0.146 0.000 1.014 126 R HN 0.456 nan 8.270 nan 0.000 0.503 127 A N 1.335 124.326 122.820 0.286 0.000 2.445 127 A HA 0.220 4.539 4.320 -0.001 0.000 0.242 127 A C -0.890 176.759 177.584 0.108 0.000 1.075 127 A CA -0.356 51.805 52.037 0.207 0.000 0.777 127 A CB -0.043 18.982 19.000 0.042 0.000 1.013 127 A HN 0.305 nan 8.150 nan 0.000 0.493 128 Y N 0.238 120.563 120.300 0.042 0.000 2.326 128 Y HA 0.396 4.946 4.550 -0.001 0.000 0.333 128 Y C 0.473 176.119 175.900 -0.422 0.000 1.240 128 Y CA 0.233 58.283 58.100 -0.083 0.000 1.365 128 Y CB 1.035 39.298 38.460 -0.329 0.000 1.289 128 Y HN 0.365 nan 8.280 nan 0.000 0.548 129 V N 3.089 122.903 119.914 -0.166 0.000 2.531 129 V HA 0.389 4.509 4.120 -0.001 0.000 0.301 129 V C -0.808 175.101 176.094 -0.309 0.000 1.034 129 V CA -1.001 60.929 62.300 -0.618 0.000 0.865 129 V CB 1.604 33.079 31.823 -0.580 0.000 0.995 129 V HN 0.448 nan 8.190 nan 0.000 0.424 130 V N 5.904 125.570 119.914 -0.413 0.000 2.370 130 V HA 0.423 4.543 4.120 -0.001 0.000 0.283 130 V C -0.073 175.895 176.094 -0.211 0.000 1.023 130 V CA -0.488 61.585 62.300 -0.379 0.000 0.857 130 V CB 1.625 33.123 31.823 -0.542 0.000 0.985 130 V HN 0.662 nan 8.190 nan 0.000 0.443 131 L N 4.265 125.370 121.223 -0.197 0.000 2.283 131 L HA 0.400 4.739 4.340 -0.001 0.000 0.287 131 L C 0.512 177.434 176.870 0.087 0.000 1.073 131 L CA 0.302 55.116 54.840 -0.043 0.000 0.822 131 L CB 1.166 43.203 42.059 -0.037 0.000 1.186 131 L HN 0.631 nan 8.230 nan 0.000 0.436 132 S N 5.193 120.945 115.700 0.087 0.000 2.438 132 S HA 0.645 5.114 4.470 -0.001 0.000 0.316 132 S C -0.502 174.144 174.600 0.077 0.000 1.084 132 S CA -0.551 57.755 58.200 0.177 0.000 1.107 132 S CB 0.337 63.663 63.200 0.209 0.000 0.981 132 S HN 0.431 nan 8.310 nan 0.000 0.466 133 L N 7.039 128.325 121.223 0.105 0.000 2.334 133 L HA 0.562 4.902 4.340 -0.001 0.000 0.276 133 L C -1.614 175.238 176.870 -0.030 0.000 1.014 133 L CA -2.046 52.744 54.840 -0.084 0.000 0.815 133 L CB 2.373 44.266 42.059 -0.277 0.000 1.268 133 L HN 0.483 nan 8.230 nan 0.000 0.428 134 P HA 0.089 nan 4.420 nan 0.000 0.261 134 P C -0.740 176.441 177.300 -0.199 0.000 1.352 134 P CA 0.339 63.405 63.100 -0.056 0.000 0.891 134 P CB 0.546 32.236 31.700 -0.017 0.000 1.383 135 D N 0.569 120.752 120.400 -0.362 0.000 2.764 135 D HA 0.093 4.733 4.640 -0.001 0.000 0.227 135 D C 1.272 177.332 176.300 -0.401 0.000 1.347 135 D CA -0.481 53.233 54.000 -0.476 0.000 0.953 135 D CB 1.416 41.620 40.800 -0.992 0.000 1.476 135 D HN -0.094 nan 8.370 nan 0.000 0.585 136 I N 0.724 121.153 120.570 -0.234 0.000 2.700 136 I HA 0.094 4.264 4.170 -0.001 0.000 0.261 136 I C 1.622 177.672 176.117 -0.113 0.000 1.219 136 I CA 0.994 62.194 61.300 -0.166 0.000 1.463 136 I CB -0.051 37.916 38.000 -0.055 0.000 1.092 136 I HN 0.331 nan 8.210 nan 0.000 0.452 137 G N -0.165 108.569 108.800 -0.109 0.000 2.848 137 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.208 137 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.208 137 G C 1.038 175.928 174.900 -0.016 0.000 1.152 137 G CA 0.049 45.163 45.100 0.024 0.000 0.789 137 G HN 0.640 nan 8.290 nan 0.000 0.531 138 H N -0.394 118.483 119.070 -0.321 0.000 2.610 138 H HA 0.082 4.639 4.556 0.000 0.000 0.302 138 H C 1.562 176.617 175.328 -0.456 0.000 1.063 138 H CA -0.411 55.401 56.048 -0.393 0.000 1.159 138 H CB 0.149 29.699 29.762 -0.354 0.000 1.427 138 H HN 0.644 nan 8.280 nan 0.000 0.553 139 Y N -0.019 120.138 120.300 -0.239 0.000 2.403 139 Y HA -0.111 4.438 4.550 -0.002 0.000 0.291 139 Y C 1.739 177.656 175.900 0.028 0.000 1.143 139 Y CA 0.352 58.339 58.100 -0.188 0.000 1.257 139 Y CB -0.172 38.267 38.460 -0.034 0.000 0.984 139 Y HN 0.053 nan 8.280 nan 0.000 0.550 140 E N 0.571 120.459 120.200 -0.520 0.000 2.204 140 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 140 E C 1.856 178.461 176.600 0.007 0.000 0.990 140 E CA 1.039 57.318 56.400 -0.201 0.000 0.821 140 E CB -0.625 28.888 29.700 -0.312 0.000 0.750 140 E HN 0.683 nan 8.360 nan 0.000 0.477 141 F N 1.280 121.150 119.950 -0.133 0.000 2.091 141 F HA -0.276 4.252 4.527 0.002 0.000 0.299 141 F C 2.200 178.095 175.800 0.157 0.000 1.103 141 F CA 1.312 59.303 58.000 -0.016 0.000 1.228 141 F CB -0.050 38.912 39.000 -0.064 0.000 0.984 141 F HN -0.186 nan 8.300 nan 0.000 0.477 142 V N 0.956 121.167 119.914 0.494 0.000 2.453 142 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 142 V C 2.421 178.727 176.094 0.354 0.000 1.048 142 V CA 1.967 64.568 62.300 0.501 0.000 1.049 142 V CB -0.659 31.471 31.823 0.512 0.000 0.672 142 V HN 0.286 nan 8.190 nan 0.000 0.457 143 R N 0.299 120.954 120.500 0.259 0.000 2.083 143 R HA -0.135 4.205 4.340 -0.001 0.000 0.237 143 R C 2.474 178.862 176.300 0.146 0.000 1.137 143 R CA 1.652 57.865 56.100 0.188 0.000 0.951 143 R CB -0.929 29.473 30.300 0.170 0.000 0.851 143 R HN 0.580 nan 8.270 nan 0.000 0.434 144 G N 0.547 109.406 108.800 0.097 0.000 2.402 144 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 144 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 144 G C 1.279 176.217 174.900 0.064 0.000 1.162 144 G CA 0.278 45.399 45.100 0.034 0.000 0.777 144 G HN 0.251 nan 8.290 nan 0.000 0.539 145 F N 1.441 121.367 119.950 -0.040 0.000 2.069 145 F HA -0.028 4.499 4.527 0.000 0.000 0.298 145 F C 2.749 178.627 175.800 0.130 0.000 1.113 145 F CA 2.010 60.035 58.000 0.042 0.000 1.214 145 F CB -0.002 39.081 39.000 0.138 0.000 0.978 145 F HN 0.028 nan 8.300 nan 0.000 0.474 146 K N 0.013 120.659 120.400 0.410 0.000 2.097 146 K HA -0.219 4.101 4.320 -0.001 0.000 0.205 146 K C 2.196 178.863 176.600 0.111 0.000 1.050 146 K CA 1.442 57.898 56.287 0.281 0.000 0.938 146 