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 3cok_1_B DATA FIRST_RESID -1 DATA SEQUENCE SLATCIGEKI EDFKVGNLLG KGSFAGVYRA ESIHTGLEVA IKMIDKKAMY DATA SEQUENCE KAGMVQRVQN EVKIHCQLKH PSILELYNYF EDSNYVYLVL EMCHNGEMNR DATA SEQUENCE YLKNRVKPFS ENEARHFMHQ IITGMLYLHS HGILHRDLTL SNLLLTRNMN DATA SEQUENCE IKIADFGLAT QLKXXXXXXX XXXXXXXXXX XXXXXXXXXX LESDVWSLGC DATA SEQUENCE MFYTLLIGRP PFXXXXXXNT LNKVVLADYE MPSFLSIEAK DLIHQLLRRN DATA SEQUENCE PADRLSLSSV LDHPFMS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.588 174.600 -0.021 0.000 1.055 -1 S CA 0.000 58.189 58.200 -0.019 0.000 1.107 -1 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 0 L N 4.347 125.565 121.223 -0.009 0.000 1.990 0 L HA -0.076 4.264 4.340 0.001 0.000 0.213 0 L C 2.562 179.432 176.870 -0.001 0.000 1.072 0 L CA 2.776 57.609 54.840 -0.013 0.000 0.755 0 L CB -1.140 40.917 42.059 -0.003 0.000 0.889 0 L HN 0.985 nan 8.230 nan 0.000 0.432 1 A N -0.810 122.029 122.820 0.032 0.000 1.892 1 A HA -0.274 4.047 4.320 0.001 0.000 0.218 1 A C 2.207 179.816 177.584 0.042 0.000 1.188 1 A CA 2.664 54.741 52.037 0.067 0.000 0.631 1 A CB -1.175 17.867 19.000 0.069 0.000 0.822 1 A HN 0.517 nan 8.150 nan 0.000 0.447 2 T N -1.009 113.543 114.554 -0.003 0.000 2.788 2 T HA -0.174 4.176 4.350 0.001 0.000 0.268 2 T C 1.881 176.543 174.700 -0.063 0.000 1.044 2 T CA 1.543 63.619 62.100 -0.039 0.000 1.139 2 T CB -0.625 68.209 68.868 -0.057 0.000 0.867 2 T HN 0.600 nan 8.240 nan 0.000 0.454 3 C N 0.658 119.922 119.300 -0.060 0.000 2.440 3 C HA 0.080 4.540 4.460 0.001 0.000 0.278 3 C C 2.604 177.565 174.990 -0.048 0.000 1.295 3 C CA 0.050 59.023 59.018 -0.075 0.000 1.738 3 C CB -1.183 26.516 27.740 -0.068 0.000 1.987 3 C HN 0.550 nan 8.230 nan 0.000 0.492 4 I N 0.301 120.851 120.570 -0.032 0.000 2.179 4 I HA 0.065 4.235 4.170 0.001 0.000 0.242 4 I C 1.303 177.339 176.117 -0.134 0.000 1.088 4 I CA 1.833 63.122 61.300 -0.017 0.000 1.357 4 I CB -0.439 37.598 38.000 0.061 0.000 1.051 4 I HN 0.545 nan 8.210 nan 0.000 0.409 5 G N 0.467 109.233 108.800 -0.057 0.000 2.351 5 G HA2 0.156 4.117 3.960 0.001 0.000 0.296 5 G HA3 0.156 4.117 3.960 0.001 0.000 0.296 5 G C -0.313 174.607 174.900 0.034 0.000 1.685 5 G CA -0.222 44.721 45.100 -0.262 0.000 0.936 5 G HN 0.353 nan 8.290 nan 0.000 0.714 6 E N -0.208 119.865 120.200 -0.211 0.000 2.676 6 E HA 0.309 4.660 4.350 0.001 0.000 0.222 6 E C 0.375 176.404 176.600 -0.951 0.000 0.968 6 E CA -0.239 55.966 56.400 -0.325 0.000 1.090 6 E CB 0.537 30.139 29.700 -0.164 0.000 1.066 6 E HN 0.713 nan 8.360 nan 0.000 0.496 7 K N -0.423 119.279 120.400 -1.164 0.000 2.607 7 K HA 0.242 4.563 4.320 0.001 0.000 0.287 7 K C -0.093 176.096 176.600 -0.685 0.000 0.996 7 K CA -0.819 54.721 56.287 -1.245 0.000 0.876 7 K CB 0.972 33.172 32.500 -0.500 0.000 1.496 7 K HN -0.055 nan 8.250 nan 0.000 0.415 8 I N 1.757 122.100 120.570 -0.377 0.000 2.361 8 I HA -0.207 3.964 4.170 0.001 0.000 0.251 8 I C 1.853 177.987 176.117 0.028 0.000 1.133 8 I CA 1.593 62.852 61.300 -0.068 0.000 1.413 8 I CB -0.170 37.673 38.000 -0.263 0.000 1.073 8 I HN 0.760 nan 8.210 nan 0.000 0.424 9 E N -0.546 119.612 120.200 -0.069 0.000 2.472 9 E HA -0.193 4.157 4.350 0.001 0.000 0.200 9 E C 0.901 177.415 176.600 -0.143 0.000 1.046 9 E CA 0.661 57.017 56.400 -0.072 0.000 0.871 9 E CB -0.740 28.917 29.700 -0.072 0.000 0.806 9 E HN 0.498 nan 8.360 nan 0.000 0.533 10 D N -0.017 120.248 120.400 -0.225 0.000 2.378 10 D HA 0.062 4.702 4.640 0.001 0.000 0.227 10 D C -0.488 175.389 176.300 -0.705 0.000 1.012 10 D CA 0.468 54.172 54.000 -0.493 0.000 0.905 10 D CB -0.165 40.258 40.800 -0.627 0.000 0.895 10 D HN 0.138 nan 8.370 nan 0.000 0.532 11 F N -0.493 119.391 119.950 -0.109 0.000 2.565 11 F HA 0.236 4.763 4.527 0.001 0.000 0.313 11 F C 0.295 176.057 175.800 -0.063 0.000 1.091 11 F CA -1.119 56.843 58.000 -0.064 0.000 0.915 11 F CB 1.712 40.702 39.000 -0.016 0.000 1.208 11 F HN -0.625 nan 8.300 nan 0.000 0.453 12 K N 2.173 122.654 120.400 0.134 0.000 2.250 12 K HA 0.456 4.776 4.320 0.001 0.000 0.280 12 K C -0.596 176.059 176.600 0.093 0.000 1.098 12 K CA -0.588 55.743 56.287 0.074 0.000 0.916 12 K CB 0.965 33.488 32.500 0.038 0.000 1.209 12 K HN 0.446 nan 8.250 nan 0.000 0.461 13 V N 3.194 123.142 119.914 0.056 0.000 2.427 13 V HA 0.359 4.480 4.120 0.001 0.000 0.268 13 V C 1.326 177.440 176.094 0.033 0.000 1.046 13 V CA 0.046 62.358 62.300 0.019 0.000 0.970 13 V CB 0.840 32.610 31.823 -0.088 0.000 1.001 13 V HN 0.924 nan 8.190 nan 0.000 0.476 14 G N 4.337 113.184 108.800 0.078 0.000 2.882 14 G HA2 0.223 4.184 3.960 0.001 0.000 0.164 14 G HA3 0.223 4.184 3.960 0.001 0.000 0.164 14 G C 0.002 174.997 174.900 0.158 0.000 1.429 14 G CA -0.662 44.495 45.100 0.095 0.000 1.059 14 G HN 0.569 nan 8.290 nan 0.000 0.581 15 N N -0.157 118.626 118.700 0.138 0.000 2.530 15 N HA 0.233 4.973 4.740 0.001 0.000 0.277 15 N C -0.174 175.414 175.510 0.131 0.000 1.168 15 N CA -0.526 52.608 53.050 0.140 0.000 0.979 15 N CB 1.537 40.070 38.487 0.077 0.000 1.141 15 N HN 0.258 nan 8.380 nan 0.000 0.459 16 L N 1.839 123.093 121.223 0.052 0.000 2.499 16 L HA 0.020 4.361 4.340 0.001 0.000 0.273 16 L C 0.800 177.570 176.870 -0.166 0.000 1.195 16 L CA 0.619 55.306 54.840 -0.256 0.000 0.882 16 L CB 0.201 42.085 42.059 -0.292 0.000 1.133 16 L HN 0.565 nan 8.230 nan 0.000 0.483 17 L N 4.459 125.556 121.223 -0.211 0.000 2.556 17 L HA 0.488 4.828 4.340 0.001 0.000 0.226 17 L C 0.839 177.636 176.870 -0.122 0.000 1.089 17 L CA 0.428 55.197 54.840 -0.118 0.000 0.864 17 L CB -0.178 41.827 42.059 -0.091 0.000 1.067 17 L HN 0.881 nan 8.230 nan 0.000 0.477 18 G N -0.368 108.322 108.800 -0.184 0.000 2.358 18 G HA2 0.169 4.130 3.960 0.001 0.000 0.303 18 G HA3 0.169 4.130 3.960 0.001 0.000 0.303 18 G C -1.771 173.020 174.900 -0.180 0.000 1.537 18 G CA -0.824 44.190 45.100 -0.145 0.000 0.928 18 G HN -0.222 nan 8.290 nan 0.000 0.656 19 K N -0.183 120.138 120.400 -0.132 0.000 2.371 19 K HA 0.727 5.048 4.320 0.001 0.000 0.251 19 K C 0.374 176.916 176.600 -0.096 0.000 0.934 19 K CA -0.336 55.880 56.287 -0.118 0.000 0.798 19 K CB 2.613 35.052 32.500 -0.101 0.000 1.204 19 K HN 0.804 nan 8.250 nan 0.000 0.427 20 G N -0.000 108.745 108.800 -0.091 0.000 3.008 20 G HA2 0.143 4.103 3.960 0.001 0.000 0.181 20 G HA3 0.143 4.103 3.960 0.001 0.000 0.181 20 G C 0.640 175.431 174.900 -0.183 0.000 1.309 20 G CA -0.287 44.747 45.100 -0.109 0.000 1.009 20 G HN 0.475 nan 8.290 nan 0.000 0.584 21 S N -0.557 114.957 115.700 -0.309 0.000 2.383 21 S HA 0.001 4.472 4.470 0.001 0.000 0.227 21 S C 0.814 174.896 174.600 -0.864 0.000 1.026 21 S CA 1.401 59.185 58.200 -0.694 0.000 0.981 21 S CB -0.268 62.290 63.200 -1.070 0.000 0.818 21 S HN 0.439 nan 8.310 nan 0.000 0.472 22 F N -0.151 119.786 119.950 -0.023 0.000 2.856 22 F HA 0.674 5.202 4.527 0.001 0.000 0.333 22 F C 0.010 175.805 175.800 -0.008 0.000 1.200 22 F CA -0.812 57.177 58.000 -0.018 0.000 1.128 22 F CB 0.174 39.153 39.000 -0.036 0.000 1.172 22 F HN 0.084 nan 8.300 nan 0.000 0.511 23 A N 0.299 123.187 122.820 0.113 0.000 2.549 23 A HA 0.817 5.138 4.320 0.001 0.000 0.297 23 A C -0.388 177.204 177.584 0.013 0.000 1.061 23 A CA -0.538 51.545 52.037 0.077 0.000 0.690 23 A CB 0.952 19.990 19.000 0.063 0.000 1.287 23 A HN 0.274 nan 8.150 nan 0.000 0.402 24 G N -0.019 108.791 108.800 0.018 0.000 2.356 24 G HA2 0.560 4.520 3.960 0.001 0.000 0.322 24 G HA3 0.560 4.520 3.960 0.001 0.000 0.322 24 G C -0.938 173.885 174.900 -0.128 0.000 1.125 24 G CA -0.406 44.630 45.100 -0.106 0.000 0.885 24 G HN 0.941 nan 8.290 nan 0.000 0.467 25 V N 2.345 122.092 119.914 -0.277 0.000 2.398 25 V HA 0.432 4.552 4.120 0.001 0.000 0.286 25 V C -0.969 174.931 176.094 -0.322 0.000 1.026 25 V CA -0.620 61.576 62.300 -0.172 0.000 0.868 25 V CB 0.541 32.296 31.823 -0.113 0.000 0.982 25 V HN 0.658 nan 8.190 nan 0.000 0.443 26 Y N 2.657 122.925 120.300 -0.053 0.000 2.446 26 Y HA 0.577 5.127 4.550 0.001 0.000 0.345 26 Y C 0.469 176.345 175.900 -0.040 0.000 0.984 26 Y CA -0.882 57.193 58.100 -0.041 0.000 1.058 26 Y CB 