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 2vat_1_D DATA FIRST_RESID 7 DATA SEQUENCE NRFEASLDAQ DIARISLFTL ESGVILRDVP VAYKSWGRMN VSRDNCVIVC DATA SEQUENCE HTLTSSAHVT SWWPTLFGQG RAFDTSRYFI ICLNYLGSPF GSAGPCSPDP DATA SEQUENCE DAEGQRPYGA KFPRTTIRDD VRIHRQVLDR LGVRQIAAVV GASMGGMHTL DATA SEQUENCE EWAFFGPEYV RKIVPIATSC RQSGWCAAWF ETQRQCIYDD PKYLDGEYDV DATA SEQUENCE DDQPVRGLET ARKIANLTYK SKPAMDERFH MXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXQPIEAVSS YLRYQAQKFA ASFDANCYIA MTLKFDTHDI DATA SEQUENCE SRGRAGSIPE ALAMITQPAL IICARSDGLY SFDEHVEMGR SIPNSRLCVV DATA SEQUENCE DTNEGHDFFV MEADKVNDAV RGFLDQ 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.482 175.510 -0.047 0.000 1.280 7 N CA 0.000 53.060 53.050 0.017 0.000 0.885 7 N CB 0.000 38.523 38.487 0.059 0.000 1.341 8 R N 1.628 122.005 120.500 -0.206 0.000 2.189 8 R HA 0.057 4.397 4.340 -0.000 0.000 0.223 8 R C 0.606 176.700 176.300 -0.343 0.000 1.092 8 R CA 1.085 56.992 56.100 -0.323 0.000 0.989 8 R CB -0.365 29.665 30.300 -0.449 0.000 0.876 8 R HN 0.301 nan 8.270 nan 0.000 0.457 9 F N 1.657 121.601 119.950 -0.010 0.000 2.128 9 F HA 0.008 4.535 4.527 -0.000 0.000 0.295 9 F C 2.665 178.590 175.800 0.208 0.000 1.100 9 F CA 1.299 59.335 58.000 0.060 0.000 1.260 9 F CB -0.411 38.463 39.000 -0.209 0.000 1.009 9 F HN 0.075 nan 8.300 nan 0.000 0.476 10 E N 0.722 121.095 120.200 0.288 0.000 2.110 10 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 10 E C 2.291 178.961 176.600 0.117 0.000 0.988 10 E CA 0.905 57.443 56.400 0.230 0.000 0.804 10 E CB -0.164 29.622 29.700 0.143 0.000 0.745 10 E HN 0.327 nan 8.360 nan 0.000 0.458 11 A N 0.846 123.697 122.820 0.053 0.000 2.070 11 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 11 A C 2.212 179.793 177.584 -0.005 0.000 1.159 11 A CA 1.669 53.709 52.037 0.005 0.000 0.656 11 A CB -0.530 18.452 19.000 -0.029 0.000 0.800 11 A HN 0.394 nan 8.150 nan 0.000 0.453 12 S N -0.859 114.851 115.700 0.016 0.000 2.561 12 S HA 0.224 4.694 4.470 -0.000 0.000 0.225 12 S C 0.598 175.171 174.600 -0.045 0.000 0.977 12 S CA -0.181 58.017 58.200 -0.004 0.000 0.926 12 S CB -0.585 62.634 63.200 0.031 0.000 0.769 12 S HN 0.381 nan 8.310 nan 0.000 0.533 13 L N 1.979 123.168 121.223 -0.056 0.000 2.421 13 L HA 0.413 4.753 4.340 -0.000 0.000 0.263 13 L C 0.158 176.901 176.870 -0.213 0.000 1.122 13 L CA -1.074 53.653 54.840 -0.189 0.000 0.804 13 L CB 0.312 42.280 42.059 -0.153 0.000 1.150 13 L HN 0.100 nan 8.230 nan 0.000 0.457 14 D N 0.641 120.816 120.400 -0.374 0.000 2.346 14 D HA 0.161 4.800 4.640 -0.000 0.000 0.236 14 D C 0.204 176.442 176.300 -0.104 0.000 1.259 14 D CA -0.022 53.832 54.000 -0.243 0.000 0.898 14 D CB 0.521 41.168 40.800 -0.255 0.000 1.178 14 D HN 0.607 nan 8.370 nan 0.000 0.457 15 A N 0.834 123.632 122.820 -0.036 0.000 2.540 15 A HA 0.301 4.621 4.320 -0.000 0.000 0.239 15 A C 0.378 177.975 177.584 0.022 0.000 1.061 15 A CA 0.270 52.295 52.037 -0.019 0.000 0.758 15 A CB -0.096 18.878 19.000 -0.044 0.000 0.991 15 A HN 0.529 nan 8.150 nan 0.000 0.502 16 Q N 1.086 120.855 119.800 -0.052 0.000 2.626 16 Q HA 0.587 4.927 4.340 -0.000 0.000 0.300 16 Q C -1.679 174.144 176.000 -0.294 0.000 0.988 16 Q CA -1.109 54.578 55.803 -0.193 0.000 0.761 16 Q CB 1.225 29.875 28.738 -0.147 0.000 1.494 16 Q HN 0.578 nan 8.270 nan 0.000 0.439 17 D N 0.512 120.573 120.400 -0.565 0.000 2.217 17 D HA 0.500 5.140 4.640 -0.000 0.000 0.248 17 D C -0.408 175.571 176.300 -0.536 0.000 1.008 17 D CA -0.298 53.312 54.000 -0.651 0.000 0.914 17 D CB 1.524 41.669 40.800 -1.091 0.000 1.182 17 D HN 0.353 nan 8.370 nan 0.000 0.451 18 I N 1.056 121.498 120.570 -0.213 0.000 2.436 18 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 18 I C 0.123 176.330 176.117 0.150 0.000 1.010 18 I CA -0.797 60.500 61.300 -0.004 0.000 1.098 18 I CB 1.102 39.111 38.000 0.015 0.000 1.266 18 I HN 0.262 nan 8.210 nan 0.000 0.434 19 A N 7.866 130.857 122.820 0.285 0.000 2.303 19 A HA 0.800 5.120 4.320 -0.000 0.000 0.317 19 A C -0.079 177.592 177.584 0.144 0.000 1.149 19 A CA -0.702 51.470 52.037 0.224 0.000 0.822 19 A CB 0.916 20.044 19.000 0.212 0.000 1.131 19 A HN 0.701 nan 8.150 nan 0.000 0.493 20 R N 2.201 122.768 120.500 0.112 0.000 2.437 20 R HA 0.478 4.818 4.340 -0.000 0.000 0.310 20 R C -1.325 175.032 176.300 0.095 0.000 0.955 20 R CA -0.659 55.501 56.100 0.100 0.000 0.851 20 R CB 1.337 31.689 30.300 0.087 0.000 1.161 20 R HN 0.514 nan 8.270 nan 0.000 0.446 21 I N 2.916 123.547 120.570 0.101 0.000 2.321 21 I HA 0.055 4.225 4.170 -0.000 0.000 0.291 21 I C 1.672 177.864 176.117 0.125 0.000 0.998 21 I CA -0.162 61.205 61.300 0.111 0.000 1.227 21 I CB 1.479 39.546 38.000 0.111 0.000 1.368 21 I HN 0.734 nan 8.210 nan 0.000 0.466 22 S N 6.904 122.671 115.700 0.111 0.000 2.387 22 S HA 0.123 4.593 4.470 -0.000 0.000 0.226 22 S C 0.605 175.274 174.600 0.114 0.000 1.026 22 S CA 0.438 58.698 58.200 0.100 0.000 0.972 22 S CB 0.045 63.290 63.200 0.075 0.000 0.814 22 S HN 0.551 nan 8.310 nan 0.000 0.477 23 L N 0.308 121.611 121.223 0.132 0.000 2.431 23 L HA 0.653 4.993 4.340 -0.000 0.000 0.266 23 L C -1.507 175.496 176.870 0.223 0.000 0.978 23 L CA -0.757 54.166 54.840 0.138 0.000 0.822 23 L CB 2.398 44.503 42.059 0.077 0.000 1.310 23 L HN 0.258 nan 8.230 nan 0.000 0.409 24 F N 1.018 120.992 119.950 0.040 0.000 2.585 24 F HA 0.423 4.949 4.527 -0.000 0.000 0.319 24 F C -0.340 175.465 175.800 0.008 0.000 1.165 24 F CA -0.253 57.765 58.000 0.030 0.000 0.949 24 F CB 1.979 41.007 39.000 0.046 0.000 1.218 24 F HN 0.287 nan 8.300 nan 0.000 0.453 25 T N 7.092 121.243 114.554 -0.672 0.000 2.727 25 T HA 0.403 4.753 4.350 -0.000 0.000 0.298 25 T C 0.245 174.591 174.700 -0.589 0.000 0.942 25 T CA -0.371 61.444 62.100 -0.476 0.000 0.997 25 T CB 0.249 68.925 68.868 -0.320 0.000 0.917 25 T HN 0.384 nan 8.240 nan 0.000 0.487 26 L N 3.226 124.291 121.223 -0.262 0.000 2.467 26 L HA 0.135 4.475 4.340 -0.000 0.000 0.270 26 L C 2.171 178.954 176.870 -0.146 0.000 1.205 26 L CA -0.293 54.473 54.840 -0.124 0.000 0.828 26 L CB 0.432 42.458 42.059 -0.055 0.000 1.101 26 L HN 0.760 nan 8.230 nan 0.000 0.479 27 E N 0.330 120.469 120.200 -0.102 0.000 2.401 27 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 27 E C 1.580 178.127 176.600 -0.088 0.000 1.023 27 E CA 1.154 57.493 56.400 -0.101 0.000 0.859 27 E CB 0.026 29.673 29.700 -0.089 0.000 0.780 27 E HN 0.744 nan 8.360 nan 0.000 0.523 28 S N -0.337 115.313 115.700 -0.082 0.000 2.481 28 S HA 0.117 4.587 4.470 -0.000 0.000 0.231 28 S C 1.790 176.345 174.600 -0.075 0.000 0.996 28 S CA 0.577 58.732 58.200 -0.074 0.000 0.942 28 S CB -0.115 63.041 63.200 -0.073 0.000 0.768 28 S HN 0.661 nan 8.310 nan 0.000 0.520 29 G N 0.077 108.823 108.800 -0.090 0.000 2.213 29 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.236 29 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.236 29 G C 0.081 174.933 174.900 -0.081 0.000 0.991 29 G CA -0.067 44.981 45.100 -0.086 0.000 0.629 29 G HN 0.732 nan 8.290 nan 0.000 0.517 30 V N 2.006 121.871 119.914 -0.081 0.000 2.655 30 V HA 0.393 4.513 4.120 -0.000 0.000 0.300 30 V C 1.003 177.054 176.094 -0.072 0.000 1.044 30 V CA 0.280 62.536 62.300 -0.074 0.000 1.095 30 V CB 1.274 33.042 31.823 -0.091 0.000 0.952 30 V HN 0.325 nan 8.190 nan 0.000 0.485 31 I N 5.766 126.310 120.570 -0.043 0.000 2.321 31 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 31 I C -0.165 175.971 176.117 0.031 0.000 0.998 31 I CA -0.213 61.076 61.300 -0.019 0.000 1.227 31 I CB 1.155 39.147 38.000 -0.015 0.000 1.368 31 I HN 0.387 nan 8.210 nan 0.000 0.466 32 L N 6.913 128.186 121.223 0.082 0.000 2.357 32 L HA 0.567 4.907 4.340 -0.000 0.000 0.273 32 L C 0.098 177.071 176.870 0.170 0.000 1.080 32 L CA -0.648 54.280 54.840 0.146 0.000 0.803 32 L CB 0.942 43.110 42.059 0.183 0.000 1.174 32 L HN 0.559 nan 8.230 nan 0.000 0.443 33 R N 1.328 121.937 120.500 0.181 0.000 2.803 33 R HA 0.316 4.656 4.340 -0.000 0.000 0.276 33 R C -1.116 175.280 176.300 0.159 0.000 0.978 33 R CA -0.986 55.202 56.100 0.146 0.000 0.939 33 R CB 1.573 31.936 30.300 0.105 0.000 1.179 33 R HN 0.610 nan 8.270 nan 0.000 0.472 34 D N 0.477 120.955 120.400 0.129 0.000 2.705 34 D HA -0.118 4.522 4.640 -0.000 0.000 0.240 34 D C -0.719 175.668 176.300 0.145 0.000 1.137 34 D CA 0.746 54.816 54.000 0.115 0.000 0.677 34 D CB -1.159 39.695 40.800 0.090 0.000 1.049 34 D HN 0.123 nan 8.370 nan 0.000 0.427 35 V N 1.401 121.408 119.914 0.155 0.000 2.348 35 V HA 0.304 4.424 4.120 -0.000 0.000 0.270 35 V C -1.527 174.649 176.094 0.137 0.000 1.037 35 V CA -1.255 61.148 62.300 0.173 0.000 0.872 35 V CB 1.339 33.262 31.823 0.166 0.000 1.002 35 V HN 0.036 nan 8.190 nan 0.000 0.464 36 P HA 0.253 nan 4.420 nan 0.000 0.275 36 P C -0.846 176.529 177.300 0.124 0.000 1.227 36 P CA -0.108 63.062 63.100 0.118 0.000 0.781 36 P CB 1.586 33.348 31.700 0.103 0.000 0.906 37 V N 2.747 122.745 119.914 0.141 0.000 2.443 37 V HA 0.510 4.630 4.120 -0.000 0.000 0.293 37 V C 0.493 176.708 176.094 0.201 0.000 1.021 37 V CA -0.903 61.500 62.300 0.173 0.000 0.848 37 V CB 1.220 33.152 31.823 0.183 0.000 0.998 37 V HN 0.716 nan 8.190 nan 0.000 0.424 38 A N 5.398 128.307 122.820 0.149 0.000 2.340 38 A HA 0.901 5.221 4.320 -0.000 0.000 0.268 38 A C -0.748 176.906 177.584 0.115 0.000 1.100 38 A CA -0.172 51.910 52.037 0.076 0.000 0.803 38 A CB 0.554 19.582 19.000 0.047 0.000 1.043 38 A HN 1.322 nan 8.150 nan 0.000 0.488 39 Y N -1.059 119.176 120.300 -0.109 0.000 2.656 39 Y HA 0.780 5.330 4.550 -0.000 0.000 0.334 39 Y C -1.001 174.718 175.900 -0.302 0.000 1.179 39 Y CA -1.529 56.455 58.100 -0.193 0.000 1.050 39 Y CB 1.272 39.633 38.460 -0.166 0.000 1.308 39 Y HN 0.594 nan 8.280 nan 0.000 0.456 40 K N 1.590 121.790 120.400 -0.334 0.000 2.482 40 K HA 0.740 5.060 4.320 -0.000 0.000 0.251 40 K C -1.484 174.637 176.600 -0.798 0.000 0.936 40 K CA -0.270 55.593 56.287 -0.707 0.000 0.791 40 K CB 2.053 33.941 32.500 -1.020 0.000 1.213 40 K HN 1.007 nan 8.250 nan 0.000 0.428 41 S N 2.792 118.002 115.700 -0.818 0.000 2.599 41 S HA 0.744 5.214 4.470 -0.000 0.000 0.294 41 S C -1.050 173.079 174.600 -0.784 0.000 1.094 41 S CA -0.891 56.886 58.200 -0.705 0.000 0.931 41 S CB 0.931 63.899 63.200 -0.388 0.000 1.093 41 S HN 0.543 nan 8.310 nan 0.000 0.488 42 W N 0.185 121.398 121.300 -0.146 0.000 3.032 42 W HA 0.575 5.235 4.660 -0.000 0.000 0.335 42 W C 0.584 177.133 176.519 0.050 0.000 1.154 42 W CA -0.049 57.293 57.345 -0.005 0.000 1.204 42 W CB 1.564 31.067 29.460 0.072 0.000 1.416 42 W HN 1.430 nan 8.180 nan 0.000 0.521 43 G N 1.866 110.860 108.800 0.324 0.000 2.693 43 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.226 43 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.226 43 G C -1.160 173.954 174.900 0.356 0.000 1.354 43 G CA -0.544 44.731 45.100 0.292 0.000 0.873 43 G HN 0.641 nan 8.290 nan 0.000 0.562 44 R N -0.942 119.750 120.500 0.320 0.000 2.621 44 R HA 0.591 4.931 4.340 -0.000 0.000 0.284 44 R C 0.514 176.905 176.300 0.151 0.000 0.998 44 R CA -0.986 55.246 56.100 0.221 0.000 0.895 44 R CB 1.011 31.374 30.300 0.105 0.000 1.195 44 R HN 0.647 nan 8.270 nan 0.000 0.450 45 M N 3.536 123.084 119.600 -0.087 0.000 2.249 45 M HA 0.021 4.501 4.480 -0.000 0.000 0.340 45 M C 0.465 176.736 176.300 -0.048 0.000 1.166 45 M CA 0.031 55.251 55.300 -0.133 0.000 1.115 45 M CB 0.374 32.760 32.600 -0.356 0.000 1.606 45 M HN 0.678 nan 8.290 nan 0.000 0.448 46 N N 2.217 120.909 118.700 -0.013 0.000 2.294 46 N HA 0.073 4.813 4.740 -0.000 0.000 0.248 46 N C 0.498 175.991 175.510 -0.029 0.000 1.300 46 N CA -0.588 52.453 53.050 -0.014 0.000 0.925 46 N CB 0.067 38.553 38.487 -0.002 0.000 1.188 46 N HN 0.423 nan 8.380 nan 0.000 0.512 47 V N -0.127 119.774 119.914 -0.021 0.000 2.343 47 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 47 V C 2.163 178.244 176.094 -0.021 0.000 1.051 47 V CA 2.168 64.454 62.300 -0.022 0.000 1.036 47 V CB -1.018 30.796 31.823 -0.015 0.000 0.654 47 V HN 0.738 nan 8.190 nan 0.000 0.451 48 S N -0.698 114.994 115.700 -0.013 0.000 2.474 48 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 48 S C 0.912 175.508 174.600 -0.008 0.000 0.997 48 S CA 0.271 58.468 58.200 -0.006 0.000 0.949 48 S CB -0.284 62.917 63.200 0.002 