K CB -0.418 32.241 32.500 0.265 0.000 0.718 146 K HN 0.404 nan 8.250 nan 0.000 0.442 147 E N 1.225 121.477 120.200 0.087 0.000 2.070 147 E HA -0.210 4.139 4.350 -0.001 0.000 0.197 147 E C 1.943 178.548 176.600 0.008 0.000 1.004 147 E CA 1.565 57.989 56.400 0.041 0.000 0.805 147 E CB -0.018 29.703 29.700 0.034 0.000 0.744 147 E HN 0.040 nan 8.360 nan 0.000 0.451 148 V N 1.106 121.006 119.914 -0.023 0.000 2.255 148 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 148 V C 2.652 178.730 176.094 -0.028 0.000 1.051 148 V CA 1.660 63.935 62.300 -0.043 0.000 1.018 148 V CB -0.536 31.229 31.823 -0.096 0.000 0.641 148 V HN 0.236 nan 8.190 nan 0.000 0.445 149 L N -0.368 120.821 121.223 -0.057 0.000 2.046 149 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 149 L C 2.392 179.271 176.870 0.016 0.000 1.077 149 L CA 1.919 56.756 54.840 -0.005 0.000 0.747 149 L CB -0.831 41.215 42.059 -0.021 0.000 0.896 149 L HN 0.282 nan 8.230 nan 0.000 0.432 150 K N -0.558 119.849 120.400 0.011 0.000 2.002 150 K HA -0.220 4.100 4.320 -0.001 0.000 0.209 150 K C 2.145 178.733 176.600 -0.020 0.000 1.048 150 K CA 1.387 57.673 56.287 -0.000 0.000 0.930 150 K CB -0.272 32.238 32.500 0.016 0.000 0.714 150 K HN 0.175 nan 8.250 nan 0.000 0.438 151 K N 1.308 121.701 120.400 -0.010 0.000 2.074 151 K HA -0.196 4.123 4.320 -0.001 0.000 0.209 151 K C 1.402 177.985 176.600 -0.029 0.000 1.048 151 K CA 1.516 57.794 56.287 -0.015 0.000 0.926 151 K CB 0.110 32.607 32.500 -0.005 0.000 0.713 151 K HN 0.055 nan 8.250 nan 0.000 0.444 152 E N -0.552 119.639 120.200 -0.014 0.000 2.502 152 E HA 0.000 4.350 4.350 -0.001 0.000 0.194 152 E C 0.794 177.263 176.600 -0.218 0.000 1.062 152 E CA 0.781 57.175 56.400 -0.009 0.000 0.867 152 E CB 0.332 30.119 29.700 0.146 0.000 0.888 152 E HN 0.626 nan 8.360 nan 0.000 0.510 153 G N 2.002 110.662 108.800 -0.234 0.000 2.160 153 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 153 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 153 G C 0.176 174.735 174.900 -0.568 0.000 1.022 153 G CA 0.101 44.987 45.100 -0.356 0.000 0.741 153 G HN 0.382 nan 8.290 nan 0.000 0.508 154 H N -0.658 118.386 119.070 -0.043 0.000 2.562 154 H HA 0.225 4.781 4.556 0.000 0.000 0.249 154 H C 1.459 176.732 175.328 -0.092 0.000 1.195 154 H CA 0.243 56.245 56.048 -0.078 0.000 0.938 154 H CB 0.363 30.069 29.762 -0.093 0.000 1.891 154 H HN 0.693 nan 8.280 nan 0.000 0.595 155 E N 1.656 121.854 120.200 -0.003 0.000 2.160 155 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 155 E C 1.462 178.066 176.600 0.007 0.000 0.991 155 E CA 1.732 58.138 56.400 0.009 0.000 0.810 155 E CB 0.319 30.023 29.700 0.007 0.000 0.742 155 E HN 0.448 nan 8.360 nan 0.000 0.466 156 D N 0.896 121.292 120.400 -0.006 0.000 2.218 156 D HA -0.224 4.416 4.640 -0.001 0.000 0.204 156 D C 1.984 178.247 176.300 -0.061 0.000 0.976 156 D CA 0.833 54.829 54.000 -0.007 0.000 0.853 156 D CB -0.568 40.231 40.800 -0.002 0.000 0.939 156 D HN 0.387 nan 8.370 nan 0.000 0.481 157 L N -0.162 120.953 121.223 -0.180 0.000 2.362 157 L HA -0.024 4.316 4.340 -0.001 0.000 0.219 157 L C 2.471 179.183 176.870 -0.264 0.000 1.134 157 L CA 0.259 54.816 54.840 -0.470 0.000 0.807 157 L CB -0.327 41.124 42.059 -1.014 0.000 0.927 157 L HN 0.015 nan 8.230 nan 0.000 0.447 158 L N -0.467 120.742 121.223 -0.023 0.000 2.353 158 L HA -0.180 4.159 4.340 -0.001 0.000 0.220 158 L C 2.227 179.259 176.870 0.269 0.000 1.133 158 L CA 0.840 55.777 54.840 0.162 0.000 0.798 158 L CB -0.475 41.690 42.059 0.176 0.000 0.922 158 L HN 0.317 nan 8.230 nan 0.000 0.445 159 E N 0.144 120.489 120.200 0.242 0.000 2.209 159 E HA -0.185 4.165 4.350 -0.001 0.000 0.196 159 E C 1.393 178.315 176.600 0.537 0.000 0.993 159 E CA 0.754 57.392 56.400 0.397 0.000 0.819 159 E CB 0.120 29.966 29.700 0.244 0.000 0.745 159 E HN 0.291 nan 8.360 nan 0.000 0.477 160 K N 0.249 120.869 120.400 0.366 0.000 2.374 160 K HA 0.162 4.482 4.320 -0.001 0.000 0.196 160 K C -0.198 176.798 176.600 0.661 0.000 1.023 160 K CA 0.096 56.631 56.287 0.414 0.000 1.103 160 K CB 0.975 33.608 32.500 0.220 0.000 0.848 160 K HN -0.070 nan 8.250 nan 0.000 0.528 161 V N 0.270 120.475 119.914 0.485 0.000 2.495 161 V HA 0.667 4.787 4.120 -0.001 0.000 0.298 161 V C 0.457 176.135 176.094 -0.693 0.000 1.031 161 V CA -0.953 61.397 62.300 0.084 0.000 0.871 161 V CB 1.801 33.698 31.823 0.123 0.000 0.988 161 V HN 0.269 nan 8.190 nan 0.000 0.432 162 G N 2.558 110.663 108.800 -1.158 0.000 2.816 162 G HA2 0.783 4.743 3.960 -0.001 0.000 0.288 162 G HA3 0.783 4.743 3.960 -0.001 0.000 0.288 162 G C -2.111 171.972 174.900 -1.362 0.000 1.334 162 G CA -0.576 43.484 45.100 -1.733 0.000 0.978 162 G HN 0.464 nan 8.290 nan 0.000 0.493 163 Y N -0.726 119.376 120.300 -0.331 0.000 2.470 163 Y HA 0.528 5.078 4.550 -0.001 0.000 0.341 163 Y C -1.111 174.830 175.900 0.067 0.000 1.021 163 Y CA -1.126 56.912 58.100 -0.103 0.000 1.025 163 Y CB 2.967 41.300 38.460 -0.213 0.000 1.266 163 Y HN 0.461 nan 8.280 nan 0.000 0.448 164 D N 2.422 123.076 120.400 0.423 0.000 2.476 164 D HA 0.323 4.963 4.640 -0.001 0.000 0.251 164 D C -1.841 174.845 176.300 0.643 0.000 1.291 164 D CA -0.413 53.903 54.000 0.527 0.000 0.939 164 D CB 0.597 41.726 40.800 0.549 0.000 1.221 164 D HN 0.173 nan 8.370 nan 0.000 0.567 165 F N 2.067 122.225 119.950 0.346 0.000 2.415 165 F HA 0.527 5.053 4.527 -0.001 0.000 0.348 165 F C 0.977 176.805 175.800 0.047 0.000 1.119 165 F CA -1.136 56.902 58.000 0.063 0.000 1.069 165 F CB 1.341 40.203 39.000 -0.229 0.000 1.124 165 F HN 0.227 nan 8.300 nan 0.000 0.472 166 S N 0.727 116.546 115.700 0.198 0.000 2.651 166 S HA 0.919 5.389 4.470 -0.001 0.000 