1.577 40.012 38.460 -0.040 0.000 1.220 26 Y HN 0.523 nan 8.280 nan 0.000 0.455 27 R N 1.931 122.508 120.500 0.128 0.000 2.537 27 R HA 0.657 4.997 4.340 0.001 0.000 0.280 27 R C -1.014 175.348 176.300 0.102 0.000 1.058 27 R CA 0.131 56.280 56.100 0.081 0.000 1.057 27 R CB 0.202 30.541 30.300 0.065 0.000 0.973 27 R HN 0.857 nan 8.270 nan 0.000 0.438 28 A N 3.259 126.131 122.820 0.086 0.000 2.609 28 A HA 0.341 4.662 4.320 0.001 0.000 0.291 28 A C -1.617 176.060 177.584 0.155 0.000 1.096 28 A CA -0.787 51.316 52.037 0.111 0.000 0.684 28 A CB 1.709 20.754 19.000 0.074 0.000 1.282 28 A HN 0.778 nan 8.150 nan 0.000 0.412 29 E N 0.564 120.877 120.200 0.188 0.000 2.187 29 E HA 0.499 4.849 4.350 0.001 0.000 0.268 29 E C -0.555 176.191 176.600 0.242 0.000 0.896 29 E CA -0.360 56.146 56.400 0.177 0.000 0.766 29 E CB 1.528 31.284 29.700 0.094 0.000 1.142 29 E HN 0.695 nan 8.360 nan 0.000 0.408 30 S N 4.745 120.565 115.700 0.199 0.000 2.481 30 S HA 0.119 4.590 4.470 0.001 0.000 0.276 30 S C 1.256 175.770 174.600 -0.144 0.000 1.247 30 S CA -0.368 57.808 58.200 -0.040 0.000 1.053 30 S CB 0.186 63.383 63.200 -0.004 0.000 0.925 30 S HN 0.623 nan 8.310 nan 0.000 0.491 31 I N 4.077 124.465 120.570 -0.304 0.000 2.252 31 I HA -0.141 4.029 4.170 0.001 0.000 0.245 31 I C 1.947 177.896 176.117 -0.280 0.000 1.102 31 I CA 1.412 62.529 61.300 -0.305 0.000 1.385 31 I CB -0.352 37.382 38.000 -0.444 0.000 1.064 31 I HN 0.803 nan 8.210 nan 0.000 0.414 32 H N -1.535 117.434 119.070 -0.170 0.000 2.495 32 H HA -0.063 4.493 4.556 0.001 0.000 0.287 32 H C 2.001 177.270 175.328 -0.097 0.000 1.033 32 H CA 1.257 57.227 56.048 -0.130 0.000 1.307 32 H CB 0.292 29.965 29.762 -0.149 0.000 1.401 32 H HN 0.133 nan 8.280 nan 0.000 0.555 33 T N -2.116 112.437 114.554 -0.002 0.000 2.959 33 T HA 0.227 4.578 4.350 0.001 0.000 0.254 33 T C 1.666 176.359 174.700 -0.012 0.000 1.003 33 T CA 0.701 62.794 62.100 -0.011 0.000 0.950 33 T CB 0.168 69.018 68.868 -0.030 0.000 1.090 33 T HN 0.608 nan 8.240 nan 0.000 0.503 34 G N 1.454 110.246 108.800 -0.014 0.000 2.234 34 G HA2 -0.224 3.736 3.960 0.001 0.000 0.260 34 G HA3 -0.224 3.736 3.960 0.001 0.000 0.260 34 G C 0.108 175.023 174.900 0.026 0.000 0.987 34 G CA 0.477 45.579 45.100 0.003 0.000 0.625 34 G HN 0.668 nan 8.290 nan 0.000 0.532 35 L N 1.498 122.737 121.223 0.026 0.000 2.416 35 L HA 0.694 5.034 4.340 0.001 0.000 0.272 35 L C 0.583 177.512 176.870 0.098 0.000 1.161 35 L CA -0.332 54.535 54.840 0.045 0.000 0.845 35 L CB 0.847 42.902 42.059 -0.006 0.000 1.119 35 L HN 0.296 nan 8.230 nan 0.000 0.464 36 E N 3.788 124.057 120.200 0.115 0.000 2.360 36 E HA 0.451 4.802 4.350 0.001 0.000 0.269 36 E C -0.947 175.748 176.600 0.158 0.000 1.022 36 E CA -0.388 56.093 56.400 0.135 0.000 0.887 36 E CB 0.853 30.641 29.700 0.146 0.000 0.990 36 E HN 0.622 nan 8.360 nan 0.000 0.426 37 V N 0.208 120.215 119.914 0.154 0.000 3.130 37 V HA 0.877 4.998 4.120 0.001 0.000 0.310 37 V C -0.935 175.195 176.094 0.060 0.000 1.158 37 V CA -0.859 61.540 62.300 0.165 0.000 1.029 37 V CB 1.604 33.569 31.823 0.236 0.000 1.057 37 V HN 0.715 nan 8.190 nan 0.000 0.436 38 A N 2.638 125.472 122.820 0.024 0.000 2.271 38 A HA 0.856 5.176 4.320 0.001 0.000 0.317 38 A C -0.498 177.065 177.584 -0.035 0.000 1.245 38 A CA -0.595 51.434 52.037 -0.013 0.000 0.857 38 A CB 0.305 19.283 19.000 -0.037 0.000 1.175 38 A HN 0.865 nan 8.150 nan 0.000 0.512 39 I N 2.730 123.282 120.570 -0.030 0.000 2.312 39 I HA 0.234 4.405 4.170 0.001 0.000 0.290 39 I C 0.458 176.596 176.117 0.035 0.000 1.008 39 I CA -0.330 60.935 61.300 -0.059 0.000 1.226 39 I CB 1.409 39.322 38.000 -0.143 0.000 1.371 39 I HN 0.615 nan 8.210 nan 0.000 0.468 40 K N 8.040 128.436 120.400 -0.007 0.000 2.276 40 K HA 0.444 4.765 4.320 0.001 0.000 0.285 40 K C -0.776 175.813 176.600 -0.019 0.000 1.062 40 K CA -0.417 55.871 56.287 0.003 0.000 0.918 40 K CB 0.691 33.179 32.500 -0.018 0.000 1.055 40 K HN 0.603 nan 8.250 nan 0.000 0.477 41 M N 6.595 126.189 119.600 -0.009 0.000 2.080 41 M HA 0.307 4.788 4.480 0.001 0.000 0.350 41 M C -0.434 175.836 176.300 -0.050 0.000 1.143 41 M CA -0.448 54.745 55.300 -0.177 0.000 1.064 41 M CB 0.850 33.228 32.600 -0.370 0.000 1.429 41 M HN 0.364 nan 8.290 nan 0.000 0.418 42 I N 2.592 123.138 120.570 -0.040 0.000 2.352 42 I HA 0.076 4.247 4.170 0.001 0.000 0.290 42 I C 0.540 176.729 176.117 0.120 0.000 1.036 42 I CA -0.327 60.993 61.300 0.034 0.000 1.336 42 I CB 0.526 38.501 38.000 -0.043 0.000 1.407 42 I HN 0.583 nan 8.210 nan 0.000 0.497 43 D N 7.771 128.268 120.400 0.160 0.000 2.344 43 D HA 0.013 4.654 4.640 0.001 0.000 0.253 43 D C 0.888 177.135 176.300 -0.089 0.000 1.255 43 D CA -0.001 54.046 54.000 0.079 0.000 0.894 43 D CB 0.936 41.821 40.800 0.142 0.000 1.067 43 D HN 0.501 nan 8.370 nan 0.000 0.492 44 K N 3.319 123.597 120.400 -0.204 0.000 2.147 44 K HA -0.157 4.164 4.320 0.001 0.000 0.205 44 K C 1.881 178.349 176.600 -0.220 0.000 1.049 44 K CA 0.624 56.729 56.287 -0.303 0.000 0.936 44 K CB 0.179 32.548 32.500 -0.218 0.000 0.722 44 K HN 0.411 nan 8.250 nan 0.000 0.446 45 K N 1.208 121.577 120.400 -0.051 0.000 2.009 45 K HA -0.167 4.153 4.320 0.001 0.000 0.210 45 K C 2.132 178.763 176.600 0.051 0.000 1.049 45 K CA 1.537 57.861 56.287 0.062 0.000 0.929 45 K CB -0.155 32.360 32.500 0.025 0.000 0.714 45 K HN 0.083 nan 8.250 nan 0.000 0.440 46 A N 1.860 124.702 122.820 0.037 0.000 1.902 46 A HA -0.209 4.111 4.320 0.001 0.000 0.217 46 A C 2.211 179.793 177.584 -0.004 0.000 1.181 46 A CA 1.852 53.953 52.037 0.106 0.000 0.623 46 A CB -0.585 18.550 19.000 0.225 0.000 0.818 46 A HN 0.593 nan 8.150 nan 0.000 0.443 47 M N -1.428 118.054 119.600 -0.197 0.000 2.080 47 M HA -0.224 4.257 4.480 0.001 0.000 0.260 47 M C 2.077 178.184 176.300 -0.322 0.000 1.068 47 M CA 2.102 57.134 55.300 -0.446 0.000 1.109 47 M CB -0.367 31.917 32.600 -0.527 0.000 1.342 47 M HN 0.540 nan 8.290 nan 0.000 0.405 48 Y N 0.103 120.338 120.300 -0.108 0.000 2.200 48 Y HA -0.204 4.346 4.550 0.001 0.000 0.290 48 Y C 2.638 178.506 175.900 -0.054 0.000 1.137 48 Y CA 1.276 59.330 58.100 -0.077 0.000 1.163 48 Y CB -0.447 37.980 38.460 -0.055 0.000 0.988 48 Y HN 0.244 nan 8.280 nan 0.000 0.518 49 K N 0.710 121.182 120.400 0.121 0.000 2.074 49 K HA -0.202 4.118 4.320 0.001 0.000 0.209 49 K C 1.917 178.554 176.600 0.062 0.000 1.048 49 K CA 1.421 57.758 56.287 0.085 0.000 0.926 49 K CB -0.298 32.254 32.500 0.088 0.000 0.713 49 K HN 0.303 nan 8.250 nan 0.000 0.444 50 A N -0.062 122.778 122.820 0.034 0.000 2.251 50 A HA 0.205 4.526 4.320 0.001 0.000 0.209 50 A C 0.993 178.554 177.584 -0.039 0.000 1.187 50 A CA 0.796 52.851 52.037 0.030 0.000 0.823 50 A CB -0.171 18.901 19.000 0.119 0.000 0.846 50 A HN 0.489 nan 8.150 nan 0.000 0.486 51 G N -0.833 107.944 108.800 -0.039 0.000 2.273 51 G HA2 -0.229 3.732 3.960 0.001 0.000 0.280 51 G HA3 -0.229 3.732 3.960 0.001 0.000 0.280 51 G C 0.397 175.237 174.900 -0.099 0.000 1.047 51 G CA 0.581 45.660 45.100 -0.034 0.000 0.869 51 G HN 0.260 nan 8.290 nan 0.000 0.502 52 M N -0.072 119.402 119.600 -0.210 0.000 2.475 52 M HA 0.203 4.684 4.480 0.001 0.000 0.261 52 M C 2.183 178.338 176.300 -0.241 0.000 1.177 52 M CA -0.044 55.080 55.300 -0.293 0.000 0.979 52 M CB 0.099 32.329 32.600 -0.616 0.000 1.482 52 M HN 0.148 nan 8.290 nan 0.000 0.484 53 V N 0.467 120.285 119.914 -0.160 0.000 2.343 53 V HA -0.268 3.853 4.120 0.001 0.000 0.247 53 V C 2.244 178.282 176.094 -0.092 0.000 1.051 53 V CA 1.733 63.956 62.300 -0.129 0.000 1.036 53 V CB -0.582 31.237 31.823 -0.006 0.000 0.654 53 V HN 0.524 nan 8.190 nan 0.000 0.451 54 Q N -0.440 119.321 119.800 -0.066 0.000 2.167 54 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 54 Q C 2.472 178.434 176.000 -0.063 0.000 0.970 54 Q CA 1.226 56.999 55.803 -0.050 0.000 0.855 54 Q CB -0.233 28.485 28.738 -0.033 0.000 0.911 54 Q HN 0.563 nan 8.270 nan 0.000 0.438 55 R N 0.672 121.121 120.500 -0.085 0.000 2.075 55 R HA -0.115 4.226 4.340 0.001 0.000 0.232 55 R C 2.039 178.289 176.300 -0.083 0.000 1.126 55 R CA 1.187 57.238 56.100 -0.082 0.000 0.963 55 R CB -0.067 30.174 30.300 -0.099 0.000 0.858 55 R HN 0.088 nan 8.270 nan 0.000 0.435 56 V N 1.440 121.285 119.914 -0.115 0.000 2.358 56 V HA -0.231 3.890 4.120 0.001 0.000 0.246 56 V C 2.395 178.434 176.094 -0.093 0.000 1.047 56 V CA 1.845 64.079 62.300 -0.110 0.000 1.035 56 V CB -0.524 31.209 31.823 -0.151 0.000 0.658 56 V HN 0.430 nan 8.190 nan 0.000 0.452 57 Q N -0.056 119.695 119.800 -0.082 0.000 2.050 57 Q HA -0.249 4.091 4.340 0.001 0.000 0.202 57 Q C 2.252 178.212 176.000 -0.066 0.000 0.980 57 Q CA 1.917 57.678 55.803 -0.069 0.000 0.840 57 Q CB -0.331 28.382 28.738 -0.042 0.000 0.898 57 Q HN 0.652 nan 8.270 nan 0.000 0.424 58 N N 0.776 119.446 118.700 -0.050 0.000 2.120 58 N HA -0.231 4.509 4.740 0.001 0.000 0.188 58 N C 1.593 177.090 175.510 -0.021 0.000 1.024 58 N CA 1.672 54.702 53.050 -0.034 0.000 0.852 58 N CB -0.028 38.441 38.487 -0.029 0.000 1.003 58 N HN 0.211 nan 8.380 nan 0.000 0.424 59 E N -0.149 120.041 120.200 -0.015 0.000 2.072 59 E HA -0.076 4.274 4.350 0.001 0.000 0.191 59 E C 1.762 178.377 176.600 0.025 0.000 0.985 59 E CA 1.190 57.616 56.400 0.043 0.000 0.801 59 E CB -0.558 29.169 29.700 0.046 0.000 0.750 59 E HN 0.182 nan 8.360 nan 0.000 0.452 60 V N 0.439 120.292 119.914 -0.103 0.000 2.379 60 V HA -0.212 3.909 4.120 0.001 0.000 0.245 60 V C 2.500 178.463 176.094 -0.218 0.000 1.044 60 V CA 1.839 63.973 62.300 -0.276 0.000 1.036 60 V CB -0.634 30.889 31.823 -0.501 0.000 0.664 60 V HN 0.311 nan 8.190 nan 0.000 0.453 61 K N -0.070 120.251 120.400 -0.132 0.000 2.009 61 K HA -0.130 4.191 4.320 0.001 0.000 0.210 61 K C 1.930 178.499 176.600 -0.052 0.000 1.049 61 K CA 1.886 58.128 56.287 -0.076 0.000 0.929 61 K CB -0.575 31.897 32.500 -0.047 0.000 0.714 61 K HN 0.594 nan 8.250 nan 0.000 0.440 62 I N -0.641 119.901 120.570 -0.047 0.000 2.163 62 I HA -0.178 3.993 4.170 0.001 0.000 0.240 62 I C 2.750 178.793 176.117 -0.122 0.000 1.081 62 I CA 2.096 63.345 61.300 -0.085 0.000 1.353 62 I CB -0.508 37.446 38.000 -0.076 0.000 1.054 62 I HN 0.503 nan 8.210 nan 0.000 0.407 63 H N 0.388 119.340 119.070 -0.196 0.000 2.387 63 H HA -0.227 4.329 4.556 0.001 0.000 0.299 63 H C 2.479 177.726 175.328 -0.136 0.000 1.090 63 H CA 1.535 57.450 56.048 -0.222 0.000 1.332 63 H CB 0.179 29.930 29.762 -0.018 0.000 1.386 63 H HN 0.626 nan 8.280 nan 0.000 0.516 64 C N 0.325 119.639 119.300 0.022 0.000 2.491 64 C HA 0.058 4.519 4.460 0.001 0.000 0.277 64 C C 1.898 176.923 174.990 0.058 0.000 1.455 64 C CA 0.113 59.154 59.018 0.039 0.000 1.758 64 C CB -0.732 27.056 27.740 0.079 0.000 1.745 64 C HN 0.585 nan 8.230 nan 0.000 0.558 65 Q N 0.318 120.132 119.800 0.023 0.000 2.360 65 Q HA 0.380 4.720 4.340 0.001 0.000 0.202 65 Q C 0.005 176.023 176.000 0.029 0.000 0.915 65 Q CA 0.216 56.035 55.803 0.026 0.000 0.943 65 Q CB 0.271 29.012 28.738 0.004 0.000 1.064 65 Q HN 0.681 nan 8.270 nan 0.000 0.511 66 L N 1.113 122.350 121.223 0.024 0.000 2.307 66 L HA 0.488 4.829 4.340 0.001 0.000 0.284 66 L C -0.395 176.496 176.870 0.035 0.000 1.023 66 L CA -0.545 54.323 54.840 0.047 0.000 0.810 66 L CB 1.429 43.444 42.059 -0.074 0.000 1.231 66 L HN -0.149 nan 8.230 nan 0.000 0.423 67 K N 3.789 124.181 120.400 -0.014 0.000 2.637 67 K HA 0.422 4.742 4.320 0.001 0.000 0.248 67 K C -1.663 174.737 176.600 -0.333 0.000 0.971 67 K CA -0.553 55.680 56.287 -0.090 0.000 0.858 67 K CB 1.146 33.654 32.500 0.013 0.000 1.170 67 K HN 0.671 nan 8.250 nan 0.000 0.443 68 H N 4.764 123.569 119.070 -0.442 0.000 3.140 68 H HA 0.148 4.705 4.556 0.001 0.000 0.336 68 H C -2.529 172.657 175.328 -0.237 0.000 1.142 68 H CA -1.123 54.623 56.048 -0.503 0.000 1.308 68 H CB 2.339 31.478 29.762 -1.039 0.000 1.970 68 H HN 0.367 nan 8.280 nan 0.000 0.521 69 P HA -0.026 nan 4.420 nan 0.000 0.228 69 P C 0.712 177.994 177.300 -0.030 0.000 1.151 69 P CA 0.681 63.672 63.100 -0.182 0.000 0.770 69 P CB 0.334 31.906 31.700 -0.213 0.000 0.786 70 S N -0.727 115.061 115.700 0.145 0.000 2.575 70 S HA 0.202 4.673 4.470 0.001 0.000 0.215 70 S C 0.854 175.518 174.600 0.106 0.000 0.966 70 S CA -0.021 58.270 58.200 0.153 0.000 0.911 70 S CB -0.227 63.091 63.200 0.197 0.000 0.780 70 S HN 0.128 nan 8.310 nan 0.000 0.514 71 I N 1.798 122.431 120.570 0.104 0.000 2.436 71 I HA 0.302 4.472 4.170 0.001 0.000 0.289 71 I C -0.619 175.570 176.117 0.119 0.000 1.010 71 I CA -1.005 60.361 61.300 0.110 0.000 1.098 71 I CB 1.724 39.770 38.000 0.077 0.000 1.266 71 I HN 0.010 nan 8.210 nan 0.000 0.434 72 L N 6.739 128.055 121.223 0.155 0.000 2.640 72 L HA -0.011 4.329 4.340 0.001 0.000 0.280 72 L C 0.399 177.423 176.870 0.256 0.000 1.229 72 L CA 1.036 55.976 54.840 0.166 0.000 0.919 72 L CB -0.060 42.108 42.059 0.182 0.000 1.168 72 L HN 0.550 nan 8.230 nan 0.000 0.496 73 E N 3.786 123.993 120.200 0.013 0.000 2.313 73 E HA 0.223 4.573 4.350 0.001 0.000 0.276 73 E C -1.006 175.344 176.600 -0.417 0.000 1.031 73 E CA -0.718 55.606 56.400 -0.127 0.000 0.857 73 E CB 1.370 30.977 29.700 -0.156 0.000 1.040 73 E HN 0.490 nan 8.360 nan 0.000 0.408 74 L N 4.892 125.866 121.223 -0.415 0.000 2.283 74 L HA 0.195 4.536 4.340 0.001 0.000 0.281 74 L C -0.389 176.402 176.870 -0.132 0.000 1.033 74 L CA 0.140 54.700 54.840 -0.466 0.000 0.848 74 L CB 0.132 41.781 42.059 -0.683 0.000 1.226 74 L HN 0.649 nan 8.230 nan 0.000 0.429 75 Y N 2.874 123.187 120.300 0.022 0.000 2.220 75 Y HA 0.073 4.623 4.550 0.001 0.000 0.291 75 Y C 1.217 177.185 175.900 0.114 0.000 1.129 75 Y CA 0.223 58.370 58.100 0.077 0.000 1.161 75 Y CB 0.322 38.844 38.460 0.104 0.000 0.997 75 Y HN 0.683 nan 8.280 nan 0.000 0.522 76 N N -1.734 117.144 118.700 0.297 0.000 3.185 76 N HA 0.167 4.907 4.740 0.001 0.000 0.238 76 N C -2.113 173.556 175.510 0.266 0.000 1.451 76 N CA -0.806 52.388 53.050 0.240 0.000 0.888 76 N CB 1.348 40.002 38.487 0.279 0.000 1.413 76 N HN 0.030 nan 8.380 nan 0.000 0.511 77 Y N -0.586 119.806 120.300 0.155 0.000 2.552 77 Y HA 0.790 5.341 4.550 0.001 0.000 0.337 77 Y C -1.223 174.779 175.900 0.170 0.000 1.094 77 Y CA -1.286 56.812 58.100 -0.004 0.000 1.028 77 Y CB 0.748 39.194 38.460 -0.023 0.000 1.321 77 Y HN 0.450 nan 8.280 nan 0.000 0.456 78 F N -0.797 119.311 119.950 0.264 0.000 2.817 78 F HA 0.819 5.346 4.527 0.001 0.000 0.317 78 F C -1.512 174.496 175.800 0.347 0.000 1.168 78 F CA -1.267 56.858 58.000 0.209 0.000 0.911 78 F CB 1.917 40.986 39.000 0.115 0.000 1.337 78 F HN 0.706 nan 8.300 nan 0.000 0.464 79 E N 0.076 120.594 120.200 0.529 0.000 2.383 79 E HA 0.573 4.924 4.350 0.001 0.000 0.275 79 E C -2.119 174.751 176.600 0.449 0.000 0.918 79 E CA -0.891 55.762 56.400 0.423 0.000 0.764 79 E CB 2.972 32.807 29.700 0.224 0.000 1.252 79 E HN 0.677 nan 8.360 nan 0.000 0.449 80 D N 0.698 121.356 120.400 0.430 0.000 2.668 80 D HA 0.171 4.811 4.640 0.001 0.000 0.249 80 D C 0.899 177.301 176.300 0.170 0.000 1.150 80 D CA -0.109 54.078 54.000 0.310 0.000 1.090 80 D CB 0.257 41.289 40.800 0.388 0.000 1.244 80 D HN 0.373 nan 8.370 nan 0.000 0.636 81 S N -1.269 114.502 115.700 0.118 0.000 2.481 81 S HA -0.066 4.404 4.470 0.001 0.000 0.231 81 S C 0.915 175.502 174.600 -0.021 0.000 0.996 81 S CA 0.557 58.791 58.200 0.056 0.000 0.942 81 S CB -0.475 62.752 63.200 0.046 0.000 0.768 81 S HN 0.431 nan 8.310 nan 0.000 0.520 82 N N -0.185 118.452 118.700 -0.105 0.000 2.463 82 N HA 0.263 5.003 4.740 0.001 0.000 0.183 82 N C -0.774 174.293 175.510 -0.738 0.000 1.064 82 N CA 0.453 53.242 53.050 -0.435 0.000 0.879 82 N CB 0.350 38.484 38.487 -0.589 0.000 1.148 82 N HN 0.475 nan 8.380 nan 0.000 0.451 83 Y N -0.479 119.725 120.300 -0.160 0.000 2.524 83 Y HA 0.432 4.983 4.550 0.001 0.000 0.347 83 Y C -0.145 175.512 175.900 -0.405 0.000 1.005 83 Y CA -1.374 56.489 58.100 -0.395 0.000 1.025 83 Y CB 1.972 39.938 38.460 -0.822 0.000 1.275 83 Y HN -0.301 nan 8.280 nan 0.000 0.460 84 V N 1.895 121.700 119.914 -0.183 0.000 2.481 84 V HA 0.529 4.650 4.120 0.001 0.000 0.286 84 V C -1.658 174.249 176.094 -0.312 0.000 1.042 84 V CA -0.596 61.604 62.300 -0.167 0.000 0.928 84 V CB 0.555 32.339 31.823 -0.064 0.000 0.986 84 V HN 