0.000 0.766 48 S HN 0.628 nan 8.310 nan 0.000 0.517 49 R N 1.216 121.703 120.500 -0.022 0.000 3.405 49 R HA -0.172 4.168 4.340 -0.000 0.000 0.258 49 R C -0.769 175.529 176.300 -0.004 0.000 1.030 49 R CA 0.998 57.076 56.100 -0.037 0.000 0.691 49 R CB -2.206 28.057 30.300 -0.061 0.000 1.093 49 R HN 0.588 nan 8.270 nan 0.000 0.448 50 D N -0.653 119.756 120.400 0.014 0.000 2.535 50 D HA -0.025 4.615 4.640 -0.000 0.000 0.229 50 D C 0.485 176.814 176.300 0.048 0.000 1.238 50 D CA -0.352 53.661 54.000 0.021 0.000 0.824 50 D CB -0.059 40.752 40.800 0.019 0.000 1.045 50 D HN 0.358 nan 8.370 nan 0.000 0.500 51 N N 0.299 119.055 118.700 0.093 0.000 2.380 51 N HA 0.038 4.778 4.740 -0.000 0.000 0.255 51 N C -0.564 175.090 175.510 0.240 0.000 1.158 51 N CA -0.584 52.584 53.050 0.197 0.000 0.878 51 N CB -0.712 37.890 38.487 0.192 0.000 1.138 51 N HN 0.143 nan 8.380 nan 0.000 0.509 52 C N 0.975 120.353 119.300 0.129 0.000 2.514 52 C HA 0.549 5.009 4.460 -0.000 0.000 0.392 52 C C 0.055 174.996 174.990 -0.082 0.000 1.294 52 C CA -0.268 58.824 59.018 0.124 0.000 1.957 52 C CB -0.396 27.414 27.740 0.116 0.000 2.541 52 C HN 0.256 nan 8.230 nan 0.000 0.569 53 V N 8.339 128.160 119.914 -0.154 0.000 2.409 53 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 53 V C 0.073 175.974 176.094 -0.322 0.000 1.020 53 V CA -0.248 61.873 62.300 -0.299 0.000 0.848 53 V CB 1.489 33.068 31.823 -0.406 0.000 0.990 53 V HN 0.752 nan 8.190 nan 0.000 0.430 54 I N 5.161 125.515 120.570 -0.360 0.000 2.353 54 I HA 0.421 4.591 4.170 -0.000 0.000 0.293 54 I C -0.377 175.558 176.117 -0.302 0.000 0.992 54 I CA -0.566 60.506 61.300 -0.380 0.000 1.268 54 I CB 1.713 39.337 38.000 -0.627 0.000 1.387 54 I HN 0.269 nan 8.210 nan 0.000 0.478 55 V N 5.580 125.347 119.914 -0.246 0.000 2.417 55 V HA 0.294 4.414 4.120 -0.000 0.000 0.291 55 V C -0.314 175.796 176.094 0.027 0.000 1.024 55 V CA -0.594 61.629 62.300 -0.129 0.000 0.861 55 V CB 1.440 33.103 31.823 -0.266 0.000 0.985 55 V HN 0.801 nan 8.190 nan 0.000 0.436 56 C N 5.125 124.502 119.300 0.128 0.000 2.273 56 C HA 0.614 5.074 4.460 -0.000 0.000 0.328 56 C C 0.583 175.687 174.990 0.190 0.000 1.275 56 C CA -0.770 58.343 59.018 0.158 0.000 1.704 56 C CB -0.513 27.396 27.740 0.281 0.000 2.326 56 C HN 1.088 nan 8.230 nan 0.000 0.517 57 H N 0.870 119.988 119.070 0.080 0.000 2.408 57 H HA 0.666 5.222 4.556 -0.000 0.000 0.345 57 H C 0.498 175.918 175.328 0.153 0.000 1.547 57 H CA -0.137 56.013 56.048 0.170 0.000 1.447 57 H CB 0.034 29.869 29.762 0.122 0.000 1.686 57 H HN 0.564 nan 8.280 nan 0.000 0.625 58 T N -2.005 112.718 114.554 0.283 0.000 2.923 58 T HA 0.191 4.541 4.350 -0.000 0.000 0.281 58 T C 1.250 176.133 174.700 0.306 0.000 0.995 58 T CA -0.511 61.652 62.100 0.105 0.000 0.985 58 T CB 1.086 69.800 68.868 -0.257 0.000 1.114 58 T HN 0.583 nan 8.240 nan 0.000 0.548 59 L N 1.273 122.608 121.223 0.187 0.000 2.010 59 L HA -0.102 4.238 4.340 -0.000 0.000 0.219 59 L C 2.260 179.287 176.870 0.261 0.000 1.077 59 L CA 2.948 57.892 54.840 0.173 0.000 0.773 59 L CB -1.092 41.047 42.059 0.134 0.000 0.892 59 L HN 1.077 nan 8.230 nan 0.000 0.436 60 T N -4.089 110.573 114.554 0.181 0.000 3.129 60 T HA 0.282 4.632 4.350 -0.000 0.000 0.267 60 T C 0.625 175.565 174.700 0.399 0.000 1.018 60 T CA 0.142 62.352 62.100 0.185 0.000 0.903 60 T CB -0.559 68.248 68.868 -0.100 0.000 1.067 60 T HN 0.500 nan 8.240 nan 0.000 0.549 61 S N 1.509 117.344 115.700 0.225 0.000 2.672 61 S HA 0.686 5.156 4.470 -0.000 0.000 0.276 61 S C 0.503 175.028 174.600 -0.125 0.000 1.207 61 S CA -0.226 57.993 58.200 0.031 0.000 1.002 61 S CB 1.514 64.633 63.200 -0.136 0.000 0.998 61 S HN 0.595 nan 8.310 nan 0.000 0.542 62 S N 0.917 116.390 115.700 -0.378 0.000 2.607 62 S HA 0.647 5.117 4.470 -0.000 0.000 0.272 62 S C 1.212 175.563 174.600 -0.415 0.000 1.166 62 S CA -0.379 57.567 58.200 -0.423 0.000 1.021 62 S CB 0.030 62.919 63.200 -0.518 0.000 1.113 62 S HN 1.412 nan 8.310 nan 0.000 0.531 63 A N -0.781 121.915 122.820 -0.207 0.000 2.208 63 A HA 0.180 4.500 4.320 -0.000 0.000 0.209 63 A C 0.464 178.014 177.584 -0.056 0.000 1.161 63 A CA 0.260 52.225 52.037 -0.119 0.000 0.782 63 A CB -1.065 17.847 19.000 -0.146 0.000 0.816 63 A HN 0.824 nan 8.150 nan 0.000 0.477 64 H N -0.046 119.048 119.070 0.040 0.000 3.198 64 H HA 0.259 4.815 4.556 -0.000 0.000 0.255 64 H C 1.239 176.622 175.328 0.093 0.000 1.729 64 H CA -0.005 56.118 56.048 0.125 0.000 1.495 64 H CB -0.095 29.678 29.762 0.017 0.000 1.807 64 H HN 0.082 nan 8.280 nan 0.000 0.554 65 V N 1.177 121.180 119.914 0.148 0.000 2.469 65 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 65 V C 2.338 178.156 176.094 -0.459 0.000 1.064 65 V CA 2.260 64.411 62.300 -0.249 0.000 1.066 65 V CB -0.748 31.051 31.823 -0.040 0.000 0.667 65 V HN 0.811 nan 8.190 nan 0.000 0.461 66 T N -0.952 113.342 114.554 -0.433 0.000 2.849 66 T HA -0.213 4.137 4.350 -0.000 0.000 0.270 66 T C 1.916 176.509 174.700 -0.179 0.000 1.066 66 T CA 1.619 63.429 62.100 -0.482 0.000 1.130 66 T CB -0.575 67.947 68.868 -0.577 0.000 0.864 66 T HN 0.650 nan 8.240 nan 0.000 0.481 67 S N 0.692 116.345 115.700 -0.079 0.000 2.453 67 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 67 S C 1.766 176.461 174.600 0.159 0.000 1.005 67 S CA 0.489 58.722 58.200 0.054 0.000 0.949 67 S CB -0.752 62.514 63.200 0.109 0.000 0.774 67 S HN 0.932 nan 8.310 nan 0.000 0.510 68 W N -2.536 118.814 121.300 0.083 0.000 2.592 68 W HA 0.472 5.132 4.660 -0.000 0.000 0.306 68 W C -0.349 176.284 176.519 0.190 0.000 0.991 68 W CA -0.572 56.813 57.345 0.067 0.000 1.430 68 W CB -0.191 29.250 29.460 -0.032 0.000 1.017 68 W HN 0.269 nan 8.180 nan 0.000 0.557 69 W N 4.182 125.225 121.300 -0.428 0.000 2.159 69 W HA 0.324 4.984 4.660 -0.000 0.000 0.375 69 W C -1.472 175.025 176.519 -0.038 0.000 0.794 69 W CA -2.934 54.273 57.345 -0.231 0.000 2.716 69 W CB -0.462 28.750 29.460 -0.413 0.000 1.583 69 W HN -0.200 nan 8.180 nan 0.000 0.702 70 P HA -0.177 nan 4.420 nan 0.000 0.218 70 P C 1.567 178.940 177.300 0.121 0.000 1.148 70 P CA 2.285 65.442 63.100 0.094 0.000 0.822 70 P CB -0.235 31.489 31.700 0.040 0.000 0.784 71 T N -3.642 110.950 114.554 0.063 0.000 3.118 71 T HA 0.036 4.386 4.350 -0.000 0.000 0.260 71 T C 1.583 176.211 174.700 -0.119 0.000 1.139 71 T CA 0.303 62.395 62.100 -0.013 0.000 1.085 71 T CB -0.879 67.975 68.868 -0.024 0.000 0.934 71 T HN -0.104 nan 8.240 nan 0.000 0.518 72 L N -0.280 120.823 121.223 -0.199 0.000 2.554 72 L HA 0.437 4.777 4.340 -0.000 0.000 0.226 72 L C -0.080 176.459 176.870 -0.552 0.000 1.137 72 L CA 0.467 54.964 54.840 -0.571 0.000 0.863 72 L CB -0.435 40.976 42.059 -1.079 0.000 0.985 72 L HN 0.256 nan 8.230 nan 0.000 0.451 73 F N -0.509 119.320 119.950 -0.201 0.000 2.421 73 F HA 0.647 5.174 4.527 -0.000 0.000 0.337 73 F C 0.936 176.673 175.800 -0.105 0.000 1.105 73 F CA -0.359 57.556 58.000 -0.142 0.000 1.049 73 F CB 1.346 40.203 39.000 -0.239 0.000 1.139 73 F HN -0.035 nan 8.300 nan 0.000 0.479 74 G N 2.011 110.867 108.800 0.093 0.000 2.355 74 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.619 74 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.619 74 G C -1.663 173.249 174.900 0.020 0.000 1.337 74 G CA -1.216 43.923 45.100 0.065 0.000 0.993 74 G HN 0.519 nan 8.290 nan 0.000 0.599 75 Q N 0.523 120.333 119.800 0.016 0.000 2.286 75 Q HA 0.387 4.727 4.340 -0.000 0.000 0.290 75 Q C 1.638 177.623 176.000 -0.025 0.000 1.049 75 Q CA 2.102 57.902 55.803 -0.006 0.000 0.923 75 Q CB 0.321 29.056 28.738 -0.004 0.000 1.183 75 Q HN 2.530 nan 8.270 nan 0.000 0.383 76 G N 4.041 112.820 108.800 -0.036 0.000 2.189 76 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.267 76 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.267 76 G C 0.231 175.091 174.900 -0.067 0.000 0.975 76 G CA 0.562 45.634 45.100 -0.046 0.000 0.644 76 G HN 0.544 nan 8.290 nan 0.000 0.537 77 R N -0.519 119.931 120.500 -0.084 0.000 2.705 77 R HA 0.792 5.132 4.340 -0.000 0.000 0.246 77 R C 1.722 177.899 176.300 -0.205 0.000 1.142 77 R CA -0.049 55.956 56.100 -0.157 0.000 1.114 77 R CB -0.015 30.180 30.300 -0.175 0.000 1.256 77 R HN 0.384 nan 8.270 nan 0.000 0.536 78 A N 0.807 123.391 122.820 -0.393 0.000 1.877 78 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 78 A C 0.476 177.823 177.584 -0.395 0.000 1.186 78 A CA 1.330 53.069 52.037 -0.496 0.000 0.620 78 A CB -0.411 18.070 19.000 -0.866 0.000 0.822 78 A HN 0.415 nan 8.150 nan 0.000 0.443 79 F N 1.414 121.109 119.950 -0.424 0.000 2.541 79 F HA 0.284 4.811 4.527 -0.000 0.000 0.351 79 F C 0.066 175.740 175.800 -0.209 0.000 1.209 79 F CA -1.969 55.750 58.000 -0.467 0.000 1.277 79 F CB -0.411 37.911 39.000 -1.128 0.000 1.632 79 F HN 0.077 nan 8.300 nan 0.000 0.619 80 D N 1.676 122.190 120.400 0.190 0.000 2.374 80 D HA 0.008 4.648 4.640 -0.000 0.000 0.240 80 D C 1.340 177.731 176.300 0.151 0.000 1.229 80 D CA 0.141 54.214 54.000 0.121 0.000 0.895 80 D CB 0.912 41.740 40.800 0.047 0.000 1.046 80 D HN 0.475 nan 8.370 nan 0.000 0.498 81 T N -0.379 114.264 114.554 0.148 0.000 3.163 81 T HA -0.108 4.242 4.350 -0.000 0.000 0.260 81 T C 1.578 176.347 174.700 0.114 0.000 1.156 81 T CA 0.738 62.948 62.100 0.183 0.000 1.072 81 T CB -0.122 68.886 68.868 0.234 0.000 0.937 81 T HN 0.253 nan 8.240 nan 0.000 0.528 82 S N 0.450 116.174 115.700 0.041 0.000 2.524 82 S HA 0.234 4.704 4.470 -0.000 0.000 0.216 82 S C 1.925 176.481 174.600 -0.074 0.000 0.987 82 S CA -0.562 57.636 58.200 -0.003 0.000 0.909 82 S CB -0.041 63.150 63.200 -0.015 0.000 0.781 82 S HN 0.518 nan 8.310 nan 0.000 0.521 83 R N -1.146 119.249 120.500 -0.175 0.000 2.257 83 R HA 0.388 4.728 4.340 -0.000 0.000 0.195 83 R C -0.475 175.592 176.300 -0.388 0.000 0.921 83 R CA 0.263 56.116 56.100 -0.412 0.000 1.069 83 R CB 0.381 30.205 30.300 -0.793 0.000 1.115 83 R HN 0.412 nan 8.270 nan 0.000 0.571 84 Y N -0.945 119.397 120.300 0.069 0.000 2.562 84 Y HA 0.322 4.872 4.550 -0.000 0.000 0.343 84 Y C -0.779 175.224 175.900 0.171 0.000 1.025 84 Y CA -1.495 56.660 58.100 0.091 0.000 1.082 84 Y CB 1.558 40.046 38.460 0.046 0.000 1.264 84 Y HN -0.175 nan 8.280 nan 0.000 0.478 85 F N 4.506 124.581 119.950 0.209 0.000 2.335 85 F HA 0.461 4.988 4.527 -0.000 0.000 0.365 85 F C -1.045 174.828 175.800 0.121 0.000 1.122 85 F CA -1.050 57.034 58.000 0.141 0.000 1.151 85 F CB -0.035 39.010 39.000 0.075 0.000 1.282 85 F HN 0.179 nan 8.300 nan 0.000 0.513 86 I N 7.794 128.255 120.570 -0.181 0.000 2.365 86 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 86 I C -0.185 175.758 176.117 -0.290 0.000 1.004 86 I CA -0.686 60.513 61.300 -0.169 0.000 1.311 86 I CB 1.258 39.289 38.000 0.051 0.000 1.401 86 I HN 0.620 nan 8.210 nan 0.000 0.491 87 I N 5.953 126.346 120.570 -0.295 0.000 2.656 87 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 87 I C -1.378 174.686 176.117 -0.089 0.000 1.144 87 I CA -0.254 60.892 61.300 -0.256 0.000 1.038 87 I CB 2.086 39.840 38.000 -0.409 0.000 1.244 87 I HN 0.702 nan 8.210 nan 0.000 0.420 88 C N 8.003 127.308 119.300 0.008 0.000 2.408 88 C HA 0.771 5.231 4.460 -0.000 0.000 0.321 88 C C -1.078 173.883 174.990 -0.048 0.000 1.245 88 C CA -0.518 58.509 59.018 0.015 0.000 1.523 88 C CB 0.676 28.516 27.740 0.166 0.000 2.178 88 C HN 0.680 nan 8.230 nan 0.000 0.488 89 L N 5.394 126.527 121.223 -0.150 0.000 2.329 89 L HA 0.507 4.847 4.340 -0.000 0.000 0.279 89 L C 0.457 177.219 176.870 -0.180 0.000 1.014 89 L CA -0.064 54.608 54.840 -0.281 0.000 0.814 89 L CB 0.971 42.532 42.059 -0.829 0.000 1.257 89 L HN 0.711 nan 8.230 nan 0.000 0.424 90 N N 1.666 120.379 118.700 0.023 0.000 2.470 90 N HA 0.110 4.850 4.740 -0.000 0.000 0.268 90 N C -0.819 174.873 175.510 0.303 0.000 1.136 90 N CA -0.375 52.801 53.050 0.211 0.000 0.961 90 N CB 0.444 39.038 38.487 0.178 0.000 1.067 90 N HN 0.467 nan 8.380 nan 0.000 0.468 91 Y N 2.456 122.999 120.300 0.406 0.000 2.683 91 Y HA -0.032 4.518 4.550 -0.000 0.000 0.340 91 Y C 1.004 176.998 175.900 0.158 0.000 1.245 91 Y CA -0.755 57.463 58.100 0.197 0.000 1.485 91 Y CB 0.577 39.046 38.460 0.015 0.000 1.328 91 Y HN 0.267 nan 8.280 nan 0.000 0.603 92 L N 2.043 123.431 121.223 0.275 0.000 2.483 92 L HA 0.109 4.449 4.340 -0.000 0.000 0.276 92 L C 1.309 178.258 