0.279 166 S C -0.137 174.419 174.600 -0.073 0.000 1.148 166 S CA -0.342 57.896 58.200 0.063 0.000 0.837 166 S CB 1.611 64.862 63.200 0.084 0.000 1.138 166 S HN 1.507 nan 8.310 nan 0.000 0.478 167 G N 1.032 109.701 108.800 -0.219 0.000 2.752 167 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.234 167 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.234 167 G C -3.078 171.691 174.900 -0.219 0.000 1.367 167 G CA -0.263 44.638 45.100 -0.331 0.000 0.879 167 G HN 0.810 nan 8.290 nan 0.000 0.563 168 P HA 0.341 nan 4.420 nan 0.000 0.279 168 P C 0.152 177.302 177.300 -0.250 0.000 1.282 168 P CA -0.155 62.842 63.100 -0.171 0.000 0.788 168 P CB 0.328 31.960 31.700 -0.112 0.000 1.139 169 Y N -1.370 118.852 120.300 -0.129 0.000 2.519 169 Y HA 0.131 4.680 4.550 -0.001 0.000 0.287 169 Y C 1.143 176.932 175.900 -0.185 0.000 1.128 169 Y CA 0.733 58.720 58.100 -0.187 0.000 1.282 169 Y CB -0.110 38.203 38.460 -0.245 0.000 1.027 169 Y HN -0.020 nan 8.280 nan 0.000 0.551 170 L N 1.784 122.998 121.223 -0.016 0.000 2.325 170 L HA 0.281 4.621 4.340 -0.001 0.000 0.278 170 L C -1.258 175.583 176.870 -0.047 0.000 1.023 170 L CA -1.818 52.999 54.840 -0.039 0.000 0.811 170 L CB 1.493 43.535 42.059 -0.028 0.000 1.249 170 L HN -0.123 nan 8.230 nan 0.000 0.431 171 P HA 0.013 nan 4.420 nan 0.000 0.225 171 P C -0.017 177.262 177.300 -0.035 0.000 1.156 171 P CA 0.527 63.608 63.100 -0.031 0.000 0.787 171 P CB 0.587 32.276 31.700 -0.017 0.000 0.802 172 S N -1.018 114.658 115.700 -0.039 0.000 2.618 172 S HA 0.439 4.909 4.470 -0.001 0.000 0.277 172 S C -0.456 174.101 174.600 -0.072 0.000 1.138 172 S CA -0.807 57.377 58.200 -0.026 0.000 0.844 172 S CB 1.299 64.511 63.200 0.021 0.000 1.127 172 S HN -0.093 nan 8.310 nan 0.000 0.474 173 L N 3.081 124.265 121.223 -0.066 0.000 2.456 173 L HA 0.278 4.618 4.340 -0.001 0.000 0.272 173 L C -1.801 175.026 176.870 -0.072 0.000 1.189 173 L CA -1.346 53.410 54.840 -0.140 0.000 0.846 173 L CB 0.138 42.136 42.059 -0.102 0.000 1.111 173 L HN 0.429 nan 8.230 nan 0.000 0.475 174 P HA 0.085 nan 4.420 nan 0.000 0.272 174 P C -0.398 176.899 177.300 -0.005 0.000 1.223 174 P CA -0.472 62.602 63.100 -0.043 0.000 0.784 174 P CB 0.510 32.179 31.700 -0.051 0.000 0.923 175 T N -0.960 113.603 114.554 0.014 0.000 2.766 175 T HA 0.127 4.476 4.350 -0.001 0.000 0.295 175 T C 1.617 176.364 174.700 0.079 0.000 1.024 175 T CA -0.559 61.566 62.100 0.043 0.000 1.018 175 T CB 0.109 69.001 68.868 0.039 0.000 1.002 175 T HN 0.245 nan 8.240 nan 0.000 0.532 176 L N 0.052 121.352 121.223 0.127 0.000 2.083 176 L HA -0.097 4.243 4.340 -0.001 0.000 0.209 176 L C 2.768 179.765 176.870 0.211 0.000 1.083 176 L CA 1.538 56.523 54.840 0.243 0.000 0.752 176 L CB -0.534 41.694 42.059 0.282 0.000 0.899 176 L HN 0.792 nan 8.230 nan 0.000 0.433 177 D N -0.066 120.412 120.400 0.129 0.000 2.123 177 D HA -0.172 4.468 4.640 -0.001 0.000 0.196 177 D C 2.122 178.418 176.300 -0.008 0.000 0.992 177 D CA 1.499 55.536 54.000 0.061 0.000 0.833 177 D CB 0.265 41.089 40.800 0.041 0.000 0.954 177 D HN 0.329 nan 8.370 nan 0.000 0.455 178 A N -0.008 122.811 122.820 -0.001 0.000 1.930 178 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 178 A C 2.361 179.915 177.584 -0.050 0.000 1.175 178 A CA 1.950 53.968 52.037 -0.032 0.000 0.627 178 A CB -0.719 18.268 19.000 -0.021 0.000 0.815 178 A HN 0.217 nan 8.150 nan 0.000 0.443 179 T N -1.431 113.112 114.554 -0.017 0.000 2.737 179 T HA -0.157 4.192 4.350 -0.001 0.000 0.265 179 T C 1.816 176.413 174.700 -0.171 0.000 1.038 179 T CA 1.553 63.623 62.100 -0.050 0.000 1.144 179 T CB -0.516 68.424 68.868 0.120 0.000 0.866 179 T HN 0.756 nan 8.240 nan 0.000 0.434 180 H N 0.770 119.603 119.070 -0.394 0.000 2.319 180 H HA -0.107 4.449 4.556 -0.001 0.000 0.299 180 H C 2.362 177.491 175.328 -0.332 0.000 1.092 180 H CA 1.094 56.721 56.048 -0.702 0.000 1.302 180 H CB 0.211 29.360 29.762 -1.022 0.000 1.373 180 H HN 0.149 nan 8.280 nan 0.000 0.497 181 E N 0.419 120.521 120.200 -0.163 0.000 2.118 181 E HA -0.156 4.194 4.350 -0.001 0.000 0.195 181 E C 2.356 178.858 176.600 -0.163 0.000 0.992 181 E CA 0.886 57.171 56.400 -0.193 0.000 0.804 181 E CB -0.414 29.188 29.700 -0.164 0.000 0.741 181 E HN 0.598 nan 8.360 nan 0.000 0.458 182 A N 0.449 123.188 122.820 -0.134 0.000 1.902 182 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 182 A C 2.016 179.629 177.584 0.049 0.000 1.181 182 A CA 1.317 53.316 52.037 -0.062 0.000 0.623 182 A CB -0.841 18.187 19.000 0.047 0.000 0.818 182 A HN 0.219 nan 8.150 nan 0.000 0.443 183 Y N 0.512 120.853 120.300 0.067 0.000 2.165 183 Y HA -0.204 4.345 4.550 -0.001 0.000 0.286 183 Y C 2.373 178.223 175.900 -0.083 0.000 1.155 183 Y CA 1.620 59.662 58.100 -0.098 0.000 1.164 183 Y CB -0.496 37.845 38.460 -0.199 0.000 0.978 183 Y HN 0.290 nan 8.280 nan 0.000 0.513 184 K N 0.344 120.767 120.400 0.039 0.000 2.032 184 K HA -0.209 4.110 4.320 -0.001 0.000 0.209 184 K C 1.979 178.518 176.600 -0.101 0.000 1.048 184 K CA 1.800 58.051 56.287 -0.059 0.000 0.927 184 K CB -0.261 32.151 32.500 -0.146 0.000 0.712 184 K HN 0.305 nan 8.250 nan 0.000 0.441 185 K N 0.388 120.665 120.400 -0.204 0.000 2.147 185 K HA -0.091 4.229 4.320 -0.001 0.000 0.205 185 K C 2.008 178.506 176.600 -0.171 0.000 1.049 185 K CA 1.220 57.262 56.287 -0.407 0.000 0.936 185 K CB -0.069 31.792 32.500 -1.066 0.000 0.722 185 K HN 0.136 nan 8.250 nan 0.000 0.446 186 A N 0.504 123.366 122.820 0.069 0.000 2.208 186 A HA 0.154 4.473 4.320 -0.001 0.000 0.209 186 A C 1.327 178.966 177.584 0.092 0.000 1.161 186 A CA 0.787 52.973 52.037 0.248 0.000 0.782 186 A CB -0.338 18.934 19.000 0.454 0.000 0.816 186 A HN 