0.660 nan 8.190 nan 0.000 0.462 85 Y N 5.841 125.993 120.300 -0.246 0.000 2.328 85 Y HA 0.647 5.198 4.550 0.001 0.000 0.337 85 Y C 0.096 175.729 175.900 -0.444 0.000 0.966 85 Y CA -0.766 57.056 58.100 -0.464 0.000 1.136 85 Y CB 1.753 39.622 38.460 -0.984 0.000 1.170 85 Y HN 0.554 nan 8.280 nan 0.000 0.470 86 L N 4.696 125.840 121.223 -0.131 0.000 2.287 86 L HA 0.534 4.875 4.340 0.001 0.000 0.287 86 L C -0.754 176.047 176.870 -0.114 0.000 1.022 86 L CA -1.120 53.665 54.840 -0.092 0.000 0.814 86 L CB 1.280 43.299 42.059 -0.066 0.000 1.217 86 L HN 0.333 nan 8.230 nan 0.000 0.420 87 V N 5.500 125.370 119.914 -0.074 0.000 2.368 87 V HA 0.360 4.480 4.120 0.001 0.000 0.266 87 V C 0.250 176.324 176.094 -0.033 0.000 1.045 87 V CA -0.149 62.129 62.300 -0.036 0.000 0.899 87 V CB 1.113 33.007 31.823 0.117 0.000 1.006 87 V HN 0.530 nan 8.190 nan 0.000 0.470 88 L N 3.260 124.429 121.223 -0.090 0.000 2.330 88 L HA 0.545 4.885 4.340 0.001 0.000 0.271 88 L C 0.456 177.174 176.870 -0.255 0.000 1.013 88 L CA -0.704 53.995 54.840 -0.236 0.000 0.816 88 L CB 2.021 44.003 42.059 -0.128 0.000 1.287 88 L HN 0.593 nan 8.230 nan 0.000 0.435 89 E N 2.131 122.037 120.200 -0.489 0.000 2.465 89 E HA -0.024 4.326 4.350 0.001 0.000 0.260 89 E C -0.517 176.064 176.600 -0.031 0.000 0.980 89 E CA -0.367 55.926 56.400 -0.178 0.000 0.927 89 E CB 0.675 30.280 29.700 -0.158 0.000 0.934 89 E HN 0.292 nan 8.360 nan 0.000 0.459 90 M N 4.677 124.296 119.600 0.031 0.000 2.162 90 M HA 0.151 4.631 4.480 0.001 0.000 0.356 90 M C -1.269 174.967 176.300 -0.108 0.000 1.303 90 M CA -0.368 54.879 55.300 -0.088 0.000 1.116 90 M CB 0.324 32.821 32.600 -0.171 0.000 1.632 90 M HN 0.588 nan 8.290 nan 0.000 0.469 91 C N 5.153 124.382 119.300 -0.117 0.000 2.362 91 C HA 0.296 4.757 4.460 0.001 0.000 0.309 91 C C 1.341 176.310 174.990 -0.035 0.000 1.110 91 C CA -0.688 58.312 59.018 -0.031 0.000 1.485 91 C CB -0.973 26.761 27.740 -0.009 0.000 1.949 91 C HN 0.924 nan 8.230 nan 0.000 0.419 92 H N 0.665 119.758 119.070 0.038 0.000 2.387 92 H HA -0.096 4.460 4.556 0.001 0.000 0.299 92 H C 1.790 177.152 175.328 0.057 0.000 1.099 92 H CA 1.569 57.647 56.048 0.049 0.000 1.315 92 H CB 0.110 29.906 29.762 0.057 0.000 1.380 92 H HN 0.524 nan 8.280 nan 0.000 0.513 93 N N 0.591 119.391 118.700 0.166 0.000 2.461 93 N HA 0.051 4.791 4.740 0.001 0.000 0.188 93 N C 0.967 176.545 175.510 0.114 0.000 1.134 93 N CA 0.817 53.952 53.050 0.143 0.000 0.878 93 N CB 0.305 38.804 38.487 0.019 0.000 0.972 93 N HN 0.497 nan 8.380 nan 0.000 0.456 94 G N 1.399 110.234 108.800 0.059 0.000 2.601 94 G HA2 -0.328 3.633 3.960 0.001 0.000 0.261 94 G HA3 -0.328 3.633 3.960 0.001 0.000 0.261 94 G C -0.326 174.583 174.900 0.015 0.000 1.289 94 G CA -0.255 44.866 45.100 0.035 0.000 0.920 94 G HN 0.362 nan 8.290 nan 0.000 0.571 95 E N -0.207 120.005 120.200 0.021 0.000 2.384 95 E HA 0.247 4.597 4.350 0.001 0.000 0.266 95 E C 1.628 178.247 176.600 0.032 0.000 1.012 95 E CA 0.041 56.444 56.400 0.005 0.000 0.901 95 E CB 0.693 30.395 29.700 0.002 0.000 0.967 95 E HN 0.523 nan 8.360 nan 0.000 0.435 96 M N 5.095 124.685 119.600 -0.018 0.000 2.132 96 M HA -0.153 4.327 4.480 0.001 0.000 0.263 96 M C 1.445 177.789 176.300 0.074 0.000 1.065 96 M CA 1.716 57.006 55.300 -0.015 0.000 1.122 96 M CB -0.631 31.890 32.600 -0.131 0.000 1.365 96 M HN 0.554 nan 8.290 nan 0.000 0.411 97 N N 0.273 118.997 118.700 0.039 0.000 2.043 97 N HA -0.213 4.527 4.740 0.001 0.000 0.193 97 N C 1.936 177.483 175.510 0.062 0.000 1.037 97 N CA 1.846 54.925 53.050 0.048 0.000 0.851 97 N CB -0.299 38.201 38.487 0.022 0.000 1.027 97 N HN 0.457 nan 8.380 nan 0.000 0.422 98 R N -1.084 119.452 120.500 0.061 0.000 2.073 98 R HA -0.145 4.196 4.340 0.001 0.000 0.234 98 R C 2.199 178.545 176.300 0.077 0.000 1.134 98 R CA 1.343 57.474 56.100 0.051 0.000 0.952 98 R CB -0.652 29.674 30.300 0.043 0.000 0.850 98 R HN 0.351 nan 8.270 nan 0.000 0.433 99 Y N 0.399 120.703 120.300 0.007 0.000 2.165 99 Y HA -0.262 4.289 4.550 0.001 0.000 0.286 99 Y C 1.869 177.773 175.900 0.006 0.000 1.155 99 Y CA 1.979 60.094 58.100 0.025 0.000 1.164 99 Y CB -0.188 38.308 38.460 0.060 0.000 0.978 99 Y HN 0.205 nan 8.280 nan 0.000 0.513 100 L N 0.192 121.531 121.223 0.194 0.000 2.072 100 L HA -0.090 4.250 4.340 0.001 0.000 0.205 100 L C 2.469 179.306 176.870 -0.055 0.000 1.079 100 L CA 1.813 56.681 54.840 0.047 0.000 0.752 100 L CB -0.927 41.203 42.059 0.119 0.000 0.906 100 L HN -0.072 nan 8.230 nan 0.000 0.436 101 K N -0.159 120.229 120.400 -0.019 0.000 2.160 101 K HA -0.104 4.217 4.320 0.001 0.000 0.206 101 K C 1.580 178.136 176.600 -0.073 0.000 1.047 101 K CA 1.495 57.760 56.287 -0.037 0.000 0.930 101 K CB -0.771 31.720 32.500 -0.015 0.000 0.720 101 K HN 0.605 nan 8.250 nan 0.000 0.450 102 N N 0.076 118.711 118.700 -0.108 0.000 2.270 102 N HA 0.118 4.858 4.740 0.001 0.000 0.198 102 N C 0.300 175.691 175.510 -0.198 0.000 1.117 102 N CA 0.121 53.086 53.050 -0.141 0.000 0.845 102 N CB 0.188 38.587 38.487 -0.146 0.000 0.980 102 N HN 0.264 nan 8.380 nan 0.000 0.486 103 R N -0.310 120.057 120.500 -0.221 0.000 2.543 103 R HA 0.248 4.589 4.340 0.001 0.000 0.268 103 R C 1.111 177.310 176.300 -0.168 0.000 1.067 103 R CA -0.357 55.598 56.100 -0.242 0.000 1.142 103 R CB 1.260 31.371 30.300 -0.315 0.000 1.110 103 R HN -0.159 nan 8.270 nan 0.000 0.549 104 V N 1.487 121.313 119.914 -0.147 0.000 2.535 104 V HA -0.085 4.036 4.120 0.001 0.000 0.246 104 V C 0.191 176.220 176.094 -0.110 0.000 1.045 104 V CA 1.536 63.771 62.300 -0.109 0.000 1.058 104 V CB -0.150 31.620 31.823 -0.087 0.000 0.689 104 V HN 0.709 nan 8.190 nan 0.000 0.461 105 K N 0.412 120.734 120.400 -0.130 0.000 2.395 105 K HA 0.590 4.911 4.320 0.001 0.000 0.245 105 K C -2.840 173.650 176.600 -0.184 0.000 1.017 105 K CA -2.035 54.176 56.287 -0.126 0.000 0.852 105 K CB 1.071 33.513 32.500 -0.097 0.000 1.311 105 K HN -0.168 nan 8.250 nan 0.000 0.452 106 P HA 0.127 nan 4.420 nan 0.000 0.286 106 P C -0.757 176.444 177.300 -0.165 0.000 1.293 106 P CA -0.421 62.567 63.100 -0.187 0.000 0.770 106 P CB 0.281 31.943 31.700 -0.062 0.000 1.206 107 F N -0.414 119.603 119.950 0.113 0.000 2.406 107 F HA 0.165 4.692 4.527 0.001 0.000 0.327 107 F C 1.798 177.663 175.800 0.108 0.000 1.153 107 F CA 0.175 58.269 58.000 0.156 0.000 1.218 107 F CB 0.064 39.228 39.000 0.274 0.000 1.215 107 F HN 0.234 nan 8.300 nan 0.000 0.570 108 S N 0.550 116.444 115.700 0.323 0.000 2.608 108 S HA 0.136 4.606 4.470 0.001 0.000 0.261 108 S C 0.904 175.642 174.600 0.231 0.000 1.314 108 S CA -0.581 57.744 58.200 0.208 0.000 0.992 108 S CB 0.772 64.059 63.200 0.146 0.000 0.935 108 S HN 0.716 nan 8.310 nan 0.000 0.564 109 E N 0.926 121.258 120.200 0.220 0.000 2.110 109 E HA -0.168 4.183 4.350 0.001 0.000 0.193 109 E C 1.625 178.401 176.600 0.293 0.000 0.988 109 E CA 1.106 57.709 56.400 0.339 0.000 0.804 109 E CB -0.269 29.654 29.700 0.372 0.000 0.745 109 E HN 0.600 nan 8.360 nan 0.000 0.458 110 N N 1.118 119.896 118.700 0.131 0.000 2.104 110 N HA -0.169 4.572 4.740 0.001 0.000 0.190 110 N C 1.581 177.082 175.510 -0.016 0.000 1.024 110 N CA 1.115 54.178 53.050 0.022 0.000 0.853 110 N CB -0.179 38.300 38.487 -0.013 0.000 1.008 110 N HN 0.310 nan 8.380 nan 0.000 0.424 111 E N 0.577 120.771 120.200 -0.009 0.000 2.072 111 E HA -0.022 4.328 4.350 0.001 0.000 0.191 111 E C 1.968 178.379 176.600 -0.315 0.000 0.985 111 E CA 1.055 57.326 56.400 -0.215 0.000 0.801 111 E CB -0.097 29.576 29.700 -0.044 0.000 0.750 111 E HN 0.343 nan 8.360 nan 0.000 0.452 112 A N 1.592 124.466 122.820 0.091 0.000 1.930 112 A HA -0.203 4.117 4.320 0.001 0.000 0.217 112 A C 2.101 179.899 177.584 0.355 0.000 1.175 112 A CA 1.539 53.763 52.037 0.312 0.000 0.627 112 A CB -0.464 18.815 19.000 0.464 0.000 0.815 112 A HN 0.095 nan 8.150 nan 0.000 0.443 113 R N -1.018 119.695 120.500 0.356 0.000 2.083 113 R HA -0.257 4.083 4.340 0.001 0.000 0.237 113 R C 2.168 178.532 176.300 0.106 0.000 1.137 113 R CA 2.231 58.474 56.100 0.238 0.000 0.951 113 R CB -0.556 29.695 30.300 -0.082 0.000 0.851 113 R HN 