176.870 0.131 0.000 1.213 92 L CA 0.955 55.905 54.840 0.182 0.000 0.843 92 L CB -0.072 42.131 42.059 0.239 0.000 1.107 92 L HN 1.091 nan 8.230 nan 0.000 0.487 93 G N 1.361 110.080 108.800 -0.134 0.000 2.217 93 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 93 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 93 G C 0.335 175.135 174.900 -0.166 0.000 0.990 93 G CA 0.240 45.227 45.100 -0.188 0.000 0.627 93 G HN 0.688 nan 8.290 nan 0.000 0.522 94 S N 1.111 116.759 115.700 -0.088 0.000 2.610 94 S HA 0.640 5.110 4.470 -0.000 0.000 0.273 94 S C -0.726 173.669 174.600 -0.341 0.000 1.274 94 S CA -0.686 57.461 58.200 -0.088 0.000 1.023 94 S CB 1.670 64.973 63.200 0.172 0.000 0.962 94 S HN 0.084 nan 8.310 nan 0.000 0.523 95 P HA 0.143 nan 4.420 nan 0.000 0.249 95 P C 0.013 177.001 177.300 -0.520 0.000 1.229 95 P CA 0.409 63.028 63.100 -0.802 0.000 0.788 95 P CB -0.108 30.708 31.700 -1.474 0.000 1.072 96 F N 0.068 119.994 119.950 -0.038 0.000 2.660 96 F HA 0.472 4.999 4.527 -0.000 0.000 0.297 96 F C 1.817 177.634 175.800 0.028 0.000 1.132 96 F CA 0.175 58.189 58.000 0.023 0.000 1.372 96 F CB -0.169 38.849 39.000 0.030 0.000 1.003 96 F HN 0.090 nan 8.300 nan 0.000 0.524 97 G N -1.172 107.706 108.800 0.130 0.000 2.797 97 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.195 97 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.195 97 G C 0.541 175.485 174.900 0.074 0.000 1.026 97 G CA -0.207 44.950 45.100 0.096 0.000 0.759 97 G HN 0.170 nan 8.290 nan 0.000 0.475 98 S N 1.003 116.753 115.700 0.084 0.000 2.600 98 S HA 0.633 5.103 4.470 -0.000 0.000 0.265 98 S C 0.910 175.517 174.600 0.011 0.000 1.325 98 S CA 0.263 58.514 58.200 0.086 0.000 1.002 98 S CB 1.200 64.486 63.200 0.143 0.000 0.921 98 S HN 1.557 nan 8.310 nan 0.000 0.554 99 A N 0.841 123.684 122.820 0.038 0.000 2.546 99 A HA 0.545 4.865 4.320 -0.000 0.000 0.243 99 A C 0.769 178.044 177.584 -0.515 0.000 1.063 99 A CA 0.523 52.552 52.037 -0.014 0.000 0.757 99 A CB -0.724 18.405 19.000 0.215 0.000 0.991 99 A HN 1.099 nan 8.150 nan 0.000 0.503 100 G N 1.427 109.666 108.800 -0.935 0.000 2.430 100 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 100 G HA3 0.472 4.432 3.960 -0.000 0.000 0.300 100 G C -2.627 171.742 174.900 -0.886 0.000 1.330 100 G CA -0.104 44.005 45.100 -1.651 0.000 0.813 100 G HN 0.222 nan 8.290 nan 0.000 0.487 101 P HA -0.052 nan 4.420 nan 0.000 0.217 101 P C 1.628 178.908 177.300 -0.032 0.000 1.148 101 P CA 1.596 64.631 63.100 -0.108 0.000 0.834 101 P CB 0.159 31.810 31.700 -0.081 0.000 0.783 102 C N -1.758 117.475 119.300 -0.112 0.000 2.696 102 C HA 0.172 4.632 4.460 -0.000 0.000 0.264 102 C C 1.451 176.453 174.990 0.019 0.000 1.288 102 C CA 0.050 59.049 59.018 -0.032 0.000 1.717 102 C CB -1.458 26.249 27.740 -0.055 0.000 1.893 102 C HN 0.265 nan 8.230 nan 0.000 0.577 103 S N 1.217 116.947 115.700 0.050 0.000 2.616 103 S HA 0.487 4.957 4.470 -0.000 0.000 0.277 103 S C -3.060 171.615 174.600 0.125 0.000 1.234 103 S CA -1.126 57.135 58.200 0.102 0.000 1.028 103 S CB 0.796 64.058 63.200 0.104 0.000 0.988 103 S HN 0.025 nan 8.310 nan 0.000 0.522 104 P HA 0.151 nan 4.420 nan 0.000 0.264 104 P C -0.899 176.244 177.300 -0.262 0.000 1.193 104 P CA 0.091 63.150 63.100 -0.069 0.000 0.763 104 P CB 0.231 31.911 31.700 -0.034 0.000 0.810 105 D N 5.168 125.299 120.400 -0.449 0.000 2.339 105 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 105 D C -1.319 174.770 176.300 -0.352 0.000 1.183 105 D CA -2.307 51.227 54.000 -0.777 0.000 0.859 105 D CB 0.673 41.105 40.800 -0.613 0.000 1.067 105 D HN 0.182 nan 8.370 nan 0.000 0.484 106 P HA -0.082 nan 4.420 nan 0.000 0.220 106 P C 0.153 177.411 177.300 -0.071 0.000 1.148 106 P CA 0.639 63.685 63.100 -0.091 0.000 0.803 106 P CB 0.437 32.131 31.700 -0.011 0.000 0.782 107 D N -0.438 119.911 120.400 -0.085 0.000 2.344 107 D HA 0.212 4.852 4.640 -0.000 0.000 0.242 107 D C 1.093 177.357 176.300 -0.059 0.000 1.159 107 D CA 0.252 54.222 54.000 -0.050 0.000 0.859 107 D CB -0.249 40.537 40.800 -0.024 0.000 0.925 107 D HN 0.167 nan 8.370 nan 0.000 0.510 108 A N -0.162 122.610 122.820 -0.080 0.000 2.630 108 A HA 0.184 4.504 4.320 -0.000 0.000 0.287 108 A C 0.699 178.249 177.584 -0.056 0.000 1.040 108 A CA -0.296 51.701 52.037 -0.067 0.000 0.971 108 A CB 0.132 19.081 19.000 -0.085 0.000 1.241 108 A HN 0.073 nan 8.150 nan 0.000 0.558 109 E N -1.732 118.438 120.200 -0.049 0.000 3.170 109 E HA -0.272 4.078 4.350 -0.000 0.000 0.284 109 E C 0.961 177.538 176.600 -0.038 0.000 0.967 109 E CA 0.904 57.284 56.400 -0.035 0.000 0.919 109 E CB -1.686 28.000 29.700 -0.024 0.000 1.469 109 E HN 1.825 nan 8.360 nan 0.000 0.444 110 G N -0.146 108.618 108.800 -0.061 0.000 2.143 110 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.249 110 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.249 110 G C 0.642 175.514 174.900 -0.048 0.000 0.981 110 G CA 0.630 45.696 45.100 -0.058 0.000 0.665 110 G HN 0.343 nan 8.290 nan 0.000 0.528 111 Q N -0.839 118.931 119.800 -0.049 0.000 2.354 111 Q HA 0.149 4.489 4.340 -0.000 0.000 0.203 111 Q C 1.459 177.433 176.000 -0.042 0.000 0.933 111 Q CA 0.659 56.439 55.803 -0.038 0.000 0.901 111 Q CB 0.682 29.401 28.738 -0.032 0.000 1.007 111 Q HN 0.640 nan 8.270 nan 0.000 0.495 112 R N 0.658 121.121 120.500 -0.060 0.000 2.867 112 R HA 0.434 4.774 4.340 -0.000 0.000 0.268 112 R C -2.618 173.632 176.300 -0.083 0.000 1.014 112 R CA -1.975 54.088 56.100 -0.061 0.000 0.946 112 R CB 1.934 32.199 30.300 -0.058 0.000 1.208 112 R HN -0.075 nan 8.270 nan 0.000 0.477 113 P HA 0.102 nan 4.420 nan 0.000 0.279 113 P C -0.031 177.259 177.300 -0.016 0.000 1.252 113 P CA -0.249 62.831 63.100 -0.033 0.000 0.811 113 P CB 0.552 32.259 31.700 0.012 0.000 1.035 114 Y N 1.169 121.495 120.300 0.043 0.000 2.139 114 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 114 Y C 2.259 178.188 175.900 0.049 0.000 1.179 114 Y CA 2.327 60.481 58.100 0.091 0.000 1.161 114 Y CB -1.148 37.448 38.460 0.228 0.000 0.970 114 Y HN 0.702 nan 8.280 nan 0.000 0.511 115 G N -0.021 108.880 108.800 0.168 0.000 2.611 115 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.301 115 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.301 115 G C 1.224 176.172 174.900 0.079 0.000 1.233 115 G CA 0.775 45.895 45.100 0.034 0.000 0.993 115 G HN 0.803 nan 8.290 nan 0.000 0.553 116 A N -0.782 122.053 122.820 0.025 0.000 2.168 116 A HA 0.230 4.549 4.320 -0.000 0.000 0.215 116 A C 1.984 179.636 177.584 0.113 0.000 1.152 116 A CA 2.231 54.309 52.037 0.069 0.000 0.716 116 A CB -0.208 18.792 19.000 0.000 0.000 0.794 116 A HN 0.422 nan 8.150 nan 0.000 0.465 117 K N -0.946 119.538 120.400 0.140 0.000 2.387 117 K HA 0.190 4.510 4.320 -0.000 0.000 0.198 117 K C -0.236 176.473 176.600 0.182 0.000 1.022 117 K CA -0.475 55.898 56.287 0.142 0.000 1.128 117 K CB -0.507 32.072 32.500 0.132 0.000 0.853 117 K HN 0.492 nan 8.250 nan 0.000 0.523 118 F N 3.828 123.807 119.950 0.048 0.000 2.578 118 F HA 0.080 4.607 4.527 -0.000 0.000 0.381 118 F C -1.779 173.964 175.800 -0.096 0.000 1.069 118 F CA -1.844 56.071 58.000 -0.142 0.000 1.231 118 F CB 0.408 39.265 39.000 -0.239 0.000 1.086 118 F HN -0.047 nan 8.300 nan 0.000 0.564 119 P HA 0.017 nan 4.420 nan 0.000 0.269 119 P C -0.677 176.372 177.300 -0.419 0.000 1.215 119 P CA -0.352 62.455 63.100 -0.490 0.000 0.780 119 P CB 0.467 31.870 31.700 -0.495 0.000 0.898 120 R N 1.870 122.262 120.500 -0.180 0.000 2.570 120 R HA 0.169 4.509 4.340 -0.000 0.000 0.277 120 R C -0.151 176.086 176.300 -0.105 0.000 1.039 120 R CA 0.659 56.706 56.100 -0.088 0.000 1.065 120 R CB -0.153 30.121 30.300 -0.044 0.000 0.964 120 R HN 0.676 nan 8.270 nan 0.000 0.428 121 T N -0.074 114.457 114.554 -0.040 0.000 2.916 121 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 121 T C 0.010 174.686 174.700 -0.040 0.000 1.055 121 T CA -0.770 61.318 62.100 -0.019 0.000 1.009 121 T CB 1.932 70.836 68.868 0.060 0.000 1.118 121 T HN 0.591 nan 8.240 nan 0.000 0.497 122 T N -0.750 113.772 114.554 -0.054 0.000 2.940 122 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 122 T C 1.466 176.065 174.700 -0.167 0.000 1.045 122 T CA -1.145 60.892 62.100 -0.105 0.000 1.018 122 T CB 0.746 69.556 68.868 -0.096 0.000 1.151 122 T HN 0.409 nan 8.240 nan 0.000 0.529 123 I N 0.633 121.035 120.570 -0.281 0.000 2.151 123 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 123 I C 2.749 178.658 176.117 -0.346 0.000 1.080 123 I CA 1.612 62.598 61.300 -0.524 0.000 1.339 123 I CB -1.209 36.422 38.000 -0.615 0.000 1.039 123 I HN 0.749 nan 8.210 nan 0.000 0.409 124 R N 0.541 120.901 120.500 -0.233 0.000 2.105 124 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 124 R C 1.920 178.157 176.300 -0.105 0.000 1.135 124 R CA 1.510 57.496 56.100 -0.190 0.000 0.967 124 R CB -0.333 29.866 30.300 -0.169 0.000 0.861 124 R HN 0.425 nan 8.270 nan 0.000 0.442 125 D N 0.665 121.042 120.400 -0.039 0.000 2.123 125 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 125 D C 1.461 177.759 176.300 -0.003 0.000 0.992 125 D CA 1.232 55.299 54.000 0.111 0.000 0.833 125 D CB -0.290 40.590 40.800 0.134 0.000 0.954 125 D HN 0.170 nan 8.370 nan 0.000 0.455 126 D N 0.218 120.550 120.400 -0.113 0.000 2.084 126 D HA -0.104 4.536 4.640 -0.000 0.000 0.194 126 D C 2.354 178.394 176.300 -0.434 0.000 0.990 126 D CA 0.514 54.350 54.000 -0.274 0.000 0.826 126 D CB -0.369 40.411 40.800 -0.033 0.000 0.971 126 D HN 0.045 nan 8.370 nan 0.000 0.453 127 V N 1.102 120.854 119.914 -0.270 0.000 2.392 127 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 127 V C 2.493 178.417 176.094 -0.283 0.000 1.059 127 V CA 1.682 63.705 62.300 -0.463 0.000 1.051 127 V CB -0.337 31.081 31.823 -0.674 0.000 0.658 127 V HN 0.130 nan 8.190 nan 0.000 0.455 128 R N -0.658 119.797 120.500 -0.075 0.000 2.062 128 R HA 0.010 4.350 4.340 -0.000 0.000 0.229 128 R C 2.325 178.705 176.300 0.134 0.000 1.128 128 R CA 1.568 57.767 56.100 0.165 0.000 0.960 128 R CB -0.342 30.142 30.300 0.306 0.000 0.855 128 R HN 0.441 nan 8.270 nan 0.000 0.432 129 I N 0.337 120.793 120.570 -0.190 0.000 2.394 129 I HA -0.278 3.892 4.170 -0.000 0.000 0.251 129 I C 1.675 177.788 176.117 -0.007 0.000 1.136 129 I CA 1.495 62.519 61.300 -0.460 0.000 1.425 129 I CB 0.005 37.337 38.000 -1.114 0.000 1.079 129 I HN 0.314 nan 8.210 nan 0.000 0.425 130 H N -0.231 118.858 119.070 0.032 0.000 2.357 130 H HA -0.203 4.353 4.556 -0.000 0.000 0.301 130 H C 2.295 177.793 175.328 0.284 0.000 1.082 130 H CA 1.198 57.365 56.048 0.198 0.000 1.342 130 H CB 0.009 30.022 29.762 0.419 0.000 1.389 130 H HN 0.268 nan 8.280 nan 0.000 0.511 131 R N 1.419 122.173 120.500 0.424 0.000 2.096 131 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 131 R C 2.049 178.451 176.300 0.169 0.000 1.127 131 R CA 1.491 57.804 56.100 0.356 0.000 0.968 131 R CB -0.050 30.329 30.300 0.132 0.000 0.861 131 R HN 0.401 nan 8.270 nan 0.000 0.440 132 Q N -0.092 119.789 119.800 0.135 0.000 2.124 132 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 132 Q C 2.161 178.206 176.000 0.075 0.000 0.977 132 Q CA 1.816 57.677 55.803 0.097 0.000 0.850 132 Q CB 0.073 28.881 28.738 0.117 0.000 0.901 132 Q HN 0.262 nan 8.270 nan 0.000 0.429 133 V N 1.271 121.230 119.914 0.076 0.000 2.343 133 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 133 V C 2.217 178.297 176.094 -0.023 0.000 1.051 133 V CA 1.537 63.841 62.300 0.006 0.000 1.036 133 V CB -0.546 31.249 31.823 -0.046 0.000 0.654 133 V HN 0.363 nan 8.190 nan 0.000 0.451 134 L N -0.334 120.919 121.223 0.050 0.000 2.093 134 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 134 L C 2.410 179.315 176.870 0.058 0.000 1.085 134 L CA 1.476 56.354 54.840 0.064 0.000 0.755 134 L CB -0.839 41.325 42.059 0.175 0.000 0.904 134 L HN 0.337 nan 8.230 nan 0.000 0.435 135 D N 0.084 120.521 120.400 0.060 0.000 2.104 135 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 135 D C 2.215 178.523 176.300 0.014 0.000 0.994 135 D CA 1.211 55.228 54.000 0.028 0.000 0.830 135 D CB -0.160 40.644 40.800 0.007 0.000 0.959 135 D HN 0.161 nan 8.370 nan 0.000 0.452 136 R N 0.241 120.748 120.500 0.013 0.000 2.105 136 R HA -0.054 4.286 4.340 -0.000 0.000 0.239 136 R C 2.285 178.581 176.300 -0.006 0.000 1.135 136 R CA 0.765 56.870 56.100 0.008 0.000 0.967 136 R CB -0.229 30.082 30.300 0.018 0.000 0.861 136 R HN 0.200 nan 8.270 nan 0.000 0.442 137 L N -0.852 120.356 121.223 -0.026 0.000 2.376 137 L HA 0.072 4.412 4.340 -0.000 0.000 0.219 137 L C 1.315 178.144 176.870 -0.068 0.000 1.133 137 L CA 0.811 55.622 54.840 -0.048 0.000 0.816 137 L CB -0.034 41.986 42.059 -0.066 0.000 0.933 137 L HN 0.646 nan 8.230 nan 0.000 0.449 138 G N -0.233 108.544 108.800 -0.038 0.000 2.141 138 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.231 138 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.231 138 G C 0.214 175.093 174.900 -0.035 0.000 0.984 138 G CA -0.054 45.023 45.100 -0.038 0.000 0.660 138 G HN 0.075 nan 8.290 nan 0.000 0.525 139 V N 1.171 121.078 119.914 -0.012 0.000 2.585 139 V HA 0.200 4.320 4.120 -0.000 0.000 0.296 139 V C 1.746 177.894 176.094 0.090 0.000 1.035 139 V CA 0.596 62.909 62.300 0.023 0.000 1.084 139 V CB 1.170 33.038 31.823 0.076 0.000 0.953 139 V HN 0.439 nan 8.190 nan 0.000 0.483 140 R N 2.591 123.135 120.500 0.073 0.000 2.195 140 R HA 0.225 4.565 4.340 -0.000 0.000 0.197 140 R C 0.569 176.968 176.300 0.165 0.000 0.990 140 R CA 0.229 56.397 56.100 0.113 0.000 1.048 140 R CB 0.647 30.982 30.300 0.057 0.000 0.997 140 R HN 0.752 nan 8.270 nan 0.000 0.502 141 Q N 0.339 120.170 119.800 0.051 0.000 2.377 141 Q HA 0.409 4.749 4.340 -0.000 0.000 0.279 141 Q C -1.687 174.201 176.000 -0.187 0.000 1.049 141 Q CA -0.538 55.229 55.803 -0.059 0.000 0.825 141 Q CB 2.379 31.116 28.738 -0.002 0.000 1.401 141 Q HN 0.027 nan 8.270 nan 0.000 0.404 142 I N 2.825 123.172 120.570 -0.371 0.000 2.312 142 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 142 I C 0.839 176.832 176.117 -0.207 0.000 1.008 142 I CA -0.173 60.931 61.300 -0.328 0.000 1.226 142 I CB 1.665 39.358 38.000 -0.512 0.000 1.371 142 I HN 0.882 nan 8.210 nan 0.000 0.468 143 A N 5.391 128.117 122.820 -0.156 0.000 1.898 143 A HA 0.399 4.719 4.320 -0.000 0.000 0.216 143 A C 1.059 178.538 177.584 -0.175 0.000 1.181 143 A CA 1.440 53.398 52.037 -0.133 0.000 0.620 143 A CB -0.019 18.918 19.000 -0.105 0.000 0.819 143 A HN 0.790 nan 8.150 nan 0.000 0.442 144 A N -1.861 120.830 122.820 -0.216 0.000 2.589 144 A HA 0.539 4.859 4.320 -0.000 0.000 0.296 144 A C -0.983 176.492 177.584 -0.182 0.000 1.062 144 A CA 0.185 52.126 52.037 -0.159 0.000 0.686 144 A CB 0.792 19.698 19.000 -0.156 0.000 1.282 144 A HN 1.314 nan 8.150 nan 0.000 0.404 145 V N 2.041 121.890 119.914 -0.107 0.000 2.459 145 V HA 0.832 4.952 4.120 -0.000 0.000 0.295 145 V C -1.205 174.899 176.094 0.017 0.000 1.029 145 V CA -0.369 61.855 62.300 -0.126 0.000 0.874 145 V CB 1.454 33.107 31.823 -0.283 0.000 0.985 145 V HN 1.026 nan 8.190 nan 0.000 0.438 146 V N 5.837 125.775 119.914 0.040 0.000 2.577 146 V HA 0.978 5.098 4.120 -0.000 0.000 0.303 146 V C 0.367 176.603 176.094 0.236 0.000 1.042 146 V CA 0.255 62.654 62.300 0.165 0.000 0.872 146 V CB 1.411 33.387 31.823 0.256 0.000 0.998 146 V HN 1.314 nan 8.190 nan 0.000 0.423 147 G N 2.658 111.612 108.800 0.257 0.000 2.733 147 G HA2 0.756 4.716 3.960 -0.000 0.000 0.297 147 G HA3 0.756 4.716 3.960 -0.000 0.000 0.297 147 G C -1.288 173.677 174.900 0.107 0.000 1.452 147 G CA 0.012 45.254 45.100 0.236 0.000 0.940 147 G HN 1.081 nan 8.290 nan 0.000 0.547 148 A N 1.102 123.861 122.820 -0.102 0.000 2.340 148 A HA 0.966 5.286 4.320 -0.000 0.000 0.331 148 A C 0.878 178.154 177.584 -0.514 0.000 1.140 148 A CA 0.724 52.450 52.037 -0.518 0.000 0.801 148 A CB 1.301 19.438 19.000 -1.438 0.000 1.234 148 A HN 2.576 nan 8.150 nan 0.000 0.469 149 S N 0.624 116.088 115.700 -0.393 0.000 4.118 149 S HA -0.342 4.128 4.470 -0.000 0.000 0.624 149 S C 1.653 176.211 174.600 -0.070 0.000 1.929 149 S CA 2.109 60.224 58.200 -0.141 0.000 4.219 149 S CB -1.780 61.458 63.200 0.063 0.000 0.206 149 S HN 1.697 nan 8.310 nan 0.000 0.525 150 M N 1.360 121.016 119.600 0.093 0.000 2.106 150 M HA -0.043 4.437 4.480 -0.000 0.000 0.259 150 M C 1.993 178.332 176.300 0.065 0.000 1.068 150 M CA 2.778 58.127 55.300 0.082 0.000 1.100 150 M CB -1.045 31.540 32.600 -0.024 0.000 1.351 150 M HN 0.693 nan 8.290 nan 0.000 0.404 151 G N -1.056 107.796 108.800 0.087 0.000 2.448 151 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 151 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 151 G C 1.375 176.371 174.900 0.159 0.000 1.127 151 G CA 0.730 45.938 45.100 0.180 0.000 0.766 151 G HN 0.641 nan 8.290 nan 0.000 0.552 152 G N 0.733 109.559 108.800 0.044 0.000 2.448 152 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 152 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 152 G C 1.808 176.736 174.900 0.046 0.000 1.127 152 G CA 0.955 46.085 45.100 0.050 0.000 0.766 152 G HN 0.464 nan 8.290 nan 0.000 0.552 153 M N -0.514 119.045 119.600 -0.068 0.000 2.098 153 M HA 0.058 4.538 4.480 -0.000 0.000 0.262 153 M C 2.339 178.547 176.300 -0.154 0.000 1.072 153 M CA 1.200 56.310 55.300 -0.316 0.000 1.133 153 M CB -0.473 31.602 32.600 -0.875 0.000 1.344 153 M HN 0.197 nan 8.290 nan 0.000 0.414 154 H N 0.068 119.081 119.070 -0.095 0.000 2.357 154 H HA -0.138 4.418 4.556 -0.000 0.000 0.296 154 H C 2.211 177.741 175.328 0.337 0.000 1.108 154 H CA 2.181 58.278 56.048 0.081 0.000 1.273 154 H CB -0.815 29.058 29.762 0.184 0.000 1.367 154 H HN 0.321 nan 8.280 nan 0.000 0.498 155 T N 0.565 115.387 114.554 0.447 0.000 2.684 155 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 155 T C 2.174 177.085 174.700 0.351 0.000 1.036 155 T CA 1.356 63.703 62.100 0.412 0.000 1.148 155 T CB -0.354 68.665 68.868 0.252 0.000 0.863 155 T HN 0.188 nan 8.240 nan 0.000 0.436 156 L N 0.691 122.076 121.223 0.269 0.000 2.046 156 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 156 L C 2.916 180.013 176.870 0.378 0.000 1.077 156 L CA 1.120 56.127 54.840 0.279 0.000 0.747 156 L CB -0.491 41.734 42.059 0.275 0.000 0.896 156 L HN 0.172 nan 8.230 nan 0.000 0.432 157 E N -0.477 119.899 120.200 0.293 0.000 2.077 157 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 157 E C 2.014 178.716 176.600 0.169 0.000 0.989 157 E CA 1.399 57.915 56.400 0.194 0.000 0.800 157 E CB -0.323 29.340 29.700 -0.061 0.000 0.746 157 E HN 0.531 nan 8.360 nan 0.000 0.452 158 W N 1.377 122.789 121.300 0.188 0.000 2.321 158 W HA -0.235 4.425 4.660 -0.000 0.000 0.306 158 W C 2.595 179.247 176.519 0.221 0.000 1.217 158 W CA 1.568 59.061 57.345 0.247 0.000 1.257 158 W CB -0.485 29.143 29.460 0.281 0.000 1.145 158 W HN 0.100 nan 8.180 nan 0.000 0.509 159 A N -0.692 122.340 122.820 0.353 0.000 1.986 159 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 159 A C 1.558 179.129 177.584 -0.022 0.000 1.171 159 A CA 1.481 53.582 52.037 0.106 0.000 0.640 159 A CB -1.247 17.692 19.000 -0.103 0.000 0.811 159 A HN 0.345 nan 8.150 nan 0.000 0.451 160 F N -1.701 118.273 119.950 0.040 0.000 2.802 160 F HA 0.116 4.643 4.527 -0.000 0.000 0.300 160 F C 1.387 177.156 175.800 -0.051 0.000 1.168 160 F CA 0.174 58.149 58.000 -0.043 0.000 1.433 160 F CB -0.445 38.476 39.000 -0.132 0.000 1.115 160 F HN 0.237 nan 8.300 nan 0.000 0.582 161 F N 0.550 120.675 119.950 0.293 0.000 2.546 161 F HA 0.150 4.677 4.527 -0.000 0.000 0.298 161 F C 1.557 177.494 175.800 0.228 0.000 1.120 161 F CA 0.546 58.712 58.000 0.276 0.000 1.456 161 F CB -0.552 38.724 39.000 0.461 0.000 1.088 161 F HN 0.020 nan 8.300 nan 0.000 0.572 162 G N 0.302 109.288 108.800 0.310 0.000 2.663 162 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 162 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 162 G C -2.300 172.714 174.900 0.190 0.000 1.246 162 G CA -0.649 44.570 45.100 0.198 0.000 0.795 162 G HN -0.079 nan 8.290 nan 0.000 0.627 163 P HA 0.033 nan 4.420 nan 0.000 0.237 163 P C 1.099 178.456 177.300 0.095 0.000 1.178 163 P CA 1.214 64.366 63.100 0.086 0.000 0.766 163 P CB 0.425 32.157 31.700 0.053 0.000 0.876 164 E N -0.562 119.718 120.200 0.133 0.000 2.051 164 E HA -0.163 4.187 4.350 -0.000 0.000 0.189 164 E C 1.863 178.574 176.600 0.185 0.000 0.979 164 E CA 1.013 57.494 56.400 0.136 0.000 0.803 164 E CB -0.858 28.927 29.700 0.141 0.000 0.761 164 E HN 0.102 nan 8.360 nan 0.000 0.451 165 Y N -0.313 120.042 120.300 0.093 0.000 2.269 165 Y HA 0.249 4.799 4.550 -0.000 0.000 0.294 165 Y C 0.027 175.992 175.900 0.109 0.000 1.120 165 Y CA 0.541 58.694 58.100 0.090 0.000 1.159 165 Y CB 0.563 39.078 38.460 0.092 0.000 1.024 165 Y HN -0.170 nan 8.280 nan 0.000 0.532 166 V N 3.094 123.054 119.914 0.076 0.000 2.350 166 V HA 0.277 4.397 4.120 -0.000 0.000 0.285 166 V C 0.571 176.679 176.094 0.023 0.000 1.014 166 V CA -0.547 61.751 62.300 -0.004 0.000 0.831 166 V CB 1.439 33.370 31.823 0.181 0.000 1.000 166 V HN 0.239 nan 8.190 nan 0.000 0.433 167 R N 2.587 123.068 120.500 -0.032 0.000 2.093 167 R HA 0.180 4.520 4.340 -0.000 0.000 0.224 167 R C 0.158 176.458 176.300 -0.001 0.000 1.101 167 R CA 0.760 56.850 56.100 -0.017 0.000 0.979 167 R CB 0.298 30.571 30.300 -0.045 0.000 0.877 167 R HN 0.506 nan 8.270 nan 0.000 0.441 168 K N 0.438 120.843 120.400 0.007 0.000 2.551 168 K HA 0.412 4.732 4.320 -0.000 0.000 0.269 168 K C -1.158 175.523 176.600 0.134 0.000 0.949 168 K CA -0.631 55.707 56.287 0.086 0.000 0.849 168 K CB 2.793 35.291 32.500 -0.003 0.000 1.411 168 K HN -0.045 nan 8.250 nan 0.000 0.432 169 I N -1.967 118.733 120.570 0.217 0.000 2.647 169 I HA 0.609 4.779 4.170 -0.000 0.000 0.295 169 I C -0.860 175.347 176.117 0.150 0.000 1.078 169 I CA -1.103 60.295 61.300 0.164 0.000 1.048 169 I CB 2.174 40.249 38.000 0.127 0.000 1.239 169 I HN 0.180 nan 8.210 nan 0.000 0.421 170 V N 5.200 125.183 119.914 0.115 0.000 2.320 170 V HA 0.398 4.518 4.120 -0.000 0.000 0.268 170 V C -2.371 173.773 176.094 0.084 0.000 1.021 170 V CA -1.179 61.148 62.300 0.045 0.000 0.813 170 V CB 0.899 32.761 31.823 0.064 0.000 1.054 170 V HN 0.660 nan 8.190 nan 0.000 0.444 171 P HA 0.474 nan 4.420 nan 0.000 0.281 171 P C -0.710 176.666 177.300 0.127 0.000 1.252 171 P CA -0.052 63.114 63.100 0.111 0.000 0.778 171 P CB 1.645 33.414 31.700 0.116 0.000 0.895 172 I N 1.847 122.486 120.570 0.116 0.000 2.466 172 I HA 0.443 4.612 4.170 -0.000 0.000 0.289 172 I C 0.173 176.358 176.117 0.114 0.000 1.026 172 I CA -1.069 60.307 61.300 0.127 0.000 1.078 172 I CB 1.845 39.898 38.000 0.088 0.000 1.249 172 I HN 0.452 nan 8.210 nan 0.000 0.429 173 A N 3.381 126.386 122.820 0.307 0.000 2.416 173 A HA -0.131 4.189 4.320 -0.000 0.000 0.293 173 A C 0.135 177.862 177.584 0.238 0.000 1.452 173 A CA 1.410 53.716 52.037 0.448 0.000 0.738 173 A CB -1.590 17.679 19.000 0.448 0.000 1.123 173 A HN 0.863 nan 8.150 nan 0.000 0.389 174 T N -1.030 113.668 114.554 0.239 0.000 2.645 174 T HA 0.854 5.204 4.350 -0.000 0.000 0.300 174 T C -0.188 174.383 174.700 -0.216 0.000 1.210 174 T CA 0.636 62.539 62.100 -0.329 0.000 1.034 174 T CB 1.417 70.217 68.868 -0.114 0.000 1.537 174 T HN 2.093 nan 8.240 nan 0.000 0.492 175 S N -0.842 114.804 115.700 -0.089 0.000 2.627 175 S HA 0.474 4.944 4.470 -0.000 0.000 0.283 175 S C 0.640 175.384 174.600 0.241 0.000 1.127 175 S CA -0.611 57.667 58.200 0.131 0.000 0.863 175 S CB 1.019 64.428 63.200 0.348 0.000 1.121 175 S HN 0.803 nan 8.310 nan 0.000 0.479 176 C N 0.700 120.084 119.300 0.141 0.000 2.563 176 C HA 0.426 4.886 4.460 -0.000 0.000 0.268 176 C C 1.139 175.986 174.990 -0.240 0.000 1.365 176 C CA 0.120 59.172 59.018 0.056 0.000 1.754 176 C CB -1.446 26.297 27.740 0.006 0.000 1.932 176 C HN 0.931 nan 8.230 nan 0.000 0.536 177 R N -0.848 119.590 120.500 -0.104 0.000 2.741 177 R HA 0.423 4.763 4.340 -0.000 0.000 0.276 177 R C -1.338 175.015 176.300 0.089 0.000 1.028 177 R CA -0.649 55.341 56.100 -0.183 0.000 0.865 177 R CB 0.317 30.517 30.300 -0.167 0.000 1.268 177 R HN -0.082 nan 8.270 nan 0.000 0.475 178 Q N 1.488 121.348 119.800 0.100 0.000 2.361 178 Q HA 0.273 4.613 4.340 -0.000 0.000 0.276 178 Q C -0.880 175.190 176.000 0.116 0.000 1.022 178 Q CA 0.494 56.388 55.803 0.150 0.000 0.898 178 Q CB 0.965 29.782 28.738 0.132 0.000 1.246 178 Q HN 0.677 nan 8.270 nan 0.000 0.410 179 S N 1.352 117.136 115.700 0.139 0.000 2.621 179 S HA 0.680 5.150 4.470 -0.000 0.000 0.302 179 S C 0.902 175.585 174.600 0.139 0.000 1.093 179 S CA -0.493 