0.402 nan 8.150 nan 0.000 0.477 187 G N -1.181 107.630 108.800 0.018 0.000 2.198 187 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.257 187 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.257 187 G C -0.027 174.819 174.900 -0.090 0.000 1.042 187 G CA 0.220 45.306 45.100 -0.022 0.000 0.791 187 G HN 0.800 nan 8.290 nan 0.000 0.502 188 V N 1.585 121.422 119.914 -0.128 0.000 2.350 188 V HA 0.509 4.628 4.120 -0.001 0.000 0.276 188 V C 0.411 176.404 176.094 -0.169 0.000 1.028 188 V CA 0.180 62.307 62.300 -0.288 0.000 0.860 188 V CB 1.687 33.202 31.823 -0.513 0.000 0.990 188 V HN 0.500 nan 8.190 nan 0.000 0.453 189 D N 2.976 123.277 120.400 -0.165 0.000 2.599 189 D HA 0.412 5.052 4.640 -0.001 0.000 0.249 189 D C 0.220 176.479 176.300 -0.068 0.000 1.313 189 D CA 0.140 54.097 54.000 -0.072 0.000 0.815 189 D CB 1.260 42.039 40.800 -0.034 0.000 1.077 189 D HN 0.653 nan 8.370 nan 0.000 0.492 190 G N -0.691 108.027 108.800 -0.137 0.000 2.356 190 G HA2 0.323 4.283 3.960 -0.001 0.000 0.294 190 G HA3 0.323 4.283 3.960 -0.001 0.000 0.294 190 G C -0.755 174.123 174.900 -0.036 0.000 1.423 190 G CA -0.735 44.350 45.100 -0.026 0.000 0.806 190 G HN 0.238 nan 8.290 nan 0.000 0.527 191 H N -1.594 117.373 119.070 -0.172 0.000 2.880 191 H HA -0.158 4.398 4.556 0.000 0.000 0.304 191 H C -0.188 174.938 175.328 -0.336 0.000 1.259 191 H CA 0.598 56.310 56.048 -0.560 0.000 1.153 191 H CB -1.375 27.617 29.762 -1.283 0.000 1.395 191 H HN 0.425 nan 8.280 nan 0.000 0.420 192 I N 1.001 121.595 120.570 0.039 0.000 2.339 192 I HA 0.187 4.357 4.170 -0.001 0.000 0.290 192 I C -0.011 176.301 176.117 0.324 0.000 0.994 192 I CA -0.315 60.965 61.300 -0.035 0.000 1.191 192 I CB 0.698 38.484 38.000 -0.356 0.000 1.343 192 I HN 0.069 nan 8.210 nan 0.000 0.458 193 W N 7.111 128.427 121.300 0.027 0.000 2.551 193 W HA 0.625 5.285 4.660 0.000 0.000 0.330 193 W C -0.675 176.001 176.519 0.262 0.000 1.063 193 W CA -0.774 56.667 57.345 0.160 0.000 1.222 193 W CB 1.388 30.968 29.460 0.200 0.000 1.349 193 W HN 0.211 nan 8.180 nan 0.000 0.536 194 L N 3.582 125.014 121.223 0.349 0.000 2.346 194 L HA 0.703 5.042 4.340 -0.001 0.000 0.276 194 L C -0.071 176.864 176.870 0.107 0.000 1.006 194 L CA -0.318 54.672 54.840 0.249 0.000 0.817 194 L CB 1.323 43.446 42.059 0.108 0.000 1.272 194 L HN 0.414 nan 8.230 nan 0.000 0.421 195 S N 2.162 117.818 115.700 -0.072 0.000 2.501 195 S HA 0.675 5.144 4.470 -0.001 0.000 0.301 195 S C -1.060 173.385 174.600 -0.258 0.000 1.096 195 S CA -0.876 57.056 58.200 -0.447 0.000 1.063 195 S CB 2.058 64.861 63.200 -0.661 0.000 1.042 195 S HN 0.652 nan 8.310 nan 0.000 0.494 196 D N -0.463 119.730 120.400 -0.343 0.000 2.547 196 D HA 0.631 5.271 4.640 -0.001 0.000 0.231 196 D C 0.784 176.540 176.300 -0.907 0.000 1.099 196 D CA 0.511 54.271 54.000 -0.400 0.000 0.901 196 D CB 1.774 42.511 40.800 -0.106 0.000 1.478 196 D HN 1.022 nan 8.370 nan 0.000 0.471 197 G N 1.368 109.677 108.800 -0.818 0.000 2.176 197 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.232 197 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.232 197 G C 1.158 175.507 174.900 -0.919 0.000 0.986 197 G CA 0.377 44.889 45.100 -0.979 0.000 0.643 197 G HN 0.476 nan 8.290 nan 0.000 0.522 198 L N 0.870 121.431 121.223 -1.103 0.000 2.012 198 L HA 0.048 4.388 4.340 -0.001 0.000 0.210 198 L C 1.914 178.534 176.870 -0.416 0.000 1.073 198 L CA 2.449 56.701 54.840 -0.980 0.000 0.748 198 L CB -0.378 41.246 42.059 -0.724 0.000 0.891 198 L HN 0.628 nan 8.230 nan 0.000 0.431 199 T N -2.467 111.959 114.554 -0.213 0.000 2.940 199 T HA 0.334 4.684 4.350 -0.001 0.000 0.288 199 T C -0.165 174.559 174.700 0.041 0.000 1.033 199 T CA -0.811 61.268 62.100 -0.036 0.000 1.033 199 T CB 1.590 70.537 68.868 0.131 0.000 1.079 199 T HN 0.321 nan 8.240 nan 0.000 0.496 200 N N 0.909 119.645 118.700 0.061 0.000 2.696 200 N HA 0.140 4.879 4.740 -0.001 0.000 0.308 200 N C 0.097 175.625 175.510 0.031 0.000 1.915 200 N CA -1.124 51.937 53.050 0.019 0.000 0.906 200 N CB -0.433 38.047 38.487 -0.012 0.000 1.284 200 N HN 0.719 nan 8.380 nan 0.000 0.488 201 F N -1.028 118.908 119.950 -0.023 0.000 2.748 201 F HA 0.334 4.861 4.527 -0.000 0.000 0.299 201 F C 0.357 176.156 175.800 -0.002 0.000 1.154 201 F CA -0.437 57.555 58.000 -0.013 0.000 1.446 201 F CB 0.042 39.039 39.000 -0.004 0.000 1.112 201 F HN 0.162 nan 8.300 nan 0.000 0.584 202 S N 0.597 115.869 115.700 -0.714 0.000 2.397 202 S HA 0.374 4.844 4.470 -0.001 0.000 0.190 202 S C -2.150 172.240 174.600 -0.351 0.000 1.100 202 S CA -0.967 56.912 58.200 -0.535 0.000 1.150 202 S CB 0.506 63.267 63.200 -0.731 0.000 1.302 202 S HN -0.143 nan 8.310 nan 0.000 0.417 203 P HA -0.123 nan 4.420 nan 0.000 0.216 203 P C 1.414 178.649 177.300 -0.108 0.000 1.153 203 P CA 1.140 64.168 63.100 -0.120 0.000 0.858 203 P CB 0.070 31.725 31.700 -0.074 0.000 0.789 204 L N -1.322 119.836 121.223 -0.108 0.000 1.976 204 L HA -0.086 4.254 4.340 -0.001 0.000 0.209 204 L C 2.761 179.576 176.870 -0.092 0.000 1.071 204 L CA 2.104 56.894 54.840 -0.083 0.000 0.746 204 L CB -1.981 40.036 42.059 -0.070 0.000 0.890 204 L HN 0.029 nan 8.230 nan 0.000 0.432 205 G N -0.645 108.076 108.800 -0.133 0.000 2.448 205 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 205 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 205 G C 1.056 175.882 174.900 -0.124 0.000 1.127 205 G CA 0.872 45.895 45.100 -0.129 0.000 0.766 205 G HN 0.307 nan 8.290 nan 0.000 0.552 206 D N -0.056 120.247 120.400 -0.162 0.000 2.097 206 D HA -0.078 4.562 4.640 -0.001 0.000 0.195 206 D C 2.418 178.699 176.300 -0.032 0.000 0.989 206 D CA 0.558 54.500 54.000 -0.097 0.000 0.827 206 