0.746 nan 8.270 nan 0.000 0.434 114 H N -0.628 118.371 119.070 -0.118 0.000 2.321 114 H HA -0.123 4.433 4.556 0.001 0.000 0.300 114 H C 1.507 176.784 175.328 -0.085 0.000 1.087 114 H CA 2.320 58.263 56.048 -0.174 0.000 1.319 114 H CB -0.213 29.337 29.762 -0.353 0.000 1.379 114 H HN 0.204 nan 8.280 nan 0.000 0.501 115 F N -0.396 119.516 119.950 -0.063 0.000 2.146 115 F HA -0.096 4.432 4.527 0.001 0.000 0.298 115 F C 2.584 178.331 175.800 -0.089 0.000 1.096 115 F CA 1.184 59.094 58.000 -0.150 0.000 1.275 115 F CB -0.840 38.079 39.000 -0.135 0.000 1.008 115 F HN 0.271 nan 8.300 nan 0.000 0.480 116 M N -0.534 119.174 119.600 0.180 0.000 2.117 116 M HA -0.211 4.270 4.480 0.001 0.000 0.262 116 M C 2.286 178.610 176.300 0.040 0.000 1.065 116 M CA 1.713 57.067 55.300 0.091 0.000 1.114 116 M CB -0.711 31.932 32.600 0.072 0.000 1.361 116 M HN 0.206 nan 8.290 nan 0.000 0.408 117 H N -0.438 118.617 119.070 -0.025 0.000 2.353 117 H HA -0.174 4.382 4.556 0.001 0.000 0.298 117 H C 1.880 177.194 175.328 -0.023 0.000 1.103 117 H CA 2.496 58.526 56.048 -0.031 0.000 1.293 117 H CB -0.043 29.692 29.762 -0.045 0.000 1.372 117 H HN 0.552 nan 8.280 nan 0.000 0.501 118 Q N -0.317 119.433 119.800 -0.083 0.000 2.046 118 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 118 Q C 2.572 178.532 176.000 -0.067 0.000 0.975 118 Q CA 1.710 57.460 55.803 -0.088 0.000 0.836 118 Q CB 0.014 28.712 28.738 -0.066 0.000 0.896 118 Q HN 0.529 nan 8.270 nan 0.000 0.428 119 I N 0.521 121.063 120.570 -0.047 0.000 2.163 119 I HA -0.310 3.861 4.170 0.001 0.000 0.243 119 I C 2.200 178.275 176.117 -0.071 0.000 1.085 119 I CA 1.224 62.493 61.300 -0.051 0.000 1.347 119 I CB -0.292 37.688 38.000 -0.033 0.000 1.044 119 I HN 0.182 nan 8.210 nan 0.000 0.408 120 I N 0.610 121.127 120.570 -0.088 0.000 2.163 120 I HA -0.322 3.849 4.170 0.001 0.000 0.243 120 I C 2.808 178.866 176.117 -0.098 0.000 1.085 120 I CA 2.165 63.411 61.300 -0.090 0.000 1.347 120 I CB -0.674 37.271 38.000 -0.091 0.000 1.044 120 I HN 0.414 nan 8.210 nan 0.000 0.408 121 T N -1.475 112.988 114.554 -0.152 0.000 2.788 121 T HA -0.080 4.271 4.350 0.001 0.000 0.268 121 T C 2.003 176.600 174.700 -0.171 0.000 1.044 121 T CA 1.093 63.137 62.100 -0.094 0.000 1.139 121 T CB -1.152 67.678 68.868 -0.063 0.000 0.867 121 T HN 0.434 nan 8.240 nan 0.000 0.454 122 G N 1.492 110.196 108.800 -0.160 0.000 2.421 122 G HA2 -0.097 3.863 3.960 0.001 0.000 0.216 122 G HA3 -0.097 3.863 3.960 0.001 0.000 0.216 122 G C 1.660 176.504 174.900 -0.094 0.000 1.171 122 G CA 0.888 45.850 45.100 -0.229 0.000 0.775 122 G HN 0.520 nan 8.290 nan 0.000 0.543 123 M N -0.065 119.507 119.600 -0.047 0.000 2.213 123 M HA 0.102 4.582 4.480 0.001 0.000 0.263 123 M C 2.495 178.821 176.300 0.044 0.000 1.062 123 M CA 0.897 56.200 55.300 0.005 0.000 1.105 123 M CB -0.317 32.274 32.600 -0.015 0.000 1.385 123 M HN 0.127 nan 8.290 nan 0.000 0.417 124 L N -1.477 119.759 121.223 0.022 0.000 2.072 124 L HA -0.195 4.146 4.340 0.001 0.000 0.205 124 L C 2.580 179.520 176.870 0.116 0.000 1.079 124 L CA 1.172 56.056 54.840 0.073 0.000 0.752 124 L CB -0.715 41.375 42.059 0.052 0.000 0.906 124 L HN 0.219 nan 8.230 nan 0.000 0.436 125 Y N 0.417 120.660 120.300 -0.094 0.000 2.097 125 Y HA -0.319 4.232 4.550 0.001 0.000 0.282 125 Y C 2.345 178.277 175.900 0.054 0.000 1.152 125 Y CA 1.639 59.698 58.100 -0.068 0.000 1.136 125 Y CB -0.108 38.097 38.460 -0.425 0.000 0.975 125 Y HN -0.033 nan 8.280 nan 0.000 0.498 126 L N 0.203 121.487 121.223 0.102 0.000 2.046 126 L HA -0.259 4.082 4.340 0.001 0.000 0.208 126 L C 2.649 179.548 176.870 0.048 0.000 1.077 126 L CA 2.234 57.113 54.840 0.065 0.000 0.747 126 L CB -1.823 40.337 42.059 0.170 0.000 0.896 126 L HN 0.499 nan 8.230 nan 0.000 0.432 127 H N -0.574 118.497 119.070 0.002 0.000 2.290 127 H HA -0.163 4.394 4.556 0.001 0.000 0.298 127 H C 2.258 177.557 175.328 -0.047 0.000 1.087 127 H CA 2.071 58.113 56.048 -0.010 0.000 1.291 127 H CB 0.313 30.073 29.762 -0.003 0.000 1.369 127 H HN 0.431 nan 8.280 nan 0.000 0.492 128 S N -0.189 115.425 115.700 -0.145 0.000 2.447 128 S HA -0.124 4.346 4.470 0.001 0.000 0.233 128 S C 1.485 175.846 174.600 -0.398 0.000 1.006 128 S CA 0.761 58.797 58.200 -0.272 0.000 0.957 128 S CB -0.532 62.596 63.200 -0.120 0.000 0.773 128 S HN 0.589 nan 8.310 nan 0.000 0.507 129 H N 0.906 119.760 119.070 -0.360 0.000 2.524 129 H HA 0.292 4.848 4.556 0.001 0.000 0.280 129 H C 1.511 176.703 175.328 -0.227 0.000 1.018 129 H CA 0.206 56.056 56.048 -0.331 0.000 1.165 129 H CB -0.120 29.348 29.762 -0.490 0.000 1.411 129 H HN 0.633 nan 8.280 nan 0.000 0.569 130 G N 1.887 110.593 108.800 -0.156 0.000 2.221 130 G HA2 -0.237 3.724 3.960 0.001 0.000 0.265 130 G HA3 -0.237 3.724 3.960 0.001 0.000 0.265 130 G C -0.036 174.836 174.900 -0.046 0.000 1.041 130 G CA -0.079 44.951 45.100 -0.117 0.000 0.807 130 G HN 0.236 nan 8.290 nan 0.000 0.502 131 I N 0.724 121.287 120.570 -0.011 0.000 2.328 131 I HA 0.362 4.533 4.170 0.001 0.000 0.287 131 I C 0.702 176.874 176.117 0.092 0.000 1.012 131 I CA -1.151 60.170 61.300 0.036 0.000 1.195 131 I CB 1.184 39.208 38.000 0.040 0.000 1.350 131 I HN 0.004 nan 8.210 nan 0.000 0.464 132 L N 6.132 127.402 121.223 0.078 0.000 2.283 132 L HA 0.268 4.608 4.340 0.001 0.000 0.287 132 L C 0.476 177.417 176.870 0.118 0.000 1.073 132 L CA -0.233 54.666 54.840 0.098 0.000 0.822 132 L CB 0.154 42.248 42.059 0.057 0.000 1.186 132 L HN 0.464 nan 8.230 nan 0.000 0.436 133 H N 4.006 123.125 119.070 0.082 0.000 2.562 133 H HA 0.280 4.837 4.556 0.001 0.000 0.314 133 H C 0.186 175.528 175.328 0.023 0.000 1.079 133 H CA -0.405 55.678 56.048 0.059 0.000 1.349 133 H CB 0.988 30.782 29.762 0.053 0.000 1.432 133 H HN 0.703 nan 8.280 nan 0.000 0.479 134 R N 2.800 123.348 120.500 0.081 0.000 2.483 134 R HA 0.148 4.488 4.340 0.001 0.000 0.329 134 R C 0.504 176.917 176.300 0.188 0.000 0.961 134 R CA 0.501 56.657 56.100 0.094 0.000 1.041 134 R CB -2.017 28.294 30.300 0.019 0.000 0.930 134 R HN 0.932 nan 8.270 nan 0.000 0.413 135 D N 2.109 122.583 120.400 0.123 0.000 3.146 135 D HA 0.073 4.714 4.640 0.001 0.000 0.205 135 D C 0.510 176.849 176.300 0.065 0.000 1.060 135 D CA 0.996 55.054 54.000 0.096 0.000 0.765 135 D CB 0.094 40.947 40.800 0.088 0.000 1.160 135 D HN 0.708 nan 8.370 nan 0.000 0.523 136 L N 2.071 123.287 121.223 -0.012 0.000 2.380 136 L HA 0.505 4.846 4.340 0.001 0.000 0.273 136 L C 1.508 178.350 176.870 -0.047 0.000 1.138 136 L CA -0.346 54.431 54.840 -0.107 0.000 0.832 136 L CB 1.159 43.101 42.059 -0.195 0.000 1.124 136 L HN 0.835 nan 8.230 nan 0.000 0.454 137 T N -0.751 113.772 114.554 -0.052 0.000 2.940 137 T HA 0.324 4.674 4.350 0.001 0.000 0.288 137 T C 0.845 175.516 174.700 -0.048 0.000 1.045 137 T CA -0.941 61.143 62.100 -0.027 0.000 1.018 137 T CB 1.502 70.369 68.868 -0.003 0.000 1.151 137 T HN 0.235 nan 8.240 nan 0.000 0.529 138 L N 1.556 122.764 121.223 -0.026 0.000 2.127 138 L HA -0.043 4.297 4.340 0.001 0.000 0.211 138 L C 2.756 179.602 176.870 -0.039 0.000 1.089 138 L CA 2.287 57.108 54.840 -0.033 0.000 0.757 138 L CB -1.142 40.918 42.059 0.001 0.000 0.899 138 L HN 0.991 nan 8.230 nan 0.000 0.434 139 S N -2.071 113.612 115.700 -0.028 0.000 2.607 139 S HA -0.007 4.464 4.470 0.001 0.000 0.224 139 S C 1.427 175.998 174.600 -0.048 0.000 0.969 139 S CA 0.298 58.481 58.200 -0.029 0.000 0.927 139 S CB -0.394 62.797 63.200 -0.015 0.000 0.772 139 S HN 0.434 nan 8.310 nan 0.000 0.533 140 N N 1.099 119.756 118.700 -0.072 0.000 2.280 140 N HA 0.326 5.066 4.740 0.001 0.000 0.192 140 N C -0.422 175.008 175.510 -0.133 0.000 1.109 140 N CA 0.165 53.151 53.050 -0.106 0.000 0.855 140 N CB 0.246 38.648 38.487 -0.143 0.000 0.974 140 N HN 0.492 nan 8.380 nan 0.000 0.482 141 L N 1.041 122.197 121.223 -0.111 0.000 2.329 141 L HA 0.507 4.848 4.340 0.001 0.000 0.279 141 L C -0.174 176.638 176.870 -0.097 0.000 1.014 141 L CA -0.650 54.120 54.840 -0.116 0.000 0.814 141 L CB 1.881 43.859 42.059 -0.135 0.000 1.257 141 L HN -0.266 nan 8.230 nan 0.000 0.424 142 L N 3.361 124.533 121.223 -0.085 0.000 2.334 142 L HA 0.597 4.938 4.340 0.001 0.000 0.270 142 L C -0.576 176.241 176.870 -0.087 0.000 1.018 142 L CA -0.563 54.235 54.840 -0.069 0.000 0.811 142 L CB 2.131 44.165 42.059 -0.041 0.000 1.271 142 L HN 0.439 nan 8.230 nan 0.000 0.443 143 L N 0.711 121.881 121.223 -0.090 0.000 2.365 143 L HA 0.475 4.815 4.340 0.001 0.000 0.273 143 L C -0.038 176.820 176.870 -0.021 0.000 1.000 143 L CA -0.215 54.557 54.840 -0.113 0.000 0.819 143 L CB 2.318 44.214 42.059 -0.271 0.000 1.284 143 L HN 0.563 nan 8.230 nan 0.000 0.418 144 T N 0.525 115.096 114.554 0.029 0.000 2.881 144 T HA 0.063 4.414 4.350 0.001 0.000 0.278 144 T C 1.142 175.917 174.700 0.125 0.000 0.982 144 T CA -0.215 61.953 62.100 0.113 0.000 0.989 144 T CB 1.815 70.750 68.868 0.112 0.000 1.058 144 T HN 0.601 nan 8.240 nan 0.000 0.529 145 R N 1.523 122.130 120.500 0.179 0.000 2.117 145 R HA -0.052 4.289 4.340 0.001 0.000 0.243 145 R C 1.471 177.791 176.300 0.032 0.000 1.143 145 R CA 1.974 58.088 56.100 0.023 0.000 0.968 145 R CB -1.233 28.921 30.300 -0.243 0.000 0.863 145 R HN 0.668 nan 8.270 nan 0.000 0.444 146 N N 0.168 118.902 118.700 0.058 0.000 2.313 146 N HA 0.085 4.825 4.740 0.001 0.000 0.207 146 N C -0.095 175.476 175.510 0.100 0.000 1.141 146 N CA 0.614 53.700 53.050 0.061 0.000 0.830 146 N CB 0.460 38.983 38.487 0.059 0.000 1.008 146 N HN 0.253 nan 8.380 nan 0.000 0.481 147 M N -0.264 119.405 119.600 0.115 0.000 2.537 147 M HA -0.199 4.282 4.480 0.001 0.000 0.205 147 M C -1.024 175.481 176.300 0.342 0.000 0.450 147 M CA 0.565 55.980 55.300 0.193 0.000 0.553 147 M CB -2.452 30.264 32.600 0.193 0.000 2.046 147 M HN 0.095 nan 8.290 nan 0.000 0.797 148 N N 0.370 119.200 118.700 0.216 0.000 2.443 148 N HA 0.611 5.352 4.740 0.001 0.000 0.295 148 N C -0.020 175.539 175.510 0.082 0.000 1.076 148 N CA -0.542 52.613 53.050 0.176 0.000 0.919 148 N CB 1.626 40.186 38.487 0.122 0.000 1.176 148 N HN 0.329 nan 8.380 nan 0.000 0.487 149 I N 1.681 122.281 120.570 0.050 0.000 2.581 149 I HA 0.090 4.260 4.170 0.001 0.000 0.288 149 I C 0.157 176.267 176.117 -0.013 0.000 1.047 149 I CA -0.009 61.274 61.300 -0.029 0.000 1.374 149 I CB 0.561 38.529 38.000 -0.054 0.000 1.423 149 I HN 0.057 nan 8.210 nan 0.000 0.549 150 K N 7.500 127.882 120.400 -0.030 0.000 2.545 150 K HA 0.468 4.789 4.320 0.001 0.000 0.252 150 K C -0.838 175.742 176.600 -0.033 0.000 0.948 150 K CA -0.564 55.720 56.287 -0.006 0.000 0.827 150 K CB 1.782 34.290 32.500 0.013 0.000 1.128 150 K HN 0.458 nan 8.250 nan 0.000 0.429 151 I N 2.329 122.884 120.570 -0.024 0.000 2.618 151 I HA 0.096 4.267 4.170 0.001 0.000 0.284 151 I C 0.514 176.578 176.117 -0.089 0.000 1.146 151 I CA 0.299 61.549 61.300 -0.084 0.000 1.425 151 I CB 0.712 38.676 38.000 -0.059 0.000 1.383 151 I HN 0.600 nan 8.210 nan 0.000 0.562 152 A N 4.326 127.009 122.820 -0.227 0.000 2.479 152 A HA 0.628 4.948 4.320 0.001 0.000 0.296 152 A C -0.658 176.661 177.584 -0.441 0.000 1.121 152 A CA -0.521 51.374 52.037 -0.237 0.000 0.743 152 A CB 1.279 20.221 19.000 -0.095 0.000 1.323 152 A HN 0.708 nan 8.150 nan 0.000 0.415 153 D N -1.314 118.862 120.400 -0.374 0.000 4.621 153 D HA -0.149 4.492 4.640 0.001 0.000 0.241 153 D C -0.650 175.280 176.300 -0.616 0.000 1.065 153 D CA 0.848 54.656 54.000 -0.319 0.000 1.247 153 D CB -1.113 39.593 40.800 -0.157 0.000 0.793 153 D HN 0.445 nan 8.370 nan 0.000 0.391 154 F N 1.028 120.896 119.950 -0.137 0.000 2.641 154 F HA 0.352 4.880 4.527 0.001 0.000 0.302 154 F C 2.267 177.968 175.800 -0.166 0.000 1.098 154 F CA 0.056 57.934 58.000 -0.203 0.000 1.318 154 F CB 0.530 39.419 39.000 -0.184 0.000 1.035 154 F HN 0.414 nan 8.300 nan 0.000 0.551 155 G N 0.719 109.495 108.800 -0.041 0.000 2.469 155 G HA2 -0.204 3.757 3.960 0.001 0.000 0.220 155 G HA3 -0.204 3.757 3.960 0.001 0.000 0.220 155 G C 1.475 176.336 174.900 -0.066 0.000 1.136 155 G CA 0.763 45.841 45.100 -0.037 0.000 0.759 155 G HN 0.380 nan 8.290 nan 0.000 0.562 156 L N 0.455 121.604 121.223 -0.124 0.000 2.607 156 L HA 0.374 4.714 4.340 0.001 0.000 0.228 156 L C 1.660 178.445 176.870 -0.141 0.000 1.123 156 L CA -0.288 54.482 54.840 -0.117 0.000 0.890 156 L CB -0.214 41.778 42.059 -0.111 0.000 1.103 156 L HN 0.239 nan 8.230 nan 0.000 0.468 157 A N 0.220 122.940 122.820 -0.167 0.000 2.313 157 A HA 0.501 4.822 4.320 0.001 0.000 0.261 157 A C 0.113 177.677 177.584 -0.034 0.000 1.090 157 A CA 0.222 52.189 52.037 -0.116 0.000 0.807 157 A CB 0.412 19.404 19.000 -0.014 0.000 1.055 157 A HN 0.118 nan 8.150 nan 0.000 0.492 158 T N 0.935 115.483 114.554 -0.009 0.000 2.861 158 T HA 0.480 4.831 4.350 0.001 0.000 0.287 158 T C -0.569 174.131 174.700 0.001 0.000 1.003 158 T CA -0.284 61.812 62.100 -0.006 0.000 0.977 158 T CB 1.298 70.163 68.868 -0.005 0.000 0.996 158 T HN 0.690 nan 8.240 nan 0.000 0.448 159 Q N 3.524 123.319 119.800 -0.009 0.000 2.314 159 Q HA 0.632 4.973 4.340 0.001 0.000 0.259 159 Q C -1.024 174.965 176.000 -0.018 0.000 0.951 159 Q CA -0.873 54.920 55.803 -0.016 0.000 0.909 159 Q CB 0.443 29.168 28.738 -0.022 0.000 1.236 159 Q HN 0.617 nan 8.270 nan 0.000 0.444 160 L N 0.711 121.920 121.223 -0.023 0.000 2.332 160 L HA 1.032 5.373 4.340 0.001 0.000 0.269 160 L C -0.475 176.374 176.870 -0.035 0.000 1.016 160 L CA -0.617 54.207 54.840 -0.026 0.000 0.809 160 L CB 1.256 43.301 42.059 -0.024 0.000 1.280 160 L HN 0.582 nan 8.230 nan 0.000 0.447 190 E N 0.971 121.164 120.200 -0.012 0.000 2.077 190 E HA -0.224 4.127 4.350 0.001 0.000 0.193 190 E C 2.045 178.672 176.600 0.044 0.000 0.989 190 E CA 2.119 58.522 56.400 0.007 0.000 0.800 190 E CB -0.611 29.081 29.700 -0.013 0.000 0.746 190 E HN 0.620 nan 8.360 nan 0.000 0.452 191 S N -0.168 115.553 115.700 0.034 0.000 2.446 191 S HA -0.105 4.365 4.470 0.001 0.000 0.225 191 S C 1.747 176.423 174.600 0.127 0.000 1.016 191 S CA 1.010 59.254 58.200 0.072 0.000 0.943 191 S CB 0.022 63.233 63.200 0.018 0.000 0.786 191 S HN 0.497 nan 8.310 nan 0.000 0.508 192 D N 1.446 121.889 120.400 0.072 0.000 2.144 192 D HA -0.058 4.583 4.640 0.001 0.000 0.199 192 D C 2.028 178.361 176.300 0.055 0.000 0.984 192 D CA 1.179 55.211 54.000 0.054 0.000 0.834 192 D CB -0.097 40.715 40.800 0.021 0.000 0.955 192 D HN 0.303 nan 8.370 nan 0.000 0.465 193 V N 1.191 121.141 119.914 0.059 0.000 2.295 193 V HA -0.211 3.910 4.120 0.001 0.000 0.246 193 V C 2.206 178.364 176.094 0.106 0.000 1.049 193 V CA 1.418 63.751 62.300 0.055 0.000 1.024 193 V CB -0.515 31.336 31.823 0.046 0.000 0.648 193 V HN 0.436 nan 8.190 nan 0.000 0.447 194 W N 0.879 122.165 121.300 -0.023 0.000 2.355 194 W HA -0.202 4.459 4.660 0.001 0.000 0.309 194 W C 2.458 178.977 176.519 -0.001 0.000 1.206 194 W CA 2.028 59.367 57.345 -0.011 0.000 1.284 194 W CB -0.419 29.032 29.460 -0.015 0.000 1.145 194 W HN 0.328 nan 8.180 nan 0.000 0.502 195 S N 1.381 117.191 115.700 0.184 0.000 2.382 195 S HA -0.190 4.281 4.470 0.001 0.000 0.228 195 S C 1.946 176.535 174.600 -0.019 0.000 1.027 195 S CA 1.237 59.480 58.200 0.071 0.000 0.991 195 S CB -0.725 62.535 63.200 0.100 0.000 0.823 195 S HN 0.287 nan 8.310 nan 0.000 0.469 196 L N 1.190 122.405 121.223 -0.013 0.000 2.046 196 L HA -0.111 4.229 4.340 0.001 0.000 0.208 196 L C 2.487 179.337 176.870 -0.034 0.000 1.077 196 L CA 1.685 56.508 54.840 -0.029 0.000 0.747 196 L CB -1.203 40.830 42.059 -0.042 0.000 0.896 196 L HN 0.458 nan 8.230 nan 0.000 0.432 197 G N -0.934 107.804 108.800 -0.102 0.000 2.421 197 G HA2 -0.268 3.692 3.960 0.001 0.000 0.216 197 G HA3 -0.268 3.692 3.960 0.001 0.000 0.216 197 G C 1.634 176.426 174.900 -0.180 0.000 1.171 197 G CA 0.884 45.900 45.100 -0.139 0.000 0.775 197 G HN 0.479 nan 8.290 nan 0.000 0.543 198 C N 1.197 120.311 119.300 -0.310 0.000 2.413 198 C HA -0.075 4.386 4.460 0.001 0.000 0.276 198 C C 3.042 177.995 174.990 -0.062 0.000 1.248 198 C CA 1.454 60.321 59.018 -0.253 0.000 1.742 198 C CB -0.923 26.674 27.740 -0.237 0.000 2.017 198 C HN 0.682 nan 8.230 nan 0.000 0.481 199 M N -1.097 118.496 119.600 -0.011 0.000 2.349 199 M HA -0.000 4.481 4.480 0.001 0.000 0.266 199 M C 2.054 