57.787 58.200 0.133 0.000 1.017 179 S CB 1.564 64.861 63.200 0.161 0.000 1.077 179 S HN 0.743 nan 8.310 nan 0.000 0.517 180 G N 0.278 109.157 108.800 0.133 0.000 2.422 180 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 180 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 180 G C 1.064 176.066 174.900 0.170 0.000 1.140 180 G CA 0.261 45.433 45.100 0.119 0.000 0.775 180 G HN 0.827 nan 8.290 nan 0.000 0.545 181 W N 0.555 121.854 121.300 -0.001 0.000 2.353 181 W HA -0.196 4.464 4.660 -0.000 0.000 0.319 181 W C 2.274 178.851 176.519 0.096 0.000 1.207 181 W CA 1.421 58.776 57.345 0.017 0.000 1.291 181 W CB -0.461 29.024 29.460 0.043 0.000 1.159 181 W HN 0.257 nan 8.180 nan 0.000 0.478 182 C N 0.755 120.131 119.300 0.126 0.000 2.440 182 C HA -0.084 4.376 4.460 -0.000 0.000 0.278 182 C C 3.126 178.205 174.990 0.148 0.000 1.295 182 C CA 1.459 60.506 59.018 0.049 0.000 1.738 182 C CB -1.625 26.126 27.740 0.017 0.000 1.987 182 C HN 0.494 nan 8.230 nan 0.000 0.492 183 A N 0.790 123.680 122.820 0.118 0.000 1.908 183 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 183 A C 2.364 179.976 177.584 0.047 0.000 1.181 183 A CA 2.229 54.336 52.037 0.117 0.000 0.627 183 A CB -0.864 18.191 19.000 0.091 0.000 0.818 183 A HN 0.581 nan 8.150 nan 0.000 0.445 184 A N -1.435 121.342 122.820 -0.072 0.000 1.873 184 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 184 A C 2.002 179.384 177.584 -0.336 0.000 1.186 184 A CA 1.256 53.158 52.037 -0.226 0.000 0.616 184 A CB -0.935 17.859 19.000 -0.342 0.000 0.823 184 A HN 0.733 nan 8.150 nan 0.000 0.442 185 W N -1.000 120.064 121.300 -0.392 0.000 2.333 185 W HA -0.190 4.470 4.660 -0.000 0.000 0.316 185 W C 2.104 178.324 176.519 -0.498 0.000 1.215 185 W CA 1.191 58.196 57.345 -0.567 0.000 1.278 185 W CB -0.611 28.323 29.460 -0.876 0.000 1.154 185 W HN 0.366 nan 8.180 nan 0.000 0.486 186 F N -0.108 119.864 119.950 0.037 0.000 2.186 186 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 186 F C 2.376 178.185 175.800 0.015 0.000 1.090 186 F CA 1.582 59.600 58.000 0.031 0.000 1.307 186 F CB -0.836 38.185 39.000 0.036 0.000 1.019 186 F HN -0.182 nan 8.300 nan 0.000 0.489 187 E N 0.454 120.739 120.200 0.141 0.000 2.058 187 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 187 E C 2.055 178.645 176.600 -0.017 0.000 0.997 187 E CA 2.184 58.622 56.400 0.064 0.000 0.801 187 E CB -0.683 29.047 29.700 0.051 0.000 0.746 187 E HN 0.211 nan 8.360 nan 0.000 0.450 188 T N 0.788 115.303 114.554 -0.066 0.000 2.684 188 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 188 T C 1.811 176.464 174.700 -0.079 0.000 1.036 188 T CA 1.746 63.789 62.100 -0.096 0.000 1.148 188 T CB -0.295 68.480 68.868 -0.155 0.000 0.863 188 T HN 0.316 nan 8.240 nan 0.000 0.436 189 Q N 0.428 120.203 119.800 -0.042 0.000 2.061 189 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 189 Q C 2.670 178.635 176.000 -0.058 0.000 0.984 189 Q CA 1.306 57.101 55.803 -0.013 0.000 0.846 189 Q CB -0.185 28.622 28.738 0.114 0.000 0.902 189 Q HN 0.438 nan 8.270 nan 0.000 0.421 190 R N 0.577 121.021 120.500 -0.093 0.000 2.091 190 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 190 R C 2.306 178.069 176.300 -0.895 0.000 1.136 190 R CA 1.520 57.363 56.100 -0.428 0.000 0.959 190 R CB -0.205 29.869 30.300 -0.377 0.000 0.856 190 R HN 0.410 nan 8.270 nan 0.000 0.437 191 Q N -0.165 119.328 119.800 -0.511 0.000 2.181 191 Q HA -0.201 4.139 4.340 -0.000 0.000 0.205 191 Q C 2.353 178.242 176.000 -0.184 0.000 0.980 191 Q CA 1.498 57.148 55.803 -0.254 0.000 0.862 191 Q CB -0.269 28.451 28.738 -0.029 0.000 0.905 191 Q HN 0.436 nan 8.270 nan 0.000 0.429 192 C N 0.361 119.551 119.300 -0.183 0.000 2.413 192 C HA -0.153 4.307 4.460 -0.000 0.000 0.276 192 C C 2.525 177.421 174.990 -0.157 0.000 1.248 192 C CA 0.516 59.456 59.018 -0.130 0.000 1.742 192 C CB -0.918 26.751 27.740 -0.117 0.000 2.017 192 C HN 0.466 nan 8.230 nan 0.000 0.481 193 I N -0.363 120.044 120.570 -0.271 0.000 2.202 193 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 193 I C 2.430 178.314 176.117 -0.389 0.000 1.091 193 I CA 1.611 62.714 61.300 -0.327 0.000 1.368 193 I CB -0.616 37.160 38.000 -0.374 0.000 1.058 193 I HN 0.246 nan 8.210 nan 0.000 0.410 194 Y N 0.974 121.026 120.300 -0.413 0.000 2.193 194 Y HA -0.265 4.285 4.550 -0.000 0.000 0.285 194 Y C 2.192 178.074 175.900 -0.031 0.000 1.166 194 Y CA 0.841 58.762 58.100 -0.298 0.000 1.181 194 Y CB -1.146 37.254 38.460 -0.099 0.000 0.976 194 Y HN 0.274 nan 8.280 nan 0.000 0.520 195 D N -0.748 119.714 120.400 0.103 0.000 2.348 195 D HA -0.053 4.587 4.640 -0.000 0.000 0.211 195 D C 0.213 176.560 176.300 0.078 0.000 0.998 195 D CA 0.380 54.436 54.000 0.093 0.000 0.873 195 D CB -0.214 40.617 40.800 0.052 0.000 0.925 195 D HN 0.240 nan 8.370 nan 0.000 0.524 196 D N 1.562 122.000 120.400 0.062 0.000 2.401 196 D HA -0.009 4.631 4.640 -0.000 0.000 0.254 196 D C -1.355 175.024 176.300 0.132 0.000 1.192 196 D CA -1.489 52.552 54.000 0.069 0.000 0.885 196 D CB 1.826 42.645 40.800 0.033 0.000 1.147 196 D HN -0.013 nan 8.370 nan 0.000 0.478 197 P HA -0.113 nan 4.420 nan 0.000 0.222 197 P C 0.800 178.170 177.300 0.116 0.000 1.147 197 P CA 0.848 64.011 63.100 0.105 0.000 0.790 197 P CB 0.366 32.107 31.700 0.068 0.000 0.780 198 K N -1.498 118.967 120.400 0.108 0.000 2.432 198 K HA -0.095 4.224 4.320 -0.000 0.000 0.196 198 K C 2.055 178.755 176.600 0.166 0.000 1.038 198 K CA 0.359 56.708 56.287 0.103 0.000 0.986 198 K CB -0.399 32.131 32.500 0.050 0.000 0.782 198 K HN 0.188 nan 8.250 nan 0.000 0.485 199 Y N 0.789 121.130 120.300 0.069 0.000 2.200 199 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 199 Y C 0.389 176.442 175.900 0.256 0.000 1.137 199 Y CA 0.603 58.791 58.100 0.147 0.000 1.163 199 Y CB 0.359 38.909 38.460 0.150 0.000 0.988 199 Y HN -0.099 nan 8.280 nan 0.000 0.518 200 L N 2.099 123.357 121.223 0.058 0.000 3.608 200 L HA -0.330 4.010 4.340 -0.000 0.000 0.422 200 L C -0.058 176.667 176.870 -0.243 0.000 1.260 200 L CA 1.456 56.272 54.840 -0.041 0.000 0.889 200 L CB -2.034 40.040 42.059 0.024 0.000 1.821 200 L HN 0.633 nan 8.230 nan 0.000 0.884 201 D N -0.838 119.292 120.400 -0.450 0.000 3.012 201 D HA -0.227 4.413 4.640 -0.000 0.000 0.222 201 D C 1.412 177.328 176.300 -0.640 0.000 1.167 201 D CA 2.006 55.722 54.000 -0.474 0.000 0.854 201 D CB -1.029 39.675 40.800 -0.159 0.000 1.107 201 D HN 1.151 nan 8.370 nan 0.000 0.421 202 G N -0.273 107.882 108.800 -1.076 0.000 2.175 202 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.244 202 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.244 202 G C 0.558 175.252 174.900 -0.344 0.000 0.982 202 G CA 0.420 45.263 45.100 -0.429 0.000 0.641 202 G HN 0.393 nan 8.290 nan 0.000 0.527 203 E N 0.227 120.260 120.200 -0.279 0.000 2.437 203 E HA 0.176 4.526 4.350 -0.000 0.000 0.189 203 E C 0.921 177.411 176.600 -0.184 0.000 1.054 203 E CA -0.179 56.089 56.400 -0.220 0.000 0.874 203 E CB -0.333 29.292 29.700 -0.125 0.000 1.011 203 E HN 0.820 nan 8.360 nan 0.000 0.474 204 Y N 0.510 120.774 120.300 -0.060 0.000 2.550 204 Y HA 0.173 4.723 4.550 -0.000 0.000 0.343 204 Y C 0.425 176.333 175.900 0.014 0.000 1.245 204 Y CA -1.421 56.677 58.100 -0.004 0.000 1.462 204 Y CB 0.149 38.632 38.460 0.039 0.000 1.340 204 Y HN -0.248 nan 8.280 nan 0.000 0.604 205 D N 1.462 121.965 120.400 0.172 0.000 2.389 205 D HA 0.004 4.644 4.640 -0.000 0.000 0.247 205 D C 0.761 177.215 176.300 0.257 0.000 1.128 205 D CA -0.103 53.969 54.000 0.119 0.000 0.884 205 D CB 1.466 42.319 40.800 0.087 0.000 1.194 205 D HN 0.620 nan 8.370 nan 0.000 0.441 206 V N 3.148 123.161 119.914 0.164 0.000 2.867 206 V HA -0.142 3.978 4.120 -0.000 0.000 0.260 206 V C 0.667 176.877 176.094 0.194 0.000 1.099 206 V CA 1.819 64.264 62.300 0.243 0.000 1.122 206 V CB -0.282 31.633 31.823 0.152 0.000 0.708 206 V HN 0.606 nan 8.190 nan 0.000 0.490 207 D N -0.594 119.877 120.400 0.117 0.000 2.369 207 D HA 0.124 4.764 4.640 -0.000 0.000 0.211 207 D C 0.233 176.574 176.300 0.068 0.000 1.077 207 D CA 0.292 54.329 54.000 0.062 0.000 0.842 207 D CB 0.440 41.251 40.800 0.018 0.000 0.947 207 D HN 0.456 nan 8.370 nan 0.000 0.509 208 D N 1.136 121.604 120.400 0.113 0.000 2.886 208 D HA 0.048 4.688 4.640 -0.000 0.000 0.355 208 D C 0.031 176.377 176.300 0.076 0.000 1.274 208 D CA -0.323 53.728 54.000 0.086 0.000 0.836 208 D CB 0.262 41.114 40.800 0.087 0.000 1.109 208 D HN -0.181 nan 8.370 nan 0.000 0.488 209 Q N 0.810 120.612 119.800 0.003 0.000 2.474 209 Q HA 0.133 4.473 4.340 -0.000 0.000 0.256 209 Q C -1.939 173.934 176.000 -0.213 0.000 1.048 209 Q CA -1.016 54.652 55.803 -0.225 0.000 0.922 209 Q CB 0.125 28.778 28.738 -0.142 0.000 1.288 209 Q HN 0.308 nan 8.270 nan 0.000 0.484 210 P HA 0.022 nan 4.420 nan 0.000 0.249 210 P C 0.608 177.848 177.300 -0.100 0.000 1.737 210 P CA 0.208 63.231 63.100 -0.128 0.000 1.128 210 P CB -0.065 31.590 31.700 -0.075 0.000 1.942 211 V N 2.937 122.809 119.914 -0.071 0.000 2.407 211 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 211 V C 2.576 178.645 176.094 -0.042 0.000 1.055 211 V CA 1.675 63.942 62.300 -0.054 0.000 1.049 211 V CB -0.629 31.173 31.823 -0.036 0.000 0.662 211 V HN 0.322 nan 8.190 nan 0.000 0.455 212 R N 0.441 120.920 120.500 -0.034 0.000 2.075 212 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 212 R C 2.411 178.684 176.300 -0.046 0.000 1.126 212 R CA 1.438 57.519 56.100 -0.032 0.000 0.963 212 R CB -1.517 28.771 30.300 -0.020 0.000 0.858 212 R HN 0.545 nan 8.270 nan 0.000 0.435 213 G N 0.945 109.711 108.800 -0.055 0.000 2.446 213 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 213 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 213 G C 1.640 176.485 174.900 -0.093 0.000 1.168 213 G CA 0.481 45.532 45.100 -0.083 0.000 0.771 213 G HN 0.220 nan 8.290 nan 0.000 0.551 214 L N -0.078 121.101 121.223 -0.074 0.000 2.056 214 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 214 L C 2.955 179.837 176.870 0.021 0.000 1.078 214 L CA 1.233 56.053 54.840 -0.033 0.000 0.749 214 L CB -0.393 41.648 42.059 -0.030 0.000 0.901 214 L HN 0.315 nan 8.230 nan 0.000 0.433 215 E N -0.548 119.651 120.200 -0.002 0.000 2.049 215 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 215 E C 2.027 178.581 176.600 -0.076 0.000 1.007 215 E CA 2.081 58.470 56.400 -0.019 0.000 0.809 215 E CB -0.129 29.552 29.700 -0.031 0.000 0.749 215 E HN 0.472 nan 8.360 nan 0.000 0.450 216 T N 0.794 115.297 114.554 -0.084 0.000 2.821 216 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 216 T C 1.979 176.595 174.700 -0.140 0.000 1.046 216 T CA 1.040 63.080 62.100 -0.100 0.000 1.139 216 T CB -0.250 68.571 68.868 -0.078 0.000 0.871 216 T HN 0.250 nan 8.240 nan 0.000 0.454 217 A N 2.321 125.043 122.820 -0.163 0.000 1.865 217 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 217 A C 2.297 179.690 177.584 -0.318 0.000 1.191 217 A CA 2.209 54.118 52.037 -0.212 0.000 0.623 217 A CB -0.636 18.204 19.000 -0.267 0.000 0.826 217 A HN 0.491 nan 8.150 nan 0.000 0.444 218 R N 0.007 120.259 120.500 -0.413 0.000 2.096 218 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 218 R C 1.975 178.061 176.300 -0.357 0.000 1.127 218 R CA 2.008 57.794 56.100 -0.524 0.000 0.968 218 R CB -0.396 29.524 30.300 -0.634 0.000 0.861 218 R HN 0.495 nan 8.270 nan 0.000 0.440 219 K N 0.244 120.491 120.400 -0.254 0.000 2.032 219 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 219 K C 2.064 178.521 176.600 -0.239 0.000 1.048 219 K CA 2.118 58.279 56.287 -0.212 0.000 0.927 219 K CB -0.260 32.151 32.500 -0.149 0.000 0.712 219 K HN 0.243 nan 8.250 nan 0.000 0.441 220 I N 0.748 121.170 120.570 -0.247 0.000 2.179 220 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 220 I C 2.523 178.345 176.117 -0.491 0.000 1.088 220 I CA 1.193 62.324 61.300 -0.283 0.000 1.357 220 I CB -0.396 37.499 38.000 -0.175 0.000 1.051 220 I HN 0.160 nan 8.210 nan 0.000 0.409 221 A N 1.067 123.559 122.820 -0.547 0.000 1.877 221 A HA -0.293 4.027 4.320 -0.000 0.000 0.216 221 A C 2.071 178.996 177.584 -1.097 0.000 1.186 221 A CA 2.423 53.934 52.037 -0.877 0.000 0.620 221 A CB -1.039 17.567 19.000 -0.657 0.000 0.822 221 A HN 0.528 nan 8.150 nan 0.000 0.443 222 N N 