D CB -0.165 40.571 40.800 -0.106 0.000 0.966 206 D HN 0.035 nan 8.370 nan 0.000 0.456 207 M N 0.747 120.324 119.600 -0.040 0.000 2.065 207 M HA -0.095 4.384 4.480 -0.001 0.000 0.259 207 M C 2.122 178.411 176.300 -0.020 0.000 1.069 207 M CA 1.405 56.690 55.300 -0.025 0.000 1.110 207 M CB -1.090 31.489 32.600 -0.035 0.000 1.328 207 M HN 0.043 nan 8.290 nan 0.000 0.405 208 A N -0.564 122.240 122.820 -0.027 0.000 1.908 208 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 208 A C 2.302 179.882 177.584 -0.006 0.000 1.181 208 A CA 2.220 54.247 52.037 -0.017 0.000 0.627 208 A CB -0.758 18.229 19.000 -0.022 0.000 0.818 208 A HN 0.571 nan 8.150 nan 0.000 0.445 209 R N -0.920 119.575 120.500 -0.007 0.000 2.081 209 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 209 R C 2.001 178.311 176.300 0.017 0.000 1.131 209 R CA 1.671 57.775 56.100 0.007 0.000 0.960 209 R CB -0.444 29.859 30.300 0.006 0.000 0.856 209 R HN 0.416 nan 8.270 nan 0.000 0.436 210 L N 1.243 122.481 121.223 0.025 0.000 2.017 210 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 210 L C 1.728 178.606 176.870 0.014 0.000 1.073 210 L CA 1.887 56.750 54.840 0.038 0.000 0.745 210 L CB -0.420 41.678 42.059 0.065 0.000 0.894 210 L HN 0.084 nan 8.230 nan 0.000 0.432 211 K N -0.189 120.213 120.400 0.003 0.000 2.057 211 K HA -0.242 4.077 4.320 -0.001 0.000 0.207 211 K C 2.024 178.625 176.600 0.002 0.000 1.049 211 K CA 1.718 58.004 56.287 -0.002 0.000 0.931 211 K CB -0.325 32.172 32.500 -0.005 0.000 0.714 211 K HN 0.594 nan 8.250 nan 0.000 0.440 212 E N 0.856 121.060 120.200 0.006 0.000 2.051 212 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 212 E C 1.958 178.561 176.600 0.005 0.000 0.991 212 E CA 1.116 57.523 56.400 0.012 0.000 0.799 212 E CB -0.021 29.692 29.700 0.023 0.000 0.748 212 E HN 0.236 nan 8.360 nan 0.000 0.449 213 A N 1.233 124.054 122.820 0.001 0.000 1.877 213 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 213 A C 2.210 179.764 177.584 -0.049 0.000 1.186 213 A CA 1.404 53.426 52.037 -0.024 0.000 0.620 213 A CB -0.650 18.343 19.000 -0.011 0.000 0.822 213 A HN 0.360 nan 8.150 nan 0.000 0.443 214 I N -0.511 120.044 120.570 -0.024 0.000 2.179 214 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 214 I C 2.589 178.692 176.117 -0.023 0.000 1.088 214 I CA 1.962 63.249 61.300 -0.021 0.000 1.357 214 I CB -0.287 37.712 38.000 -0.003 0.000 1.051 214 I HN 0.412 nan 8.210 nan 0.000 0.409 215 K N 0.540 120.932 120.400 -0.014 0.000 2.063 215 K HA -0.239 4.081 4.320 -0.001 0.000 0.208 215 K C 2.352 178.939 176.600 -0.021 0.000 1.048 215 K CA 1.976 58.258 56.287 -0.008 0.000 0.928 215 K CB -0.132 32.369 32.500 0.002 0.000 0.713 215 K HN 0.153 nan 8.250 nan 0.000 0.442 216 S N 0.603 116.281 115.700 -0.037 0.000 2.356 216 S HA -0.178 4.291 4.470 -0.001 0.000 0.223 216 S C 2.104 176.625 174.600 -0.131 0.000 1.032 216 S CA 1.341 59.503 58.200 -0.064 0.000 1.005 216 S CB -0.347 62.804 63.200 -0.081 0.000 0.867 216 S HN 0.434 nan 8.310 nan 0.000 0.449 217 R N 0.440 120.842 120.500 -0.163 0.000 2.103 217 R HA -0.129 4.211 4.340 -0.001 0.000 0.242 217 R C 0.843 177.092 176.300 -0.085 0.000 1.142 217 R CA 2.076 58.076 56.100 -0.165 0.000 0.960 217 R CB -0.463 29.760 30.300 -0.128 0.000 0.858 217 R HN 0.373 nan 8.270 nan 0.000 0.439 218 D N 0.384 120.755 120.400 -0.047 0.000 2.340 218 D HA -0.004 4.636 4.640 -0.001 0.000 0.220 218 D C 0.226 176.515 176.300 -0.018 0.000 1.039 218 D CA 0.383 54.371 54.000 -0.020 0.000 0.866 218 D CB 0.356 41.156 40.800 -0.000 0.000 0.913 218 D HN 0.261 nan 8.370 nan 0.000 0.523 219 S N -0.479 115.209 115.700 -0.020 0.000 2.601 219 S HA 0.484 4.954 4.470 -0.001 0.000 0.271 219 S C 1.486 176.088 174.600 0.002 0.000 1.305 219 S CA -0.275 57.923 58.200 -0.003 0.000 1.022 219 S CB 2.173 65.380 63.200 0.012 0.000 0.940 219 S HN 0.033 nan 8.310 nan 0.000 0.525 220 A N 2.237 125.064 122.820 0.011 0.000 1.940 220 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 220 A C 1.829 179.433 177.584 0.033 0.000 1.176 220 A CA 1.574 53.620 52.037 0.016 0.000 0.631 220 A CB -0.950 18.059 19.000 0.016 0.000 0.814 220 A HN 0.976 nan 8.150 nan 0.000 0.446 221 N N 0.409 119.140 118.700 0.050 0.000 2.313 221 N HA 0.125 4.865 4.740 -0.001 0.000 0.207 221 N C 0.653 176.232 175.510 0.115 0.000 1.141 221 N CA 0.570 53.672 53.050 0.086 0.000 0.830 221 N CB -0.461 38.084 38.487 0.097 0.000 1.008 221 N HN 0.274 nan 8.380 nan 0.000 0.481 222 G N 0.527 109.360 108.800 0.054 0.000 2.544 222 G HA2 0.297 4.257 3.960 -0.001 0.000 0.242 222 G HA3 0.297 4.257 3.960 -0.001 0.000 0.242 222 G C 0.179 175.079 174.900 0.000 0.000 1.247 222 G CA -0.587 44.508 45.100 -0.007 0.000 0.840 222 G HN 0.354 nan 8.290 nan 0.000 0.578 223 F N -0.391 119.456 119.950 -0.173 0.000 2.727 223 F HA 0.478 5.005 4.527 -0.000 0.000 0.302 223 F C 0.589 176.277 175.800 -0.187 0.000 1.107 223 F CA -0.839 57.005 58.000 -0.261 0.000 1.277 223 F CB 0.103 38.699 39.000 -0.672 0.000 1.079 223 F HN 0.113 nan 8.300 nan 0.000 0.594 224 I N 2.471 122.540 120.570 -0.835 0.000 2.416 224 I HA 0.142 4.312 4.170 -0.001 0.000 0.288 224 I C 0.336 176.316 176.117 -0.229 0.000 1.051 224 I CA 0.146 61.126 61.300 -0.533 0.000 1.375 224 I CB 1.072 38.726 38.000 -0.578 0.000 1.407 224 I HN 0.203 nan 8.210 nan 0.000 0.516 225 N N 4.189 122.833 118.700 -0.094 0.000 2.368 225 N HA 0.079 4.819 4.740 -0.001 0.000 0.178 225 N C -0.294 175.130 175.510 -0.144 0.000 1.021 225 N CA 0.603 53.636 53.050 -0.028 0.000 0.875 225 N CB 0.343 38.917 38.487 0.145 0.000 1.020 225 N HN 0.396 nan 8.380 nan 0.000 0.433 226 K N 0.622 120.822 120.400 -0.334 0.000 2.435 226 K HA 