178.433 176.300 0.133 0.000 1.076 199 M CA 1.756 57.087 55.300 0.051 0.000 1.126 199 M CB -0.736 31.881 32.600 0.029 0.000 1.392 199 M HN 0.259 nan 8.290 nan 0.000 0.440 200 F N 1.034 120.960 119.950 -0.040 0.000 2.146 200 F HA -0.120 4.407 4.527 0.001 0.000 0.298 200 F C 2.185 177.962 175.800 -0.038 0.000 1.096 200 F CA 1.191 59.164 58.000 -0.045 0.000 1.275 200 F CB -0.930 37.999 39.000 -0.118 0.000 1.008 200 F HN 0.230 nan 8.300 nan 0.000 0.480 201 Y N 0.855 120.988 120.300 -0.278 0.000 2.114 201 Y HA -0.264 4.286 4.550 0.001 0.000 0.284 201 Y C 2.557 178.318 175.900 -0.232 0.000 1.143 201 Y CA 2.658 60.534 58.100 -0.373 0.000 1.135 201 Y CB -0.791 37.444 38.460 -0.374 0.000 0.980 201 Y HN 0.031 nan 8.280 nan 0.000 0.499 202 T N 1.300 115.931 114.554 0.129 0.000 2.699 202 T HA -0.245 4.105 4.350 0.001 0.000 0.268 202 T C 1.953 176.690 174.700 0.062 0.000 1.036 202 T CA 1.879 64.040 62.100 0.101 0.000 1.147 202 T CB -0.626 68.298 68.868 0.094 0.000 0.862 202 T HN 0.317 nan 8.240 nan 0.000 0.446 203 L N 0.052 121.333 121.223 0.097 0.000 2.079 203 L HA -0.053 4.288 4.340 0.001 0.000 0.210 203 L C 2.321 179.306 176.870 0.191 0.000 1.081 203 L CA 1.166 56.159 54.840 0.255 0.000 0.752 203 L CB -0.416 41.839 42.059 0.326 0.000 0.896 203 L HN 0.273 nan 8.230 nan 0.000 0.433 204 L N -1.320 119.863 121.223 -0.067 0.000 2.354 204 L HA -0.027 4.314 4.340 0.001 0.000 0.212 204 L C 1.915 178.703 176.870 -0.138 0.000 1.091 204 L CA 0.173 54.930 54.840 -0.138 0.000 0.828 204 L CB 0.135 41.944 42.059 -0.417 0.000 0.973 204 L HN 0.196 nan 8.230 nan 0.000 0.461 205 I N -1.110 119.336 120.570 -0.206 0.000 3.939 205 I HA 0.237 4.407 4.170 0.001 0.000 0.313 205 I C 1.762 177.851 176.117 -0.047 0.000 1.274 205 I CA 1.060 62.262 61.300 -0.163 0.000 1.301 205 I CB -0.543 37.223 38.000 -0.390 0.000 1.105 205 I HN 0.321 nan 8.210 nan 0.000 0.427 206 G N 2.546 111.332 108.800 -0.024 0.000 2.199 206 G HA2 -0.257 3.704 3.960 0.001 0.000 0.254 206 G HA3 -0.257 3.704 3.960 0.001 0.000 0.254 206 G C 0.445 175.360 174.900 0.024 0.000 0.982 206 G CA 0.360 45.454 45.100 -0.010 0.000 0.632 206 G HN 0.527 nan 8.290 nan 0.000 0.529 207 R N -0.765 119.773 120.500 0.063 0.000 2.774 207 R HA 0.670 5.010 4.340 0.001 0.000 0.272 207 R C -3.393 173.005 176.300 0.163 0.000 1.000 207 R CA -2.178 53.978 56.100 0.094 0.000 0.906 207 R CB 1.250 31.601 30.300 0.084 0.000 1.227 207 R HN 0.048 nan 8.270 nan 0.000 0.468 208 P HA 0.077 nan 4.420 nan 0.000 0.270 208 P C -1.858 175.339 177.300 -0.171 0.000 1.223 208 P CA -1.145 61.967 63.100 0.020 0.000 0.785 208 P CB 0.373 32.090 31.700 0.028 0.000 0.923 209 P HA -0.054 nan 4.420 nan 0.000 0.219 209 P C 0.018 176.800 177.300 -0.862 0.000 1.150 209 P CA 1.458 63.707 63.100 -1.418 0.000 0.814 209 P CB 0.126 30.698 31.700 -1.881 0.000 0.787 218 T N -0.397 114.164 114.554 0.010 0.000 3.007 218 T HA 0.029 4.379 4.350 0.001 0.000 0.270 218 T C 1.286 175.991 174.700 0.008 0.000 1.107 218 T CA 0.926 63.032 62.100 0.011 0.000 1.118 218 T CB 0.185 69.062 68.868 0.016 0.000 0.889 218 T HN 0.336 nan 8.240 nan 0.000 0.506 219 L N 0.372 121.600 121.223 0.008 0.000 3.168 219 L HA 0.401 4.742 4.340 0.001 0.000 0.277 219 L C 0.370 177.242 176.870 0.003 0.000 1.245 219 L CA -0.377 54.466 54.840 0.006 0.000 1.035 219 L CB -0.153 41.911 42.059 0.009 0.000 1.399 219 L HN -0.046 nan 8.230 nan 0.000 0.580 220 N N 0.088 118.787 118.700 -0.000 0.000 2.853 220 N HA -0.257 4.484 4.740 0.001 0.000 0.239 220 N C 0.214 175.721 175.510 -0.006 0.000 0.967 220 N CA 1.481 54.529 53.050 -0.004 0.000 0.973 220 N CB -0.710 37.774 38.487 -0.005 0.000 1.104 220 N HN 0.399 nan 8.380 nan 0.000 0.602 221 K N 0.595 120.994 120.400 -0.002 0.000 2.579 221 K HA 0.440 4.760 4.320 0.001 0.000 0.250 221 K C -1.188 175.413 176.600 0.002 0.000 0.952 221 K CA -0.404 55.882 56.287 -0.003 0.000 0.857 221 K CB 1.908 34.408 32.500 -0.001 0.000 1.123 221 K HN -0.169 nan 8.250 nan 0.000 0.433 222 V N 4.714 124.627 119.914 -0.002 0.000 2.320 222 V HA 0.194 4.315 4.120 0.001 0.000 0.265 222 V C 0.021 176.121 176.094 0.010 0.000 1.048 222 V CA -0.625 61.678 62.300 0.006 0.000 0.865 222 V CB 1.226 33.046 31.823 -0.005 0.000 1.043 222 V HN 0.437 nan 8.190 nan 0.000 0.474 223 V N 6.310 126.236 119.914 0.019 0.000 2.713 223 V HA 0.507 4.628 4.120 0.001 0.000 0.307 223 V C 0.525 176.642 176.094 0.038 0.000 1.052 223 V CA -0.700 61.614 62.300 0.022 0.000 0.967 223 V CB 1.755 33.588 31.823 0.017 0.000 1.019 223 V HN 0.837 nan 8.190 nan 0.000 0.459 224 L N 3.954 125.201 121.223 0.041 0.000 3.826 224 L HA -0.199 4.141 4.340 0.001 0.000 0.566 224 L C 0.753 177.684 176.870 0.102 0.000 1.217 224 L CA 0.508 55.382 54.840 0.058 0.000 0.823 224 L CB -0.585 41.499 42.059 0.042 0.000 1.381 224 L HN 0.870 nan 8.230 nan 0.000 0.825 225 A N 1.535 124.428 122.820 0.122 0.000 2.981 225 A HA 0.403 4.724 4.320 0.001 0.000 0.280 225 A C -0.027 177.797 177.584 0.399 0.000 1.797 225 A CA 0.187 52.353 52.037 0.215 0.000 1.456 225 A CB -0.297 18.753 19.000 0.083 0.000 1.057 225 A HN 0.525 nan 8.150 nan 0.000 0.602 226 D N 0.309 120.911 120.400 0.338 0.000 2.787 226 D HA 0.464 5.104 4.640 0.001 0.000 0.246 226 D C -0.413 175.878 176.300 -0.016 0.000 1.150 226 D CA -0.086 54.001 54.000 0.146 0.000 0.864 226 D CB 1.042 41.835 40.800 -0.011 0.000 1.481 226 D HN 0.511 nan 8.370 nan 0.000 0.509 227 Y N -0.549 119.576 120.300 -0.293 0.000 2.307 227 Y HA 0.549 5.100 4.550 0.001 0.000 0.324 227 Y C 0.345 176.131 175.900 -0.190 0.000 1.238 227 Y CA -0.929 56.878 58.100 -0.488 0.000 1.280 227 Y CB 0.728 38.615 38.460 -0.955 0.000 1.248 227 Y HN 0.192 nan 8.280 nan 0.000 0.508 228 E N 2.485 122.656 120.200 -0.049 0.000 2.249 228 E HA 0.242 4.592 4.350 0.001 0.000 0.280 228 E C -1.130 175.545 176.600 0.124 0.000 1.016 228 E CA -1.099 55.280 56.400 -0.036 0.000 0.830 228 E CB 1.030 30.733 29.700 0.005 0.000 1.081 228 E HN 0.760 nan 8.360 nan 0.000 0.395 229 M N 5.983 125.594 119.600 0.019 0.000 2.184 229 M HA 0.227 4.707 4.480 0.001 0.000 0.351 229 M C -2.343 173.918 176.300 -0.066 0.000 1.395 229 M CA -1.944 53.396 55.300 0.067 0.000 1.117 229 M CB 0.744 33.355 32.600 0.018 0.000 1.708 229 M HN 0.152 nan 8.290 nan 0.000 0.468 230 P HA 0.209 nan 4.420 nan 0.000 0.276 230 P C -0.138 176.831 177.300 -0.553 0.000 1.253 230 P CA -0.143 62.663 63.100 -0.490 0.000 0.766 230 P CB 0.481 31.649 31.700 -0.886 0.000 0.845 231 S N 2.374 117.871 115.700 -0.338 0.000 2.470 231 S HA -0.111 4.359 4.470 0.001 0.000 0.225 231 S C 1.414 175.931 174.600 -0.139 0.000 1.006 231 S CA 0.174 58.272 58.200 -0.169 0.000 0.934 231 S CB -1.123 62.060 63.200 -0.029 0.000 0.778 231 S HN 0.455 nan 8.310 nan 0.000 0.517 232 F N 0.698 120.630 119.950 -0.031 0.000 2.661 232 F HA 0.468 4.995 4.527 0.001 0.000 0.298 232 F C 0.456 176.242 175.800 -0.024 0.000 1.137 232 F CA -0.937 57.048 58.000 -0.025 0.000 1.454 232 F CB -0.703 38.279 39.000 -0.031 0.000 1.103 232 F HN 0.019 nan 8.300 nan 0.000 0.577 233 L N 1.526 122.518 121.223 -0.384 0.000 2.473 233 L HA 0.175 4.516 4.340 0.001 0.000 0.268 233 L C 1.004 177.847 176.870 -0.045 0.000 1.215 233 L CA -0.592 54.129 54.840 -0.199 0.000 0.823 233 L CB 0.663 42.509 42.059 -0.355 0.000 1.099 233 L HN 0.388 nan 8.230 nan 0.000 0.483 234 S N 2.121 117.846 115.700 0.042 0.000 2.576 234 S HA 0.091 4.562 4.470 0.001 0.000 0.272 234 S C 1.464 176.110 174.600 0.076 0.000 1.352 234 S CA -0.599 57.656 58.200 0.091 0.000 1.021 234 S CB 0.364 63.669 63.200 0.176 0.000 0.887 234 S HN 0.379 nan 8.310 nan 0.000 0.542 235 I N 1.592 122.212 120.570 0.084 0.000 2.264 235 I HA -0.149 4.022 4.170 0.001 0.000 0.248 235 I C 2.402 178.608 176.117 0.148 0.000 1.111 235 I CA 1.542 62.893 61.300 0.084 0.000 1.382 235 I CB -2.022 36.019 38.000 0.069 0.000 1.060 235 I HN 0.729 nan 8.210 nan 0.000 0.418 236 E N 1.269 121.603 120.200 0.223 0.000 2.051 236 E HA -0.143 4.207 4.350 0.001 0.000 0.192 236 E C 2.393 179.212 176.600 0.365 0.000 0.991 236 E CA 1.621 58.249 56.400 0.380 0.000 0.799 236 E CB -0.385 29.583 