0.007 118.333 118.700 -0.622 0.000 2.137 222 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 222 N C 1.484 176.849 175.510 -0.242 0.000 1.017 222 N CA 1.922 54.780 53.050 -0.321 0.000 0.859 222 N CB -0.407 37.987 38.487 -0.155 0.000 1.002 222 N HN 0.496 nan 8.380 nan 0.000 0.428 223 L N -0.394 120.653 121.223 -0.294 0.000 2.109 223 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 223 L C 2.392 179.074 176.870 -0.312 0.000 1.086 223 L CA 1.467 56.178 54.840 -0.214 0.000 0.760 223 L CB -0.965 40.980 42.059 -0.190 0.000 0.910 223 L HN 0.426 nan 8.230 nan 0.000 0.437 224 T N -3.311 110.882 114.554 -0.601 0.000 2.929 224 T HA -0.212 4.138 4.350 -0.000 0.000 0.271 224 T C 1.589 176.150 174.700 -0.233 0.000 1.085 224 T CA 1.029 62.729 62.100 -0.666 0.000 1.125 224 T CB -0.435 67.739 68.868 -1.156 0.000 0.874 224 T HN 0.197 nan 8.240 nan 0.000 0.494 225 Y N 1.599 121.826 120.300 -0.121 0.000 2.544 225 Y HA 0.399 4.949 4.550 -0.000 0.000 0.286 225 Y C 1.610 177.558 175.900 0.081 0.000 1.141 225 Y CA -0.770 57.368 58.100 0.063 0.000 1.299 225 Y CB -0.199 38.297 38.460 0.060 0.000 1.030 225 Y HN 0.258 nan 8.280 nan 0.000 0.543 226 K N 0.258 120.752 120.400 0.158 0.000 2.583 226 K HA 0.578 4.898 4.320 -0.000 0.000 0.263 226 K C 0.282 176.947 176.600 0.108 0.000 1.038 226 K CA -0.322 56.044 56.287 0.132 0.000 1.031 226 K CB 1.071 33.637 32.500 0.109 0.000 1.399 226 K HN 0.037 nan 8.250 nan 0.000 0.531 227 S N -1.121 114.635 115.700 0.093 0.000 2.627 227 S HA 0.284 4.754 4.470 -0.000 0.000 0.283 227 S C 0.738 175.376 174.600 0.064 0.000 1.127 227 S CA -0.853 57.395 58.200 0.079 0.000 0.863 227 S CB 2.386 65.635 63.200 0.082 0.000 1.121 227 S HN 0.652 nan 8.310 nan 0.000 0.479 228 K N 0.984 121.417 120.400 0.056 0.000 2.001 228 K HA -0.026 4.294 4.320 -0.000 0.000 0.214 228 K C -1.076 175.552 176.600 0.047 0.000 1.050 228 K CA 2.061 58.378 56.287 0.050 0.000 0.934 228 K CB -1.446 31.080 32.500 0.043 0.000 0.718 228 K HN 0.454 nan 8.250 nan 0.000 0.443 229 P HA -0.204 nan 4.420 nan 0.000 0.216 229 P C 0.907 178.226 177.300 0.033 0.000 1.154 229 P CA 2.124 65.240 63.100 0.027 0.000 0.865 229 P CB -0.117 31.593 31.700 0.017 0.000 0.789 230 A N -1.112 121.735 122.820 0.044 0.000 1.877 230 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 230 A C 2.127 179.741 177.584 0.050 0.000 1.186 230 A CA 1.938 54.003 52.037 0.046 0.000 0.620 230 A CB -1.360 17.680 19.000 0.066 0.000 0.822 230 A HN 0.041 nan 8.150 nan 0.000 0.443 231 M N -0.024 119.620 119.600 0.074 0.000 2.175 231 M HA -0.083 4.396 4.480 -0.000 0.000 0.264 231 M C 1.236 177.613 176.300 0.129 0.000 1.063 231 M CA 1.199 56.567 55.300 0.113 0.000 1.119 231 M CB -1.464 31.204 32.600 0.114 0.000 1.377 231 M HN 0.327 nan 8.290 nan 0.000 0.415 232 D N 0.341 120.796 120.400 0.091 0.000 2.178 232 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 232 D C 1.944 178.303 176.300 0.097 0.000 0.974 232 D CA 0.955 55.013 54.000 0.097 0.000 0.841 232 D CB -0.111 40.724 40.800 0.059 0.000 0.953 232 D HN 0.482 nan 8.370 nan 0.000 0.478 233 E N 0.149 120.377 120.200 0.047 0.000 2.107 233 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 233 E C 2.110 178.709 176.600 -0.002 0.000 0.982 233 E CA 0.461 56.878 56.400 0.028 0.000 0.809 233 E CB 0.139 29.833 29.700 -0.009 0.000 0.756 233 E HN 0.183 nan 8.360 nan 0.000 0.459 234 R N -0.561 119.868 120.500 -0.118 0.000 2.119 234 R HA 0.044 4.384 4.340 -0.000 0.000 0.222 234 R C -0.022 175.740 176.300 -0.896 0.000 1.088 234 R CA 0.698 56.504 56.100 -0.491 0.000 0.984 234 R CB 0.283 30.254 30.300 -0.549 0.000 0.884 234 R HN -0.026 nan 8.270 nan 0.000 0.447 235 F N 0.169 120.072 119.950 -0.077 0.000 2.562 235 F HA 0.296 4.823 4.527 -0.000 0.000 0.319 235 F C -0.422 175.361 175.800 -0.028 0.000 1.154 235 F CA -1.200 56.721 58.000 -0.132 0.000 0.931 235 F CB 1.720 40.636 39.000 -0.140 0.000 1.198 235 F HN 0.060 nan 8.300 nan 0.000 0.444 236 H N 0.203 119.328 119.070 0.091 0.000 3.037 236 H HA 0.696 5.252 4.556 -0.000 0.000 0.355 236 H C -0.968 174.385 175.328 0.042 0.000 1.263 236 H CA -1.329 54.749 56.048 0.051 0.000 1.129 236 H CB 1.058 30.826 29.762 0.011 0.000 1.861 236 H HN 0.488 nan 8.280 nan 0.000 0.546 270 P HA 0.121 nan 4.420 nan 0.000 0.274 270 P C 0.884 178.242 177.300 0.096 0.000 1.237 270 P CA -0.186 62.892 63.100 -0.037 0.000 0.793 270 P CB 0.672 32.360 31.700 -0.020 0.000 0.977 271 I N 0.901 121.502 120.570 0.052 0.000 2.335 271 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 271 I C 1.690 177.803 176.117 -0.006 0.000 1.129 271 I CA 1.729 63.051 61.300 0.036 0.000 1.402 271 I CB -1.538 36.474 38.000 0.020 0.000 1.069 271 I HN 0.379 nan 8.210 nan 0.000 0.424 272 E N 0.931 121.137 120.200 0.011 0.000 2.274 272 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 272 E C 2.121 178.725 176.600 0.007 0.000 0.996 272 E CA 0.933 57.334 56.400 0.001 0.000 0.840 272 E CB -0.253 29.453 29.700 0.009 0.000 0.772 272 E HN 0.448 nan 8.360 nan 0.000 0.491 273 A N 0.216 123.065 122.820 0.049 0.000 2.238 273 A HA 0.011 4.331 4.320 -0.000 0.000 0.208 273 A C 2.096 179.672 177.584 -0.015 0.000 1.177 273 A CA 0.275 52.372 52.037 0.100 0.000 0.804 273 A CB -0.162 18.977 19.000 0.233 0.000 0.823 273 A HN 0.131 nan 8.150 nan 0.000 0.482 274 V N -0.429 119.326 119.914 -0.265 0.000 2.343 274 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 274 V C 2.815 178.812 176.094 -0.162 0.000 1.051 274 V CA 2.269 64.245 62.300 -0.540 0.000 1.036 274 V CB -0.687 30.834 31.823 -0.503 0.000 0.654 274 V HN 0.692 nan 8.190 nan 0.000 0.451 275 S N -0.430 115.220 115.700 -0.084 0.000 2.359 275 S HA -0.293 4.177 4.470 -0.000 0.000 0.223 275 S C 2.363 176.972 174.600 0.016 0.000 1.039 275 S CA 2.498 60.681 58.200 -0.028 0.000 1.042 275 S CB -0.519 62.670 63.200 -0.018 0.000 0.915 275 S HN 0.603 nan 8.310 nan 0.000 0.439 276 S N -0.715 115.013 115.700 0.047 0.000 2.359 276 S HA -0.186 4.284 4.470 -0.000 0.000 0.224 276 S C 1.725 176.413 174.600 0.146 0.000 1.035 276 S CA 1.692 59.943 58.200 0.086 0.000 1.018 276 S CB -0.909 62.342 63.200 0.085 0.000 0.876 276 S HN 0.761 nan 8.310 nan 0.000 0.448 277 Y N 1.731 122.058 120.300 0.045 0.000 2.128 277 Y HA -0.136 4.414 4.550 -0.000 0.000 0.284 277 Y C 1.914 177.870 175.900 0.093 0.000 1.154 277 Y CA 1.999 60.164 58.100 0.109 0.000 1.149 277 Y CB -0.378 38.152 38.460 0.117 0.000 0.976 277 Y HN 0.269 nan 8.280 nan 0.000 0.505 278 L N -0.205 120.983 121.223 -0.060 0.000 2.027 278 L HA -0.217 4.122 4.340 -0.000 0.000 0.206 278 L C 2.718 179.518 176.870 -0.117 0.000 1.074 278 L CA 1.140 55.884 54.840 -0.160 0.000 0.745 278 L CB -0.580 41.442 42.059 -0.061 0.000 0.898 278 L HN 0.139 nan 8.230 nan 0.000 0.433 279 R N -0.495 119.986 120.500 -0.033 0.000 2.091 279 R HA -0.223 4.116 4.340 -0.000 0.000 0.238 279 R C 2.167 178.474 176.300 0.012 0.000 1.136 279 R CA 1.747 57.843 56.100 -0.007 0.000 0.959 279 R CB -1.056 29.260 30.300 0.027 0.000 0.856 279 R HN 0.396 nan 8.270 nan 0.000 0.437 280 Y N 2.136 122.393 120.300 -0.073 0.000 2.145 280 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 280 Y C 2.525 178.375 175.900 -0.083 0.000 1.145 280 Y CA 1.592 59.658 58.100 -0.056 0.000 1.148 280 Y CB -0.037 38.407 38.460 -0.027 0.000 0.981 280 Y HN -0.004 nan 8.280 nan 0.000 0.507 281 Q N 0.354 120.045 119.800 -0.182 0.000 2.061 281 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 281 Q C 2.525 178.400 176.000 -0.208 0.000 0.984 281 Q CA 1.668 57.312 55.803 -0.264 0.000 0.846 281 Q CB -0.870 27.661 28.738 -0.345 0.000 0.902 281 Q HN 0.658 nan 8.270 nan 0.000 0.421 282 A N 0.626 123.349 122.820 -0.160 0.000 1.873 282 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 282 A C 2.130 179.690 177.584 -0.040 0.000 1.186 282 A CA 1.551 53.538 52.037 -0.083 0.000 0.616 282 A CB -0.566 18.383 19.000 -0.084 0.000 0.823 282 A HN 0.342 nan 8.150 nan 0.000 0.442 283 Q N -0.480 119.265 119.800 -0.091 0.000 2.096 283 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 283 Q C 2.158 178.092 176.000 -0.111 0.000 0.982 283 Q CA 2.029 57.782 55.803 -0.084 0.000 0.850 283 Q CB -0.179 28.514 28.738 -0.077 0.000 0.901 283 Q HN 0.713 nan 8.270 nan 0.000 0.422 284 K N -0.125 120.145 120.400 -0.217 0.000 2.032 284 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 284 K C 1.850 178.432 176.600 -0.029 0.000 1.048 284 K CA 1.468 57.631 56.287 -0.207 0.000 0.927 284 K CB -0.230 32.028 32.500 -0.405 0.000 0.712 284 K HN 0.211 nan 8.250 nan 0.000 0.441 285 F N 0.899 120.776 119.950 -0.122 0.000 2.113 285 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 285 F C 1.980 177.780 175.800 0.001 0.000 1.103 285 F CA 1.435 59.402 58.000 -0.054 0.000 1.248 285 F CB -0.311 38.619 39.000 -0.116 0.000 0.999 285 F HN 0.084 nan 8.300 nan 0.000 0.475 286 A N 0.390 123.155 122.820 -0.091 0.000 2.019 286 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 286 A C 2.240 179.752 177.584 -0.120 0.000 1.164 286 A CA 1.473 53.413 52.037 -0.160 0.000 0.644 286 A CB -1.414 17.561 19.000 -0.042 0.000 0.805 286 A HN 0.513 nan 8.150 nan 0.000 0.449 287 A N -0.297 122.481 122.820 -0.070 0.000 2.119 287 A HA 0.128 4.448 4.320 -0.000 0.000 0.216 287 A C 2.015 179.627 177.584 0.046 0.000 1.152 287 A CA 1.684 53.712 52.037 -0.016 0.000 0.708 287 A CB -0.372 18.617 19.000 -0.020 0.000 0.805 287 A HN 1.044 nan 8.150 nan 0.000 0.460 288 S N -2.848 112.878 115.700 0.043 0.000 2.730 288 S HA 0.542 5.012 4.470 -0.000 0.000 0.244 288 S C -0.265 174.535 174.600 0.334 0.000 1.022 288 S CA -0.560 57.765 58.200 0.208 0.000 1.014 288 S CB -0.272 63.032 63.200 0.172 0.000 0.963 288 S HN 0.243 nan 8.310 nan 0.000 0.540 289 F N 1.225 121.074 119.950 -0.168 0.000 2.626 289 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 289 F C -1.265 174.191 175.800 -0.574 0.000 1.088 289 F CA -0.801 56.885 58.000 -0.524 0.000 0.949 289 F CB 1.822 40.348 39.000 -0.790 0.000 1.322 289 F HN 0.096 nan 8.300 nan 0.000 0.461 290 D N 1.902 121.635 120.400 -1.112 0.000 2.163 290 D HA 0.547 5.187 4.640 -0.000 0.000 0.248 290 D C 0.386 176.635 176.300 -0.086 0.000 1.035 290 D CA 0.083 53.725 54.000 -0.596 0.000 0.872 290 D CB 2.087 42.385 40.800 -0.836 0.000 1.183 290 D HN 0.629 nan 8.370 nan 0.000 0.445 291 A N 3.772 126.648 122.820 0.095 0.000 1.855 291 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 291 A C 1.888 179.688 177.584 0.360 0.000 1.191 291 A CA 1.067 53.232 52.037 0.212 0.000 0.613 291 A CB -0.606 18.419 19.000 0.041 0.000 0.829 291 A HN 0.703 nan 8.150 nan 0.000 0.442 292 N N 0.208 119.169 118.700 0.435 0.000 2.061 292 N HA -0.177 4.562 4.740 -0.000 0.000 0.193 292 N C 1.764 177.398 175.510 0.208 0.000 1.030 292 N CA 1.824 55.081 53.050 0.345 0.000 0.856 292 N CB -0.951 37.687 38.487 0.251 0.000 1.023 292 N HN 0.557 nan 8.380 nan 0.000 0.424 293 C N -0.074 119.266 119.300 0.068 0.000 2.425 293 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 293 C C 2.493 177.636 174.990 0.256 0.000 1.280 293 C CA -0.122 58.894 59.018 -0.002 0.000 1.744 293 C CB -1.419 26.099 27.740 -0.372 0.000 1.989 293 C HN 0.441 nan 8.230 nan 0.000 0.491 294 Y N 1.484 121.990 120.300 0.343 0.000 2.145 294 Y HA -0.165 4.385 4.550 -0.000 0.000 0.286 294 Y C 2.262 178.309 175.900 0.245 0.000 1.145 294 Y CA 1.646 60.004 58.100 0.429 0.000 1.148 294 Y CB -0.272 38.443 38.460 0.426 0.000 0.981 294 Y HN 0.243 nan 8.280 nan 0.000 0.507 295 I N -0.104 120.640 120.570 0.291 0.000 2.099 295 I HA -0.405 3.765 4.170 -0.000 0.000 0.239 295 I C 2.717 178.910 176.117 0.127 0.000 1.066 295 I CA 1.411 62.834 61.300 0.206 0.000 1.324 295 I CB -0.920 37.267 38.000 0.312 0.000 1.037 295 I HN 0.315 nan 8.210 nan 0.000 0.401 296 A N 0.850 123.759 122.820 0.148 0.000 1.884 296 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 296 A C 2.387 179.990 177.584 0.032 0.000 1.197 296 A CA 2.260 54.368 52.037 0.118 0.000 0.637 296 A CB -0.714 18.376 19.000 0.149 0.000 0.827 296 A HN 0.405 nan 8.150 nan 0.000 0.450 297 M N -0.318 119.277 119.600 -0.008 0.000 2.132 297 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 297 M C 2.396 178.492 176.300 -0.341 0.000 1.065 297 M CA 2.029 57.251 55.300 -0.130 0.000 1.122 297 M CB -1.223 31.351 32.600 -0.044 0.000 1.365 297 M HN 0.731 nan 8.290 nan 0.000 0.411 298 T N -0.465 113.905 114.554 -0.307 0.000 2.867 298 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 298 T C 1.824 176.455 174.700 -0.116 0.000 1.057 298 T CA 0.787 62.718 62.100 -0.282 0.000 1.136 298 T CB -0.745 68.028 68.868 -0.158 0.000 0.874 298 T HN 0.326 nan 8.240 nan 0.000 0.466 299 L N 0.396 121.584 121.223 -0.057 0.000 2.261 299 L HA -0.071 4.269 4.340 -0.000 0.000 0.216 299 L C 2.897 179.738 176.870 -0.049 0.000 1.114 299 L CA 1.308 56.150 54.840 0.003 0.000 0.777 299 L CB -0.497 41.588 42.059 0.043 0.000 0.910 299 L HN 0.302 nan 8.230 nan 0.000 0.440 300 K N -0.581 119.714 120.400 -0.175 0.000 2.097 300 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 300 K C 1.994 178.485 176.600 -0.181 0.000 1.049 300 K CA 1.208 57.358 56.287 -0.228 0.000 0.933 300 K CB -0.160 32.109 32.500 -0.385 0.000 0.717 300 K HN 0.092 nan 8.250 nan 0.000 0.442 301 F N 2.075 121.938 119.950 -0.145 0.000 2.154 301 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 301 F C 1.880 177.676 175.800 -0.006 0.000 1.087 301 F CA 1.331 59.266 58.000 -0.109 0.000 1.274 301 F CB -0.413 38.465 39.000 -0.203 0.000 1.009 301 F HN 0.061 nan 8.300 nan 0.000 0.485 302 D N -1.021 119.480 120.400 0.168 0.000 2.269 302 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 302 D C 2.137 178.481 176.300 0.073 0.000 0.963 302 D CA 1.728 55.800 54.000 0.119 0.000 0.864 302 D CB -0.523 40.333 40.800 0.093 0.000 0.936 302 D HN 0.353 nan 8.370 nan 0.000 0.505 303 T N -2.526 112.055 114.554 0.046 0.000 3.069 303 T HA 0.000 4.350 4.350 -0.000 0.000 0.252 303 T C 0.641 175.347 174.700 0.010 0.000 1.053 303 T CA -0.466 61.638 62.100 0.006 0.000 0.964 303 T CB -0.290 68.562 68.868 -0.027 0.000 1.005 303 T HN -0.009 nan 8.240 nan 0.000 0.532 304 H N 2.286 121.327 119.070 -0.048 0.000 2.929 304 H HA 0.472 5.027 4.556 -0.000 0.000 0.317 304 H C -0.847 174.452 175.328 -0.048 0.000 1.031 304 H CA 0.148 56.155 56.048 -0.067 0.000 1.466 304 H CB 0.254 30.000 29.762 -0.027 0.000 1.482 304 H HN 0.242 nan 8.280 nan 0.000 0.561 305 D N 4.681 124.781 120.400 -0.501 0.000 2.301 305 D HA -0.030 4.610 4.640 -0.000 0.000 0.203 305 D C 0.770 176.831 176.300 -0.398 0.000 1.300 305 D CA -0.399 53.328 54.000 -0.454 0.000 0.899 305 D CB 0.056 40.719 40.800 -0.228 0.000 1.597 305 D HN 0.648 nan 8.370 nan 0.000 0.538 306 I N 1.168 121.498 120.570 -0.400 0.000 3.176 306 I HA 0.013 4.182 4.170 -0.000 0.000 0.275 306 I C 1.252 177.144 176.117 -0.376 0.000 1.298 306 I CA 0.993 62.081 61.300 -0.352 0.000 1.445 306 I CB -0.080 37.843 38.000 -0.128 0.000 1.075 306 I HN 0.198 nan 8.210 nan 0.000 0.482 307 S N 1.955 117.508 115.700 -0.244 0.000 2.486 307 S HA 0.065 4.535 4.470 -0.000 0.000 0.220 307 S C 1.203 175.694 174.600 -0.180 0.000 1.011 307 S CA -0.605 57.488 58.200 -0.179 0.000 0.921 307 S CB -0.351 62.788 63.200 -0.102 0.000 0.785 307 S HN 0.647 nan 8.310 nan 0.000 0.517 308 R N 1.166 121.552 120.500 -0.190 0.000 2.484 308 R HA 0.465 4.805 4.340 -0.000 0.000 0.293 308 R C 1.175 177.380 176.300 -0.159 0.000 1.023 308 R CA 0.469 56.478 56.100 -0.151 0.000 1.037 308 R CB -0.594 29.625 30.300 -0.133 0.000 0.951 308 R HN 0.373 nan 8.270 nan 0.000 0.418 309 G N 2.545 111.274 108.800 -0.118 0.000 2.189 309 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 309 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 309 G C 0.795 175.631 174.900 -0.106 0.000 0.975 309 G CA 0.604 45.641 45.100 -0.105 0.000 0.644 309 G HN 0.722 nan 8.290 nan 0.000 0.537 310 R N -0.692 119.736 120.500 -0.120 0.000 2.428 310 R HA 0.631 4.971 4.340 -0.000 0.000 0.193 310 R C 0.856 177.127 176.300 -0.048 0.000 0.852 310 R CA 0.853 56.894 56.100 -0.098 0.000 1.055 310 R CB 0.668 30.861 30.300 -0.179 0.000 1.343 310 R HN 0.899 nan 8.270 nan 0.000 0.655 311 A N -0.424 122.364 122.820 -0.054 0.000 2.594 311 A HA 0.584 4.904 4.320 -0.000 0.000 0.291 311 A C 0.304 177.871 177.584 -0.030 0.000 1.105 311 A CA -0.209 51.814 52.037 -0.023 0.000 0.694 311 A CB 1.289 20.289 19.000 0.001 0.000 1.291 311 A HN 0.154 nan 8.150 nan 0.000 0.410 312 G N -0.315 108.474 108.800 -0.017 0.000 2.623 312 G HA2 0.381 4.341 3.960 -0.000 0.000 0.214 312 G HA3 0.381 4.341 3.960 -0.000 0.000 0.214 312 G C 0.601 175.490 174.900 -0.019 0.000 1.138 312 G CA 1.318 46.407 45.100 -0.018 0.000 0.794 312 G HN 1.781 nan 8.290 nan 0.000 0.535 313 S N -1.545 114.146 115.700 -0.015 0.000 2.625 313 S HA 0.511 4.981 4.470 -0.000 0.000 0.271 313 S C 0.713 175.305 174.600 -0.012 0.000 1.161 313 S CA -0.778 57.413 58.200 -0.014 0.000 0.820 313 S CB 1.033 64.229 63.200 -0.006 0.000 1.137 313 S HN -0.208 nan 8.310 nan 0.000 0.470 314 I N 1.175 121.737 120.570 -0.014 0.000 2.179 314 I HA 0.015 4.185 4.170 -0.000 0.000 0.242 314 I C -0.831 175.295 176.117 0.016 0.000 1.088 314 I CA 0.744 62.040 61.300 -0.007 0.000 1.357 314 I CB -2.674 35.317 38.000 -0.015 0.000 1.051 314 I HN 0.523 nan 8.210 nan 0.000 0.409 315 P HA -0.153 nan 4.420 nan 0.000 0.218 315 P C 1.495 178.813 177.300 0.030 0.000 1.148 315 P CA 1.422 64.533 63.100 0.019 0.000 0.822 315 P CB -0.010 31.696 31.700 0.010 0.000 0.784 316 E N -0.586 119.631 120.200 0.028 0.000 2.107 316 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 316 E C 2.114 178.755 176.600 0.069 0.000 0.982 316 E CA 1.007 57.429 56.400 0.037 0.000 0.809 316 E CB -0.495 29.219 29.700 0.024 0.000 0.756 316 E HN 0.140 nan 8.360 nan 0.000 0.459 317 A N 1.248 124.116 122.820 0.080 0.000 1.877 317 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 317 A C 2.187 179.921 177.584 0.250 0.000 1.186 317 A CA 1.011 53.150 52.037 0.170 0.000 0.620 317 A CB -0.680 18.375 19.000 0.093 0.000 0.822 317 A HN 0.130 nan 8.150 nan 0.000 0.443 318 L N -0.639 120.675 121.223 0.151 0.000 2.042 318 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 318 L C 3.045 179.945 176.870 0.050 0.000 1.076 318 L CA 1.148 56.049 54.840 0.101 0.000 0.749 318 L CB -0.502 41.593 42.059 0.059 0.000 0.893 318 L HN 0.446 nan 8.230 nan 0.000 0.432 319 A N -0.443 122.408 122.820 0.050 0.000 2.070 319 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 319 A C 2.176 179.774 177.584 0.023 0.000 1.159 319 A CA 1.537 53.592 52.037 0.030 0.000 0.656 319 A CB -0.525 18.494 19.000 0.032 0.000 0.800 319 A HN 0.434 nan 8.150 nan 0.000 0.453 320 M N -0.544 119.085 119.600 0.049 0.000 2.686 320 M HA 0.152 4.632 4.480 -0.000 0.000 0.246 320 M C -0.246 175.978 176.300 -0.126 0.000 1.096 320 M CA 0.610 55.926 55.300 0.028 0.000 1.076 320 M CB -0.161 32.543 32.600 0.173 0.000 1.504 320 M HN 0.207 nan 8.290 nan 0.000 0.524 321 I N 0.498 120.963 120.570 -0.175 0.000 2.281 321 I HA 0.033 4.203 4.170 -0.000 0.000 0.293 321 I C 0.913 176.966 176.117 -0.106 0.000 1.085 321 I CA -0.050 61.099 61.300 -0.252 0.000 1.257 321 I CB 0.900 38.750 38.000 -0.250 0.000 1.430 321 I HN 0.017 nan 8.210 nan 0.000 0.489 322 T N 3.675 118.180 114.554 -0.082 0.000 3.037 322 T HA 0.037 4.386 4.350 -0.000 0.000 0.251 322 T C 0.796 175.499 174.700 0.004 0.000 1.079 322 T CA 0.135 62.222 62.100 -0.023 0.000 1.067 322 T CB -0.031 68.832 68.868 -0.008 0.000 0.948 322 T HN 0.494 nan 8.240 nan 0.000 0.496 323 Q N 2.192 121.994 119.800 0.005 0.000 2.395 323 Q HA 0.181 4.521 4.340 -0.000 0.000 0.271 323 Q C -2.483 173.563 176.000 0.076 0.000 1.026 323 Q CA -1.029 54.798 55.803 0.041 0.000 0.900 323 Q CB -0.092 28.676 28.738 0.050 0.000 1.266 323 Q HN 0.136 nan 8.270 nan 0.000 0.430 324 P HA 0.091 nan 4.420 nan 0.000 0.266 324 P C -1.479 176.019 177.300 0.330 0.000 1.195 324 P CA 0.262 63.494 63.100 0.219 0.000 0.768 324 P CB 0.679 32.514 31.700 0.225 0.000 0.838 325 A N 3.149 126.089 122.820 0.200 0.000 2.422 325 A HA 0.641 4.961 4.320 -0.000 0.000 0.302 325 A C -1.611 175.763 177.584 -0.350 0.000 1.041 325 A CA -0.596 51.439 52.037 -0.003 0.000 0.708 325 A CB 1.028 20.029 19.000 0.002 0.000 1.257 325 A HN 0.496 nan 8.150 nan 0.000 0.414 326 L N 3.254 124.059 121.223 -0.696 0.000 2.319 326 L HA 0.696 5.036 4.340 -0.000 0.000 0.281 326 L C -1.198 175.497 176.870 -0.292 0.000 1.005 326 L CA -0.269 54.143 54.840 -0.712 0.000 0.828 326 L CB 0.741 42.073 42.059 -1.212 0.000 1.227 326 L HN 0.561 nan 8.230 nan 0.000 0.415 327 I N 6.475 126.957 120.570 -0.146 0.000 2.321 327 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 327 I C -0.368 175.751 176.117 0.004 0.000 0.998 327 I CA -0.158 61.137 61.300 -0.009 0.000 1.227 327 I CB 1.020 39.048 38.000 0.048 0.000 1.368 327 I HN 0.466 nan 8.210 nan 0.000 0.466 328 I N 6.553 127.154 120.570 0.052 0.000 2.433 328 I HA 0.558 4.728 4.170 -0.000 0.000 0.292 328 I C -0.250 175.912 176.117 0.075 0.000 1.001 328 I CA -0.568 60.781 61.300 0.081 0.000 1.119 328 I CB 1.619 39.711 38.000 0.153 0.000 1.289 328 I HN 0.704 nan 8.210 nan 0.000 0.438 329 C N 3.242 122.514 119.300 -0.046 0.000 3.318 329 C HA 0.973 5.433 4.460 -0.000 0.000 0.322 329 C C -0.623 174.075 174.990 -0.486 0.000 1.398 329 C CA -0.673 58.193 59.018 -0.254 0.000 1.339 329 C CB 1.256 28.605 27.740 -0.652 0.000 1.668 329 C HN 0.920 nan 8.230 nan 0.000 0.462 330 A N 0.708 123.146 122.820 -0.637 0.000 2.371 330 A HA 0.748 5.068 4.320 -0.000 0.000 0.311 330 A C 0.687 178.191 177.584 -0.133 0.000 1.068 330 A CA -0.770 50.926 52.037 -0.569 0.000 0.744 330 A CB 0.861 19.290 19.000 -0.952 0.000 1.239 330 A HN 0.934 nan 8.150 nan 0.000 0.435 331 R N 1.108 121.539 120.500 -0.115 0.000 2.200 331 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 331 R C 1.480 177.771 176.300 -0.016 0.000 1.127 331 R CA 1.717 57.760 56.100 -0.096 0.000 0.989 331 R CB -0.093 30.016 30.300 -0.317 0.000 0.869 331 R HN 0.779 nan 8.270 nan 0.000 0.459 332 S N -0.033 115.656 115.700 -0.018 0.000 2.575 332 S HA -0.008 4.462 4.470 -0.000 0.000 0.215 332 S C 0.378 175.054 174.600 0.127 0.000 0.966 332 S CA -0.444 57.780 58.200 0.040 0.000 0.911 332 S CB 0.133 63.349 63.200 0.026 0.000 0.780 332 S HN 0.051 nan 8.310 nan 0.000 0.514 333 D N 2.185 122.695 120.400 0.183 0.000 2.382 333 D HA 0.226 4.866 4.640 -0.000 0.000 0.259 333 D C 1.133 177.592 176.300 0.265 0.000 1.224 333 D CA 0.283 54.478 54.000 0.325 0.000 0.894 333 D CB 1.059 42.137 40.800 0.463 0.000 1.127 333 D HN 0.299 nan 8.370 nan 0.000 0.487 334 G N 3.173 112.118 108.800 0.242 0.000 2.880 334 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.209 334 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.209 334 G C 1.444 176.524 174.900 0.300 0.000 1.157 334 G CA 0.086 45.319 45.100 0.222 0.000 0.779 334 G HN 0.526 nan 8.290 nan 0.000 0.539 335 L N -1.592 119.718 121.223 0.145 0.000 2.445 335 L HA 0.355 4.695 4.340 -0.000 0.000 0.207 335 L C -0.117 176.535 176.870 -0.363 0.000 1.053 335 L CA 0.148 54.910 54.840 -0.129 0.000 0.841 335 L CB 0.448 42.192 42.059 -0.525 0.000 1.074 335 L HN 0.074 nan 8.230 nan 0.000 0.479 336 Y N 0.377 120.834 120.300 0.262 0.000 2.338 336 Y HA 0.288 4.838 4.550 -0.000 0.000 0.328 336 Y C 0.538 176.657 175.900 0.364 0.000 0.965 336 Y CA -1.078 57.204 58.100 0.303 0.000 1.208 336 Y CB 1.429 40.118 38.460 0.381 0.000 1.132 336 Y HN -0.082 nan 8.280 nan 0.000 0.469 337 S N 2.278 118.189 115.700 0.353 0.000 2.601 337 S HA 0.140 4.610 4.470 -0.000 0.000 0.271 337 S C 0.814 175.666 174.600 0.420 0.000 1.305 337 S CA -0.652 57.728 58.200 0.300 0.000 1.022 337 S CB 0.661 63.955 63.200 0.157 0.000 0.940 337 S HN 0.692 nan 8.310 nan 0.000 0.525 338 F N 1.703 121.780 119.950 0.212 0.000 2.126 338 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 338 F C 1.658 177.561 175.800 0.172 0.000 1.096 338 F CA 2.052 60.159 58.000 0.178 0.000 1.255 338 F CB -0.540 38.502 39.000 0.069 0.000 0.997 338 F HN 0.628 nan 8.300 nan 0.000 0.479 339 D N 0.460 120.921 120.400 0.102 0.000 2.149 339 D HA -0.239 4.401 4.640 -0.000 0.000 0.198 339 D C 2.182 178.445 176.300 -0.062 0.000 0.990 339 D CA 1.779 55.766 54.000 -0.022 0.000 0.839 339 D CB -0.533 40.303 40.800 0.061 0.000 0.948 339 D HN 0.717 nan 8.370 nan 0.000 0.460 340 E N -0.152 120.045 120.200 -0.004 0.000 2.208 340 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 340 E C 1.540 178.048 176.600 -0.153 0.000 0.988 340 E CA 