0.472 4.791 4.320 -0.001 0.000 0.251 226 K C -1.202 175.111 176.600 -0.478 0.000 0.954 226 K CA -0.419 55.486 56.287 -0.636 0.000 0.820 226 K CB 2.615 34.159 32.500 -1.593 0.000 1.292 226 K HN -0.052 nan 8.250 nan 0.000 0.436 227 I N 2.628 123.012 120.570 -0.310 0.000 2.465 227 I HA 0.381 4.551 4.170 -0.001 0.000 0.291 227 I C -0.813 175.313 176.117 0.014 0.000 1.014 227 I CA -1.150 60.100 61.300 -0.083 0.000 1.093 227 I CB 1.276 39.253 38.000 -0.038 0.000 1.267 227 I HN 0.527 nan 8.210 nan 0.000 0.431 228 Y N 4.322 124.579 120.300 -0.073 0.000 2.446 228 Y HA 0.637 5.186 4.550 -0.001 0.000 0.345 228 Y C -1.461 174.565 175.900 0.209 0.000 0.984 228 Y CA -1.285 56.856 58.100 0.069 0.000 1.058 228 Y CB 1.197 39.734 38.460 0.128 0.000 1.220 228 Y HN 0.439 nan 8.280 nan 0.000 0.455 229 Y N 4.433 124.821 120.300 0.146 0.000 2.360 229 Y HA 0.468 5.018 4.550 -0.000 0.000 0.337 229 Y C -0.939 175.075 175.900 0.189 0.000 1.039 229 Y CA -1.389 56.748 58.100 0.061 0.000 1.109 229 Y CB 1.040 39.513 38.460 0.022 0.000 1.201 229 Y HN 0.906 nan 8.280 nan 0.000 0.458 230 W N 3.766 124.794 121.300 -0.453 0.000 2.719 230 W HA 0.637 5.297 4.660 -0.001 0.000 0.352 230 W C -0.636 175.750 176.519 -0.221 0.000 1.085 230 W CA -1.674 55.530 57.345 -0.235 0.000 1.187 230 W CB 0.580 29.929 29.460 -0.185 0.000 1.417 230 W HN 0.591 nan 8.180 nan 0.000 0.557 231 S N 1.142 116.986 115.700 0.239 0.000 3.509 231 S HA -0.085 4.385 4.470 -0.001 0.000 0.314 231 S C -0.561 174.135 174.600 0.160 0.000 0.844 231 S CA 0.646 58.900 58.200 0.091 0.000 1.361 231 S CB -1.462 61.741 63.200 0.004 0.000 1.359 231 S HN 0.647 nan 8.310 nan 0.000 0.501 232 V N 3.696 123.722 119.914 0.187 0.000 2.350 232 V HA 0.336 4.456 4.120 -0.001 0.000 0.285 232 V C 0.296 176.485 176.094 0.159 0.000 1.014 232 V CA -0.474 61.936 62.300 0.182 0.000 0.831 232 V CB 1.889 33.826 31.823 0.190 0.000 1.000 232 V HN 0.670 nan 8.190 nan 0.000 0.433 233 D N 2.580 123.086 120.400 0.177 0.000 2.500 233 D HA 0.224 4.863 4.640 -0.001 0.000 0.218 233 D C 0.455 176.892 176.300 0.229 0.000 1.140 233 D CA 0.278 54.450 54.000 0.287 0.000 0.830 233 D CB 0.920 41.958 40.800 0.395 0.000 1.055 233 D HN 0.461 nan 8.370 nan 0.000 0.512 234 K N -0.181 120.291 120.400 0.120 0.000 2.340 234 K HA 0.401 4.720 4.320 -0.001 0.000 0.244 234 K C 0.915 177.522 176.600 0.012 0.000 0.973 234 K CA -0.774 55.547 56.287 0.055 0.000 0.828 234 K CB 3.017 35.538 32.500 0.035 0.000 1.226 234 K HN -0.360 nan 8.250 nan 0.000 0.437 235 V N 0.884 120.786 119.914 -0.019 0.000 2.287 235 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 235 V C 2.306 178.350 176.094 -0.082 0.000 1.053 235 V CA 2.591 64.853 62.300 -0.064 0.000 1.027 235 V CB -0.665 31.116 31.823 -0.069 0.000 0.646 235 V HN 1.002 nan 8.190 nan 0.000 0.447 236 S N 1.087 116.756 115.700 -0.052 0.000 2.359 236 S HA -0.262 4.208 4.470 -0.001 0.000 0.224 236 S C 2.075 176.643 174.600 -0.053 0.000 1.035 236 S CA 2.104 60.276 58.200 -0.048 0.000 1.018 236 S CB -1.171 62.014 63.200 -0.026 0.000 0.876 236 S HN 0.756 nan 8.310 nan 0.000 0.448 237 T N -0.846 113.686 114.554 -0.037 0.000 2.904 237 T HA -0.040 4.309 4.350 -0.001 0.000 0.267 237 T C 1.886 176.546 174.700 -0.066 0.000 1.059 237 T CA 1.577 63.651 62.100 -0.043 0.000 1.137 237 T CB -1.335 67.533 68.868 0.000 0.000 0.879 237 T HN 0.437 nan 8.240 nan 0.000 0.467 238 T N 2.126 116.644 114.554 -0.060 0.000 2.674 238 T HA -0.042 4.307 4.350 -0.001 0.000 0.265 238 T C 1.971 176.578 174.700 -0.155 0.000 1.039 238 T CA 1.344 63.393 62.100 -0.086 0.000 1.150 238 T CB -0.252 68.570 68.868 -0.076 0.000 0.864 238 T HN 0.477 nan 8.240 nan 0.000 0.427 239 K N 1.180 121.460 120.400 -0.200 0.000 2.103 239 K HA -0.017 4.303 4.320 -0.001 0.000 0.207 239 K C 2.647 179.232 176.600 -0.025 0.000 1.048 239 K CA 1.235 57.397 56.287 -0.207 0.000 0.930 239 K CB -0.304 32.037 32.500 -0.265 0.000 0.716 239 K HN 0.291 nan 8.250 nan 0.000 0.444 240 A N 1.501 124.285 122.820 -0.059 0.000 1.933 240 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 240 A C 2.364 179.874 177.584 -0.124 0.000 1.175 240 A CA 1.787 53.785 52.037 -0.066 0.000 0.628 240 A CB -0.583 18.364 19.000 -0.089 0.000 0.814 240 A HN 0.337 nan 8.150 nan 0.000 0.444 241 A N -0.212 122.505 122.820 -0.171 0.000 1.873 241 A HA 0.014 4.334 4.320 -0.001 0.000 0.215 241 A C 2.165 179.640 177.584 -0.181 0.000 1.186 241 A CA 1.387 53.297 52.037 -0.213 0.000 0.616 241 A CB -0.600 18.296 19.000 -0.174 0.000 0.823 241 A HN 0.454 nan 8.150 nan 0.000 0.442 242 L N -0.404 120.676 121.223 -0.239 0.000 2.046 242 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 242 L C 1.922 178.614 176.870 -0.297 0.000 1.077 242 L CA 1.494 56.036 54.840 -0.496 0.000 0.747 242 L CB -0.656 40.871 42.059 -0.887 0.000 0.896 242 L HN 0.301 nan 8.230 nan 0.000 0.432 243 D N -0.774 119.587 120.400 -0.065 0.000 2.264 243 D HA -0.134 4.505 4.640 -0.001 0.000 0.208 243 D C 2.097 178.425 176.300 0.047 0.000 0.966 243 D CA 0.850 54.904 54.000 0.090 0.000 0.864 243 D CB 0.101 40.974 40.800 0.121 0.000 0.933 243 D HN 0.126 nan 8.370 nan 0.000 0.499 244 V N -0.482 119.419 119.914 -0.020 0.000 3.129 244 V HA 0.175 4.294 4.120 -0.001 0.000 0.259 244 V C 1.322 177.415 176.094 -0.000 0.000 1.116 244 V CA 1.488 63.772 62.300 -0.025 0.000 1.127 244 V CB 0.167 31.942 31.823 -0.081 0.000 0.742 244 V HN 0.391 nan 8.190 nan 0.000 0.474 245 G N 0.066 108.869 108.800 0.005 0.000 2.148 245 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.157 245 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.157 245 G C 0.126 175.037 174.900 0.019 0.000 1.012 245 G CA 0.101 45.231 45.100 