29.700 0.446 0.000 0.748 236 E HN 0.502 nan 8.360 nan 0.000 0.449 237 A N 1.303 124.259 122.820 0.227 0.000 1.877 237 A HA -0.241 4.080 4.320 0.001 0.000 0.216 237 A C 1.929 179.483 177.584 -0.048 0.000 1.186 237 A CA 1.665 53.633 52.037 -0.116 0.000 0.620 237 A CB -0.342 18.542 19.000 -0.192 0.000 0.822 237 A HN 0.067 nan 8.150 nan 0.000 0.443 238 K N -0.732 119.664 120.400 -0.007 0.000 2.097 238 K HA -0.181 4.139 4.320 0.001 0.000 0.206 238 K C 1.797 178.460 176.600 0.106 0.000 1.049 238 K CA 1.594 57.888 56.287 0.012 0.000 0.933 238 K CB -0.267 32.229 32.500 -0.006 0.000 0.717 238 K HN 0.621 nan 8.250 nan 0.000 0.442 239 D N 0.825 121.315 120.400 0.151 0.000 2.144 239 D HA -0.163 4.478 4.640 0.001 0.000 0.199 239 D C 1.837 178.272 176.300 0.225 0.000 0.984 239 D CA 0.531 54.675 54.000 0.241 0.000 0.834 239 D CB 0.118 41.098 40.800 0.301 0.000 0.955 239 D HN -0.031 nan 8.370 nan 0.000 0.465 240 L N 0.378 121.608 121.223 0.011 0.000 2.056 240 L HA 0.004 4.345 4.340 0.001 0.000 0.207 240 L C 1.976 178.809 176.870 -0.061 0.000 1.078 240 L CA 1.387 56.047 54.840 -0.300 0.000 0.749 240 L CB -0.561 41.124 42.059 -0.624 0.000 0.901 240 L HN 0.216 nan 8.230 nan 0.000 0.433 241 I N -0.909 119.702 120.570 0.070 0.000 2.127 241 I HA -0.379 3.792 4.170 0.001 0.000 0.241 241 I C 2.563 178.710 176.117 0.050 0.000 1.075 241 I CA 1.745 63.075 61.300 0.051 0.000 1.334 241 I CB -0.497 37.511 38.000 0.013 0.000 1.040 241 I HN 0.449 nan 8.210 nan 0.000 0.405 242 H N 1.037 120.160 119.070 0.088 0.000 2.352 242 H HA -0.197 4.360 4.556 0.001 0.000 0.299 242 H C 2.168 177.570 175.328 0.123 0.000 1.097 242 H CA 1.908 58.054 56.048 0.163 0.000 1.311 242 H CB -0.014 29.837 29.762 0.148 0.000 1.377 242 H HN 0.346 nan 8.280 nan 0.000 0.504 243 Q N -0.471 119.332 119.800 0.005 0.000 2.311 243 Q HA 0.005 4.345 4.340 0.001 0.000 0.203 243 Q C 2.217 178.195 176.000 -0.036 0.000 0.954 243 Q CA 0.849 56.628 55.803 -0.040 0.000 0.885 243 Q CB 0.340 29.132 28.738 0.090 0.000 0.963 243 Q HN 0.513 nan 8.270 nan 0.000 0.471 244 L N -0.236 120.958 121.223 -0.048 0.000 2.341 244 L HA -0.016 4.325 4.340 0.001 0.000 0.214 244 L C 1.579 178.437 176.870 -0.019 0.000 1.115 244 L CA 0.572 55.386 54.840 -0.043 0.000 0.820 244 L CB 0.171 42.178 42.059 -0.086 0.000 0.944 244 L HN 0.162 nan 8.230 nan 0.000 0.452 245 L N -0.653 120.535 121.223 -0.058 0.000 2.769 245 L HA 0.179 4.520 4.340 0.001 0.000 0.240 245 L C 0.466 177.490 176.870 0.257 0.000 1.163 245 L CA -0.400 54.426 54.840 -0.024 0.000 0.962 245 L CB -0.039 41.816 42.059 -0.340 0.000 1.258 245 L HN 0.099 nan 8.230 nan 0.000 0.513 246 R N 0.965 121.546 120.500 0.135 0.000 2.638 246 R HA 0.000 4.341 4.340 0.001 0.000 0.268 246 R C 1.647 178.082 176.300 0.225 0.000 1.006 246 R CA 0.644 56.811 56.100 0.113 0.000 1.088 246 R CB 0.181 30.485 30.300 0.005 0.000 0.950 246 R HN 0.245 nan 8.270 nan 0.000 0.419 247 R N 2.773 123.383 120.500 0.183 0.000 2.096 247 R HA -0.210 4.130 4.340 0.001 0.000 0.240 247 R C 1.021 177.338 176.300 0.029 0.000 1.139 247 R CA 2.164 58.338 56.100 0.124 0.000 0.952 247 R CB -1.110 29.243 30.300 0.089 0.000 0.854 247 R HN 0.809 nan 8.270 nan 0.000 0.436 248 N N -0.361 118.356 118.700 0.029 0.000 2.400 248 N HA 0.266 5.006 4.740 0.001 0.000 0.288 248 N C -2.215 173.300 175.510 0.009 0.000 1.024 248 N CA -2.298 50.750 53.050 -0.005 0.000 0.894 248 N CB 2.262 40.746 38.487 -0.005 0.000 1.173 248 N HN -0.114 nan 8.380 nan 0.000 0.487 249 P HA -0.147 nan 4.420 nan 0.000 0.218 249 P C 0.652 177.959 177.300 0.012 0.000 1.146 249 P CA 1.334 64.437 63.100 0.004 0.000 0.813 249 P CB 0.110 31.795 31.700 -0.025 0.000 0.778 250 A N -0.316 122.507 122.820 0.005 0.000 1.969 250 A HA -0.175 4.145 4.320 0.001 0.000 0.218 250 A C 1.942 179.537 177.584 0.017 0.000 1.169 250 A CA 1.645 53.687 52.037 0.009 0.000 0.635 250 A CB -1.139 17.864 19.000 0.005 0.000 0.810 250 A HN 0.077 nan 8.150 nan 0.000 0.445 251 D N -0.206 120.207 120.400 0.021 0.000 2.310 251 D HA -0.022 4.619 4.640 0.001 0.000 0.212 251 D C 0.754 177.068 176.300 0.023 0.000 0.965 251 D CA 0.455 54.470 54.000 0.025 0.000 0.879 251 D CB -0.084 40.731 40.800 0.025 0.000 0.921 251 D HN 0.421 nan 8.370 nan 0.000 0.510 252 R N 0.518 121.036 120.500 0.029 0.000 2.539 252 R HA 0.193 4.533 4.340 0.001 0.000 0.275 252 R C -0.018 176.300 176.300 0.029 0.000 1.077 252 R CA -0.956 55.163 56.100 0.032 0.000 1.097 252 R CB 0.803 31.138 30.300 0.057 0.000 1.018 252 R HN -0.038 nan 8.270 nan 0.000 0.483 253 L N 2.157 123.398 121.223 0.030 0.000 2.559 253 L HA -0.060 4.281 4.340 0.001 0.000 0.282 253 L C 0.241 177.121 176.870 0.017 0.000 1.232 253 L CA 0.793 55.654 54.840 0.034 0.000 0.885 253 L CB 0.600 42.684 42.059 0.041 0.000 1.131 253 L HN 0.748 nan 8.230 nan 0.000 0.498 254 S N 4.663 120.370 115.700 0.012 0.000 2.580 254 S HA 0.176 4.646 4.470 0.001 0.000 0.274 254 S C 1.387 175.977 174.600 -0.016 0.000 1.329 254 S CA -0.683 57.512 58.200 -0.009 0.000 1.036 254 S CB 0.652 63.846 63.200 -0.011 0.000 0.919 254 S HN 0.734 nan 8.310 nan 0.000 0.515 255 L N 2.209 123.406 121.223 -0.042 0.000 2.043 255 L HA -0.156 4.184 4.340 0.001 0.000 0.212 255 L C 2.748 179.603 176.870 -0.025 0.000 1.075 255 L CA 1.781 56.594 54.840 -0.045 0.000 0.752 255 L CB -0.825 41.186 42.059 -0.080 0.000 0.891 255 L HN 0.892 nan 8.230 nan 0.000 0.432 256 S N -0.993 114.694 115.700 -0.022 0.000 2.400 256 S HA -0.166 4.304 4.470 0.001 0.000 0.232 256 S C 1.981 176.594 174.600 0.021 0.000 1.025 256 S CA 1.533 59.736 58.200 0.004 0.000 0.993 256 S CB -0.004 63.200 63.200 0.007 0.000 0.808 256 S HN 0.432 nan 8.310 nan 0.000 0.478 257 S N 0.505 116.219 115.700 0.023 0.000 2.496 257 S HA 0.049 4.520 4.470 0.001 0.000 0.224 257 S C 1.857 176.495 174.600 0.064 0.000 0.996 257 S CA 0.270 58.496 58.200 0.043 0.000 0.927 257 S CB -0.026 63.202 63.200 0.046 0.000 0.774 257 S HN 0.335 nan 8.310 nan 0.000 0.524 258 V N 2.342 122.281 119.914 0.041 0.000 2.332 258 V HA -0.186 3.935 4.120 0.001 0.000 0.248 258 V C 2.091 178.229 176.094 0.072 0.000 1.055 258 V CA 1.542 63.865 62.300 0.038 0.000 1.038 258 V CB -0.744 31.061 31.823 -0.029 0.000 0.651 258 V HN 0.472 nan 8.190 nan 0.000 0.450 259 L N -0.078 121.184 121.223 0.064 0.000 2.265 259 L HA -0.172 4.168 4.340 0.001 0.000 0.215 259 L C 1.987 178.914 176.870 0.095 0.000 1.117 259 L CA 1.190 56.085 54.840 0.093 0.000 0.782 259 L CB -0.547 41.571 42.059 0.100 0.000 0.914 259 L HN 0.392 nan 8.230 nan 0.000 0.441 260 D N -2.395 118.059 120.400 0.090 0.000 2.333 260 D HA -0.058 4.582 4.640 0.001 0.000 0.208 260 D C 0.957 177.311 176.300 0.090 0.000 0.984 260 D CA 0.300 54.344 54.000 0.073 0.000 0.873 260 D CB -0.068 40.763 40.800 0.052 0.000 0.935 260 D HN 0.231 nan 8.370 nan 0.000 0.521 261 H N 2.319 121.413 119.070 0.041 0.000 2.928 261 H HA -0.016 4.541 4.556 0.001 0.000 0.338 261 H C -1.456 173.913 175.328 0.068 0.000 1.047 261 H CA -0.850 55.233 56.048 0.060 0.000 1.435 261 H CB 1.618 31.422 29.762 0.070 0.000 1.428 261 H HN -0.129 nan 8.280 nan 0.000 0.590 262 P HA -0.203 nan 4.420 nan 0.000 0.218 262 P C 1.543 178.967 177.300 0.206 0.000 1.146 262 P CA 0.997 64.096 63.100 -0.002 0.000 0.813 262 P CB -0.242 31.393 31.700 -0.109 0.000 0.778 263 F N 0.399 120.621 119.950 0.454 0.000 2.171 263 F HA -0.128 4.399 4.527 0.001 0.000 0.300 263 F C 1.997 177.873 175.800 0.127 0.000 1.090 263 F CA 1.472 59.626 58.000 0.257 0.000 1.293 263 F CB -0.440 38.670 39.000 0.183 0.000 1.013 263 F HN -0.255 nan 8.300 nan 0.000 0.486 264 M N -0.054 119.605 119.600 0.098 0.000 2.506 264 M HA 0.109 4.589 4.480 0.001 0.000 0.260 264 M C 0.528 176.773 176.300 -0.091 0.000 1.104 264 M CA 0.697 55.974 55.300 -0.039 0.000 1.112 264 M CB -1.279 31.376 32.600 0.091 0.000 1.401 264 M HN 0.281 nan 8.290 nan 0.000 0.473 265 S N 0.000 115.664 115.700 -0.059 0.000 2.498 265 S HA 0.000 4.471 4.470 0.001 0.000 0.327 265 S CA 0.000 58.167 58.200 -0.054 0.000 1.107 265 S CB 0.000 63.191 63.200 -0.014 0.000 0.593 265 S HN 0.000 nan 8.310 nan 0.000 0.517