0.930 57.294 56.400 -0.059 0.000 0.828 340 E CB -0.356 29.328 29.700 -0.028 0.000 0.763 340 E HN 0.389 nan 8.360 nan 0.000 0.478 341 H N 0.554 119.592 119.070 -0.053 0.000 2.363 341 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 341 H C 2.204 177.424 175.328 -0.180 0.000 1.074 341 H CA 1.560 57.554 56.048 -0.090 0.000 1.354 341 H CB 0.001 29.719 29.762 -0.075 0.000 1.397 341 H HN -0.013 nan 8.280 nan 0.000 0.516 342 V N 0.988 120.767 119.914 -0.225 0.000 2.287 342 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 342 V C 2.373 178.402 176.094 -0.108 0.000 1.053 342 V CA 2.281 64.438 62.300 -0.239 0.000 1.027 342 V CB -0.505 31.108 31.823 -0.349 0.000 0.646 342 V HN 0.557 nan 8.190 nan 0.000 0.447 343 E N -0.132 120.017 120.200 -0.086 0.000 2.070 343 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 343 E C 2.247 178.828 176.600 -0.032 0.000 1.004 343 E CA 2.065 58.437 56.400 -0.047 0.000 0.805 343 E CB -0.253 29.425 29.700 -0.037 0.000 0.744 343 E HN 0.565 nan 8.360 nan 0.000 0.451 344 M N 0.251 119.830 119.600 -0.035 0.000 2.082 344 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 344 M C 2.435 178.731 176.300 -0.007 0.000 1.069 344 M CA 1.938 57.231 55.300 -0.012 0.000 1.102 344 M CB -0.543 32.054 32.600 -0.004 0.000 1.336 344 M HN 0.346 nan 8.290 nan 0.000 0.404 345 G N -0.548 108.242 108.800 -0.018 0.000 2.443 345 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 345 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 345 G C 1.673 176.566 174.900 -0.013 0.000 1.131 345 G CA 0.450 45.539 45.100 -0.018 0.000 0.775 345 G HN 0.380 nan 8.290 nan 0.000 0.547 346 R N 0.102 120.592 120.500 -0.016 0.000 2.090 346 R HA 0.030 4.370 4.340 -0.000 0.000 0.228 346 R C 2.650 178.950 176.300 -0.000 0.000 1.110 346 R CA 1.397 57.492 56.100 -0.008 0.000 0.973 346 R CB -0.065 30.229 30.300 -0.011 0.000 0.869 346 R HN 0.333 nan 8.270 nan 0.000 0.440 347 S N 0.209 115.910 115.700 0.002 0.000 2.470 347 S HA 0.182 4.652 4.470 -0.000 0.000 0.222 347 S C 0.807 175.413 174.600 0.011 0.000 1.024 347 S CA -0.002 58.204 58.200 0.009 0.000 0.931 347 S CB 0.359 63.567 63.200 0.013 0.000 0.791 347 S HN 0.108 nan 8.310 nan 0.000 0.513 348 I N 4.299 124.873 120.570 0.008 0.000 2.421 348 I HA 0.095 4.265 4.170 -0.000 0.000 0.291 348 I C -1.392 174.729 176.117 0.007 0.000 1.089 348 I CA -1.742 59.561 61.300 0.004 0.000 1.354 348 I CB 1.036 39.038 38.000 0.002 0.000 1.413 348 I HN 0.048 nan 8.210 nan 0.000 0.513 349 P HA -0.132 nan 4.420 nan 0.000 0.218 349 P C -0.000 177.312 177.300 0.020 0.000 1.149 349 P CA 1.369 64.478 63.100 0.013 0.000 0.817 349 P CB 0.157 31.864 31.700 0.013 0.000 0.785 350 N N 0.434 119.150 118.700 0.026 0.000 3.012 350 N HA 0.172 4.912 4.740 -0.000 0.000 0.270 350 N C -0.321 175.219 175.510 0.051 0.000 1.469 350 N CA 0.036 53.112 53.050 0.043 0.000 0.928 350 N CB 0.887 39.406 38.487 0.053 0.000 1.219 350 N HN 0.149 nan 8.380 nan 0.000 0.492 351 S N 0.319 116.036 115.700 0.028 0.000 2.568 351 S HA 0.681 5.151 4.470 -0.000 0.000 0.293 351 S C -0.386 174.208 174.600 -0.010 0.000 1.089 351 S CA -0.937 57.264 58.200 0.002 0.000 0.945 351 S CB 3.002 66.196 63.200 -0.010 0.000 1.077 351 S HN 0.457 nan 8.310 nan 0.000 0.485 352 R N 0.769 121.236 120.500 -0.056 0.000 2.628 352 R HA 0.644 4.984 4.340 -0.000 0.000 0.288 352 R C -1.900 174.356 176.300 -0.074 0.000 0.980 352 R CA -0.898 55.172 56.100 -0.049 0.000 0.891 352 R CB 1.356 31.633 30.300 -0.039 0.000 1.188 352 R HN 0.695 nan 8.270 nan 0.000 0.450 353 L N 4.664 125.865 121.223 -0.036 0.000 2.292 353 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 353 L C -1.135 175.727 176.870 -0.013 0.000 1.065 353 L CA -0.208 54.617 54.840 -0.025 0.000 0.806 353 L CB 1.348 43.398 42.059 -0.015 0.000 1.175 353 L HN 0.763 nan 8.230 nan 0.000 0.431 354 C N 6.144 125.435 119.300 -0.016 0.000 2.271 354 C HA 0.686 5.146 4.460 -0.000 0.000 0.323 354 C C -0.418 174.582 174.990 0.017 0.000 1.245 354 C CA -0.644 58.374 59.018 0.001 0.000 1.548 354 C CB 0.089 27.822 27.740 -0.011 0.000 2.214 354 C HN 0.605 nan 8.230 nan 0.000 0.477 355 V N 7.737 127.671 119.914 0.033 0.000 2.350 355 V HA 0.298 4.418 4.120 -0.000 0.000 0.276 355 V C 0.240 176.313 176.094 -0.035 0.000 1.028 355 V CA -0.358 61.957 62.300 0.025 0.000 0.860 355 V CB 1.236 33.128 31.823 0.116 0.000 0.990 355 V HN 0.708 nan 8.190 nan 0.000 0.453 356 V N 3.939 123.787 119.914 -0.108 0.000 2.488 356 V HA 0.146 4.266 4.120 -0.000 0.000 0.277 356 V C 0.327 176.351 176.094 -0.115 0.000 1.046 356 V CA -0.288 61.960 62.300 -0.086 0.000 0.986 356 V CB 1.449 33.245 31.823 -0.044 0.000 0.989 356 V HN 0.952 nan 8.190 nan 0.000 0.475 357 D N 3.896 124.263 120.400 -0.055 0.000 2.352 357 D HA 0.429 5.069 4.640 -0.000 0.000 0.245 357 D C -0.101 176.179 176.300 -0.034 0.000 1.224 357 D CA 0.564 54.532 54.000 -0.054 0.000 0.879 357 D CB 0.615 41.394 40.800 -0.035 0.000 1.057 357 D HN 0.727 nan 8.370 nan 0.000 0.491 358 T N 2.120 116.645 114.554 -0.049 0.000 2.775 358 T HA 0.275 4.625 4.350 -0.000 0.000 0.320 358 T C -0.493 174.198 174.700 -0.016 0.000 1.597 358 T CA -0.767 61.326 62.100 -0.011 0.000 1.022 358 T CB 0.601 69.488 68.868 0.032 0.000 1.485 358 T HN 0.353 nan 8.240 nan 0.000 0.494 359 N N 0.853 119.562 118.700 0.015 0.000 2.200 359 N HA 0.157 4.897 4.740 -0.000 0.000 0.224 359 N C 0.630 176.174 175.510 0.056 0.000 1.179 359 N CA -0.200 52.862 53.050 0.021 0.000 0.877 359 N CB 0.391 38.885 38.487 0.012 0.000 1.072 359 N HN 0.525 nan 8.380 nan 0.000 0.519 360 E N 0.639 120.893 120.200 0.090 0.000 2.427 360 E HA 0.110 4.460 4.350 -0.000 0.000 0.196 360 E C 0.985 177.684 176.600 0.165 0.000 1.028 360 E CA 0.687 57.163 56.400 0.125 0.000 0.864 360 E CB -0.264 29.526 29.700 0.150 0.000 0.813 360 E HN 0.563 nan 8.360 nan 0.000 0.514 361 G N 0.989 109.901 108.800 0.186 0.000 2.642 361 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.231 361 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.231 361 G C 0.516 175.665 174.900 0.416 0.000 1.338 361 G CA 0.379 45.631 45.100 0.254 0.000 0.883 361 G HN 0.382 nan 8.290 nan 0.000 0.570 362 H N 0.201 119.474 119.070 0.338 0.000 2.390 362 H HA -0.060 4.496 4.556 -0.000 0.000 0.298 362 H C 2.164 177.625 175.328 0.221 0.000 1.106 362 H CA 2.494 58.797 56.048 0.426 0.000 1.297 362 H CB -0.176 29.830 29.762 0.407 0.000 1.375 362 H HN 0.448 nan 8.280 nan 0.000 0.509 363 D N -0.277 120.103 120.400 -0.032 0.000 2.389 363 D HA -0.161 4.479 4.640 -0.000 0.000 0.221 363 D C 1.905 177.952 176.300 -0.422 0.000 0.974 363 D CA 0.867 54.640 54.000 -0.380 0.000 0.923 363 D CB -0.674 40.062 40.800 -0.107 0.000 0.892 363 D HN 0.627 nan 8.370 nan 0.000 0.518 364 F N 0.577 120.439 119.950 -0.146 0.000 2.192 364 F HA -0.253 4.274 4.527 -0.000 0.000 0.301 364 F C 1.875 177.677 175.800 0.003 0.000 1.079 364 F CA 0.858 58.840 58.000 -0.031 0.000 1.303 364 F CB -1.447 37.594 39.000 0.068 0.000 1.024 364 F HN 0.039 nan 8.300 nan 0.000 0.494 365 F N -0.064 119.225 119.950 -1.101 0.000 2.407 365 F HA 0.098 4.625 4.527 -0.000 0.000 0.299 365 F C 1.680 177.533 175.800 0.088 0.000 1.097 365 F CA 0.723 58.341 58.000 -0.637 0.000 1.422 365 F CB -1.508 37.124 39.000 -0.612 0.000 1.067 365 F HN -0.048 nan 8.300 nan 0.000 0.539 366 V N 0.635 120.249 119.914 -0.500 0.000 2.500 366 V HA -0.134 3.986 4.120 -0.000 0.000 0.243 366 V C 2.415 178.520 176.094 0.019 0.000 1.039 366 V CA 1.214 63.452 62.300 -0.104 0.000 1.053 366 V CB -0.320 31.304 31.823 -0.331 0.000 0.695 366 V HN 0.290 nan 8.190 nan 0.000 0.463 367 M N -0.276 119.291 119.600 -0.055 0.000 2.200 367 M HA 0.015 4.495 4.480 -0.000 0.000 0.265 367 M C 1.208 177.557 176.300 0.082 0.000 1.066 367 M CA 1.312 56.630 55.300 0.030 0.000 1.127 367 M CB -0.680 31.942 32.600 0.037 0.000 1.379 367 M HN 0.279 nan 8.290 nan 0.000 0.420 368 E N 0.534 120.808 120.200 0.122 0.000 2.405 368 E HA 0.351 4.701 4.350 -0.000 0.000 0.214 368 E C 1.370 178.048 176.600 0.131 0.000 1.101 368 E CA -0.066 56.422 56.400 0.147 0.000 1.254 368 E CB -0.063 29.779 29.700 0.237 0.000 1.240 368 E HN 0.268 nan 8.360 nan 0.000 0.439 369 A N 1.080 123.974 122.820 0.123 0.000 1.917 369 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 369 A C 1.680 179.236 177.584 -0.047 0.000 1.182 369 A CA 1.684 53.771 52.037 0.084 0.000 0.633 369 A CB -0.156 18.937 19.000 0.154 0.000 0.819 369 A HN 0.103 nan 8.150 nan 0.000 0.448 370 D N -0.283 120.106 120.400 -0.020 0.000 2.123 370 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 370 D C 1.971 178.241 176.300 -0.051 0.000 0.992 370 D CA 1.573 55.543 54.000 -0.050 0.000 0.833 370 D CB -0.232 40.556 40.800 -0.021 0.000 0.954 370 D HN 0.538 nan 8.370 nan 0.000 0.455 371 K N 0.121 120.521 120.400 -0.001 0.000 2.057 371 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 371 K C 2.178 178.776 176.600 -0.002 0.000 1.049 371 K CA 0.641 56.937 56.287 0.015 0.000 0.931 371 K CB -0.118 32.422 32.500 0.066 0.000 0.714 371 K HN 0.015 nan 8.250 nan 0.000 0.440 372 V N 2.464 122.380 119.914 0.002 0.000 2.295 372 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 372 V C 2.270 178.218 176.094 -0.243 0.000 1.049 372 V CA 1.863 64.124 62.300 -0.065 0.000 1.024 372 V CB -0.734 31.074 31.823 -0.026 0.000 0.648 372 V HN 0.487 nan 8.190 nan 0.000 0.447 373 N N 0.536 119.038 118.700 -0.330 0.000 2.037 373 N HA -0.270 4.470 4.740 -0.000 0.000 0.196 373 N C 1.511 176.867 175.510 -0.257 0.000 1.034 373 N CA 2.417 55.230 53.050 -0.396 0.000 0.861 373 N CB -0.195 38.082 38.487 -0.349 0.000 1.039 373 N HN 0.484 nan 8.380 nan 0.000 0.427 374 D N 0.453 120.760 120.400 -0.156 0.000 2.144 374 D HA -0.022 4.618 4.640 -0.000 0.000 0.200 374 D C 1.932 178.189 176.300 -0.072 0.000 0.978 374 D CA 1.163 55.103 54.000 -0.099 0.000 0.833 374 D CB -0.546 40.217 40.800 -0.061 0.000 0.961 374 D HN 0.443 nan 8.370 nan 0.000 0.470 375 A N 0.621 123.402 122.820 -0.064 0.000 1.858 375 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 375 A C 2.515 180.083 177.584 -0.026 0.000 1.190 375 A CA 1.431 53.447 52.037 -0.035 0.000 0.617 375 A CB -0.866 18.118 19.000 -0.026 0.000 0.827 375 A HN 0.139 nan 8.150 nan 0.000 0.443 376 V N 0.174 120.029 119.914 -0.098 0.000 2.295 376 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 376 V C 2.692 178.761 176.094 -0.042 0.000 1.049 376 V CA 2.349 64.598 62.300 -0.084 0.000 1.024 376 V CB -0.832 30.822 31.823 -0.281 0.000 0.648 376 V HN 0.676 nan 8.190 nan 0.000 0.447 377 R N 0.299 120.726 120.500 -0.121 0.000 2.081 377 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 377 R C 2.350 178.642 176.300 -0.014 0.000 1.131 377 R CA 1.846 57.897 56.100 -0.081 0.000 0.960 377 R CB -0.808 29.424 30.300 -0.113 0.000 0.856 377 R HN 0.536 nan 8.270 nan 0.000 0.436 378 G N 0.175 108.978 108.800 0.005 0.000 2.442 378 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 378 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 378 G C 1.207 176.165 174.900 0.097 0.000 1.141 378 G CA 0.649 45.771 45.100 0.038 0.000 0.763 378 G HN 0.416 nan 8.290 nan 0.000 0.554 379 F N 0.723 120.648 119.950 -0.041 0.000 2.149 379 F HA 0.139 4.666 4.527 -0.000 0.000 0.294 379 F C 2.276 178.063 175.800 -0.022 0.000 1.095 379 F CA 0.465 58.448 58.000 -0.029 0.000 1.276 379 F CB -0.325 38.654 39.000 -0.034 0.000 1.023 379 F HN 0.006 nan 8.300 nan 0.000 0.480 380 L N 0.694 121.854 121.223 -0.106 0.000 2.127 380 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 380 L C 1.914 178.728 176.870 -0.093 0.000 1.089 380 L CA 1.659 56.397 54.840 -0.170 0.000 0.757 380 L CB -1.305 40.724 42.059 -0.050 0.000 0.899 380 L HN 0.118 nan 8.230 nan 0.000 0.434 381 D N -1.165 119.207 120.400 -0.047 0.000 2.269 381 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 381 D C 1.265 177.534 176.300 -0.051 0.000 0.963 381 D CA 0.357 54.339 54.000 -0.030 0.000 0.864 381 D CB 0.069 40.860 40.800 -0.015 0.000 0.936 381 D HN 0.445 nan 8.370 nan 0.000 0.505 382 Q N 0.000 119.749 119.800 -0.084 0.000 2.315 382 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 382 Q CA 0.000 55.759 55.803 -0.074 0.000 1.022 382 Q CB 0.000 28.700 28.738 -0.063 0.000 1.108 382 Q HN 0.000 nan 8.270 nan 0.000 0.481