0.050 0.000 0.677 245 G HN 1.336 nan 8.290 nan 0.000 0.506 246 V N -2.003 117.898 119.914 -0.021 0.000 3.096 246 V HA 0.529 4.649 4.120 -0.001 0.000 0.306 246 V C 0.960 177.046 176.094 -0.012 0.000 1.088 246 V CA 0.717 63.014 62.300 -0.005 0.000 1.129 246 V CB 1.265 33.106 31.823 0.031 0.000 1.014 246 V HN 0.109 nan 8.190 nan 0.000 0.486 247 D N 2.271 122.657 120.400 -0.024 0.000 2.366 247 D HA 0.245 4.884 4.640 -0.001 0.000 0.205 247 D C 0.724 177.076 176.300 0.087 0.000 1.022 247 D CA 1.297 55.294 54.000 -0.005 0.000 0.868 247 D CB 1.005 41.722 40.800 -0.139 0.000 0.953 247 D HN 0.901 nan 8.370 nan 0.000 0.514 248 G N 0.514 109.359 108.800 0.075 0.000 2.667 248 G HA2 0.519 4.479 3.960 -0.001 0.000 0.298 248 G HA3 0.519 4.479 3.960 -0.001 0.000 0.298 248 G C -1.238 173.818 174.900 0.259 0.000 1.377 248 G CA -0.366 44.852 45.100 0.198 0.000 0.964 248 G HN -0.111 nan 8.290 nan 0.000 0.493 249 I N 1.882 122.612 120.570 0.267 0.000 2.418 249 I HA 0.376 4.546 4.170 -0.001 0.000 0.287 249 I C -0.223 176.068 176.117 0.291 0.000 1.008 249 I CA -0.829 60.626 61.300 0.257 0.000 1.104 249 I CB 1.670 39.764 38.000 0.156 0.000 1.264 249 I HN 0.584 nan 8.210 nan 0.000 0.438 250 M N 6.528 126.329 119.600 0.335 0.000 2.157 250 M HA 0.494 4.974 4.480 -0.001 0.000 0.354 250 M C -0.439 175.959 176.300 0.163 0.000 1.170 250 M CA 0.619 56.079 55.300 0.267 0.000 1.060 250 M CB 1.128 33.909 32.600 0.301 0.000 1.615 250 M HN 0.658 nan 8.290 nan 0.000 0.460 251 T N 2.691 117.311 114.554 0.111 0.000 2.923 251 T HA 0.419 4.768 4.350 -0.001 0.000 0.311 251 T C 0.222 174.923 174.700 0.002 0.000 1.183 251 T CA -0.819 61.322 62.100 0.068 0.000 1.020 251 T CB 1.023 69.962 68.868 0.118 0.000 1.165 251 T HN 0.799 nan 8.240 nan 0.000 0.482 252 N N 1.700 120.296 118.700 -0.174 0.000 2.494 252 N HA 0.039 4.779 4.740 -0.001 0.000 0.182 252 N C -0.731 174.456 175.510 -0.538 0.000 1.076 252 N CA 0.808 53.605 53.050 -0.423 0.000 0.908 252 N CB 0.152 38.152 38.487 -0.811 0.000 0.967 252 N HN 0.580 nan 8.380 nan 0.000 0.449 253 Y N -0.895 119.540 120.300 0.226 0.000 2.592 253 Y HA 0.368 4.917 4.550 -0.000 0.000 0.354 253 Y C -1.943 174.037 175.900 0.134 0.000 1.063 253 Y CA -2.353 55.844 58.100 0.162 0.000 1.205 253 Y CB 1.480 39.998 38.460 0.097 0.000 1.106 253 Y HN -0.115 nan 8.280 nan 0.000 0.649 254 P HA -0.171 nan 4.420 nan 0.000 0.221 254 P C 1.249 178.625 177.300 0.128 0.000 1.145 254 P CA 1.592 64.797 63.100 0.175 0.000 0.795 254 P CB 0.347 32.157 31.700 0.183 0.000 0.775 255 N N -0.620 118.155 118.700 0.126 0.000 2.289 255 N HA -0.095 4.645 4.740 -0.001 0.000 0.184 255 N C 1.476 177.023 175.510 0.063 0.000 1.016 255 N CA 1.094 54.188 53.050 0.073 0.000 0.872 255 N CB -1.291 37.228 38.487 0.053 0.000 0.973 255 N HN 0.053 nan 8.380 nan 0.000 0.433 256 V N 1.594 121.565 119.914 0.095 0.000 2.255 256 V HA -0.210 3.910 4.120 -0.001 0.000 0.247 256 V C 2.586 178.694 176.094 0.023 0.000 1.051 256 V CA 1.467 63.801 62.300 0.057 0.000 1.018 256 V CB -0.712 31.167 31.823 0.094 0.000 0.641 256 V HN 0.238 nan 8.190 nan 0.000 0.445 257 L N -0.228 121.018 121.223 0.039 0.000 2.083 257 L HA -0.115 4.225 4.340 -0.001 0.000 0.209 257 L C 2.234 179.108 176.870 0.006 0.000 1.083 257 L CA 1.813 56.658 54.840 0.009 0.000 0.752 257 L CB -0.627 41.451 42.059 0.032 0.000 0.899 257 L HN 0.144 nan 8.230 nan 0.000 0.433 258 I N 0.265 120.849 120.570 0.022 0.000 2.151 258 I HA -0.238 3.931 4.170 -0.001 0.000 0.243 258 I C 2.586 178.708 176.117 0.009 0.000 1.080 258 I CA 1.570 62.880 61.300 0.017 0.000 1.339 258 I CB -2.281 35.732 38.000 0.021 0.000 1.039 258 I HN 0.414 nan 8.210 nan 0.000 0.409 259 G N 0.484 109.285 108.800 0.001 0.000 2.418 259 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.217 259 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.217 259 G C 1.874 176.760 174.900 -0.023 0.000 1.158 259 G CA 0.952 46.046 45.100 -0.009 0.000 0.771 259 G HN 0.281 nan 8.290 nan 0.000 0.545 260 V N 1.067 120.946 119.914 -0.058 0.000 2.332 260 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 260 V C 2.843 178.921 176.094 -0.027 0.000 1.055 260 V CA 1.450 63.670 62.300 -0.134 0.000 1.038 260 V CB -0.410 31.269 31.823 -0.240 0.000 0.651 260 V HN 0.350 nan 8.190 nan 0.000 0.450 261 L N -0.617 120.622 121.223 0.026 0.000 2.456 261 L HA -0.132 4.207 4.340 -0.001 0.000 0.224 261 L C 2.259 179.189 176.870 0.099 0.000 1.148 261 L CA 1.234 56.136 54.840 0.103 0.000 0.825 261 L CB -0.481 41.620 42.059 0.071 0.000 0.937 261 L HN 0.329 nan 8.230 nan 0.000 0.450 262 K N -0.332 120.107 120.400 0.064 0.000 2.361 262 K HA 0.061 4.381 4.320 -0.001 0.000 0.196 262 K C 0.304 176.950 176.600 0.077 0.000 1.039 262 K CA 0.099 56.420 56.287 0.057 0.000 1.001 262 K CB 0.231 32.750 32.500 0.032 0.000 0.795 262 K HN 0.344 nan 8.250 nan 0.000 0.495 263 E N 1.542 121.807 120.200 0.108 0.000 2.366 263 E HA 0.081 4.430 4.350 -0.001 0.000 0.266 263 E C -0.458 176.252 176.600 0.183 0.000 1.051 263 E CA -0.274 56.207 56.400 0.136 0.000 0.884 263 E CB 1.032 30.817 29.700 0.141 0.000 1.006 263 E HN 0.019 nan 8.360 nan 0.000 0.417 264 S N 0.931 116.709 115.700 0.130 0.000 2.558 264 S HA 0.203 4.673 4.470 -0.001 0.000 0.288 264 S C 1.250 175.914 174.600 0.106 0.000 1.318 264 S CA 0.276 58.531 58.200 0.091 0.000 1.056 264 S CB 0.703 63.938 63.200 0.058 0.000 0.853 264 S HN 0.895 nan 8.310 nan 0.000 0.505 265 G N 1.007 109.804 108.800 -0.006 0.000 2.212 265 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.266 265 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.266 265 G C 0.378 175.003 174.900 -0.459 0.000 0.978 265 G CA 0.756 45.757 45.100 -0.165 0.000 0.632 265 G HN 0.735 nan 8.290 nan 0.000 0.537 266 Y N 0.448 120.795 120.300 0.079 0.000 2.664 266 Y HA 0.141 4.691 4.550 -0.001 0.000 0.278 266 Y C 2.310 178.270 175.900 0.100 0.000 1.130 266 Y CA 0.753 58.969 58.100 0.193 0.000 1.260 266 Y CB -0.202 38.387 38.460 0.214 0.000 1.369 266 Y HN 0.342 nan 8.280 nan 0.000 0.499 267 N N -0.601 118.199 118.700 0.166 0.000 2.550 267 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 267 N C 0.306 175.814 175.510 -0.004 0.000 1.110 267 N CA 1.337 54.440 53.050 0.088 0.000 0.912 267 N CB -0.277 38.256 38.487 0.076 0.000 0.968 267 N HN 0.191 nan 8.380 nan 0.000 0.448 268 D N -0.580 119.778 120.400 -0.070 0.000 2.369 268 D HA 0.160 4.800 4.640 -0.001 0.000 0.211 268 D C 0.620 176.790 176.300 -0.216 0.000 1.077 268 D CA 0.230 54.163 54.000 -0.112 0.000 0.842 268 D CB 0.470 41.216 40.800 -0.091 0.000 0.947 268 D HN 0.376 nan 8.370 nan 0.000 0.509 269 K N -1.047 119.121 120.400 -0.385 0.000 2.474 269 K HA 0.133 4.453 4.320 -0.001 0.000 0.202 269 K C -0.476 175.630 176.600 -0.823 0.000 1.248 269 K CA 0.167 56.012 56.287 -0.737 0.000 0.946 269 K CB 1.336 33.058 32.500 -1.298 0.000 1.102 269 K HN -0.066 nan 8.250 nan 0.000 0.541 270 Y N 0.916 121.192 120.300 -0.040 0.000 2.524 270 Y HA 0.465 5.014 4.550 -0.001 0.000 0.347 270 Y C -0.589 175.280 175.900 -0.052 0.000 1.005 270 Y CA -1.446 56.617 58.100 -0.062 0.000 1.025 270 Y CB 1.618 40.080 38.460 0.004 0.000 1.275 270 Y HN -0.137 nan 8.280 nan 0.000 0.460 271 R N 0.971 121.508 120.500 0.061 0.000 2.739 271 R HA 0.706 5.045 4.340 -0.001 0.000 0.271 271 R C -2.096 174.166 176.300 -0.063 0.000 1.010 271 R CA -1.167 54.934 56.100 0.001 0.000 0.897 271 R CB 1.627 31.908 30.300 -0.031 0.000 1.236 271 R HN 0.591 nan 8.270 nan 0.000 0.466 272 L N 2.030 123.210 121.223 -0.071 0.000 2.462 272 L HA 0.366 4.705 4.340 -0.001 0.000 0.272 272 L C 0.039 176.761 176.870 -0.248 0.000 1.166 272 L CA 0.439 55.197 54.840 -0.136 0.000 0.880 272 L CB 0.844 42.852 42.059 -0.084 0.000 1.142 272 L HN 0.876 nan 8.230 nan 0.000 0.473 273 A N 3.685 126.215 122.820 -0.482 0.000 2.483 273 A HA 0.499 4.818 4.320 -0.001 0.000 0.238 273 A C 0.430 177.763 177.584 -0.418 0.000 1.070 273 A CA 0.349 51.963 52.037 -0.704 0.000 0.770 273 A CB -0.198 17.734 19.000 -1.781 0.000 1.008 273 A HN 0.888 nan 8.150 nan 0.000 0.497 274 T N -1.614 112.783 114.554 -0.261 0.000 2.905 274 T HA 0.402 4.751 4.350 -0.001 0.000 0.283 274 T C 0.742 175.463 174.700 0.035 0.000 1.031 274 T CA -0.117 61.945 62.100 -0.064 0.000 1.002 274 T CB 0.429 69.296 68.868 -0.002 0.000 1.200 274 T HN 0.563 nan 8.240 nan 0.000 0.560 275 Y N 0.708 121.029 120.300 0.035 0.000 2.256 275 Y HA -0.082 4.468 4.550 -0.001 0.000 0.288 275 Y C 1.707 177.685 175.900 0.129 0.000 1.155 275 Y CA 1.912 60.088 58.100 0.126 0.000 1.203 275 Y CB -0.473 38.075 38.460 0.147 0.000 0.980 275 Y HN 0.647 nan 8.280 nan 0.000 0.530 276 D N -0.129 120.306 120.400 0.058 0.000 2.355 276 D HA -0.052 4.588 4.640 -0.001 0.000 0.218 276 D C -0.325 175.947 176.300 -0.047 0.000 1.004 276 D CA 0.585 54.575 54.000 -0.016 0.000 0.880 276 D CB -0.227 40.607 40.800 0.057 0.000 0.911 276 D HN 0.369 nan 8.370 nan 0.000 0.528 277 D N 1.483 121.853 120.400 -0.051 0.000 2.336 277 D HA -0.007 4.632 4.640 -0.001 0.000 0.249 277 D C 0.294 176.585 176.300 -0.015 0.000 1.213 277 D CA -0.204 53.792 54.000 -0.006 0.000 0.870 277 D CB 0.475 41.244 40.800 -0.051 0.000 1.076 277 D HN -0.058 nan 8.370 nan 0.000 0.483 278 N N 3.896 122.540 118.700 -0.094 0.000 2.438 278 N HA 0.012 4.751 4.740 -0.001 0.000 0.267 278 N C -1.653 173.611 175.510 -0.409 0.000 1.222 278 N CA -1.557 51.282 53.050 -0.352 0.000 0.930 278 N CB 1.055 39.420 38.487 -0.202 0.000 1.083 278 N HN 0.115 nan 8.380 nan 0.000 0.476 279 P HA -0.017 nan 4.420 nan 0.000 0.237 279 P C 0.151 177.178 177.300 -0.455 0.000 1.178 279 P CA 0.894 63.433 63.100 -0.936 0.000 0.766 279 P CB -0.154 30.632 31.700 -1.523 0.000 0.876 280 W N 0.313 121.470 121.300 -0.239 0.000 3.278 280 W HA 0.271 4.931 4.660 0.001 0.000 0.308 280 W C 0.760 177.248 176.519 -0.051 0.000 1.253 280 W CA -0.710 56.550 57.345 -0.142 0.000 1.759 280 W CB 0.387 29.621 29.460 -0.376 0.000 1.093 280 W HN -0.030 nan 8.180 nan 0.000 0.648 281 E N 1.532 121.792 120.200 0.101 0.000 2.146 281 E HA 0.157 4.507 4.350 -0.001 0.000 0.282 281 E C -0.232 176.426 176.600 0.097 0.000 0.989 281 E CA -0.280 56.179 56.400 0.098 0.000 0.799 281 E CB 0.996 30.738 29.700 0.070 0.000 1.088 281 E HN -0.256 nan 8.360 nan 0.000 0.397 282 T N 4.900 119.503 114.554 0.081 0.000 2.853 282 T HA 0.006 4.355 4.350 -0.001 0.000 0.298 282 T C -0.093 174.672 174.700 0.109 0.000 0.978 282 T CA -0.095 62.045 62.100 0.067 0.000 1.152 282 T CB -0.132 68.749 68.868 0.022 0.000 0.914 282 T HN 0.315 nan 8.240 nan 0.000 0.539 283 F N 3.742 123.697 119.950 0.007 0.000 2.543 283 F HA 0.224 4.751 4.527 -0.001 0.000 0.375 283 F C 0.593 176.400 175.800 0.012 0.000 1.075 283 F CA -0.473 57.542 58.000 0.025 0.000 1.225 283 F CB 0.258 39.284 39.000 0.044 0.000 1.099 283 F HN 0.374 nan 8.300 nan 0.000 0.561 284 K N 6.950 126.908 120.400 -0.736 0.000 2.292 284 K HA 0.183 4.503 4.320 -0.001 0.000 0.270 284 K C 0.020 176.066 176.600 -0.923 0.000 1.062 284 K CA -0.776 55.156 56.287 -0.591 0.000 0.916 284 K CB 0.289 32.599 32.500 -0.317 0.000 1.166 284 K HN 0.677 nan 8.250 nan 0.000 0.458 285 N N 0.000 118.344 118.700 -0.593 0.000 1.763 285 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 285 N CA 0.000 52.919 53.050 -0.219 0.000 0.885 285 N CB 0.000 38.457 38.487 -0.049 0.000 1.341 285 N HN 0.000 nan 8.380 nan 0.000 0.667