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 1g51_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRRTHYAGSL RETHVGEEVV LEGWVNRRRD LGGLIFLDLR DREGLVQLVA DATA SEQUENCE HPASPAYATA ERVRPEWVVR AKGLVRLRPE PNPRLATGRV EVELSALEVL DATA SEQUENCE AEAKTPPFPV DAGWRGEEEK EASEELRLKY RYLDLRRRRM QENLRLRHRV DATA SEQUENCE IKAIWDFLDR EGFVQVETPF LTKSTPEGAR DFLVPYRHEP GLFYALPQSP DATA SEQUENCE QLFKQMLMVA GLDRYFQIAR CFRDEDLRAD RQPDFTQLDL EMSFVEVEDV DATA SEQUENCE LELNERLMAH VFREALGVEL PLPFPRLSYE EAMERYGSDK PDLRFGLELK DATA SEQUENCE EVGPLFRQSG FRVFQEAESV KALALPKALS RKEVAELEEV AKRHKAQGLA DATA SEQUENCE WARVEEGGFS GGVAKFLEPV REALLQATEA RPGDTLLFVA GPRKVAATAL DATA SEQUENCE GAVRLRAADL LGLKREGFRF LWVVDFPLLE WDEEEEAWTY MHHPFTSPHP DATA SEQUENCE EDLPLLEKDP GRVRALAYDL VLNGVEVGGG SIRIHDPRLQ ARVFRLLGIG DATA SEQUENCE EEEQREKFGF FLEALEYGAP PHGGIAWGLD RLLALMTGSP SIREVIAFPK DATA SEQUENCE NKEGKDPLTG APSPVPEEQL RELGLMVVRP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.274 176.300 -0.043 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.039 0.000 1.302 2 R N 3.840 124.312 120.500 -0.047 0.000 3.868 2 R HA -0.121 4.218 4.340 -0.001 0.000 0.119 2 R C -0.628 175.634 176.300 -0.064 0.000 0.538 2 R CA 0.815 56.880 56.100 -0.058 0.000 0.781 2 R CB -0.600 29.666 30.300 -0.058 0.000 1.123 2 R HN 0.506 nan 8.270 nan 0.000 0.240 3 R N 1.014 121.466 120.500 -0.079 0.000 2.679 3 R HA 0.149 4.488 4.340 -0.001 0.000 0.269 3 R C 1.236 177.473 176.300 -0.104 0.000 1.076 3 R CA 0.194 56.249 56.100 -0.075 0.000 1.160 3 R CB 0.254 30.500 30.300 -0.089 0.000 1.054 3 R HN 0.606 nan 8.270 nan 0.000 0.507 4 T N -3.049 111.465 114.554 -0.067 0.000 3.040 4 T HA 0.140 4.489 4.350 -0.001 0.000 0.252 4 T C -0.050 174.375 174.700 -0.459 0.000 1.064 4 T CA 0.207 62.196 62.100 -0.186 0.000 1.110 4 T CB -0.219 68.636 68.868 -0.021 0.000 0.921 4 T HN 0.769 nan 8.240 nan 0.000 0.480 5 H N -1.657 117.337 119.070 -0.127 0.000 2.981 5 H HA 0.472 5.027 4.556 -0.001 0.000 0.327 5 H C -1.833 173.413 175.328 -0.137 0.000 1.342 5 H CA -1.337 54.627 56.048 -0.140 0.000 1.123 5 H CB 0.567 30.253 29.762 -0.127 0.000 1.851 5 H HN 0.123 nan 8.280 nan 0.000 0.531 6 Y N 0.808 121.176 120.300 0.114 0.000 2.365 6 Y HA 0.307 4.856 4.550 -0.001 0.000 0.340 6 Y C 1.521 177.434 175.900 0.022 0.000 1.016 6 Y CA -0.146 57.987 58.100 0.055 0.000 1.196 6 Y CB 1.244 39.734 38.460 0.049 0.000 1.167 6 Y HN 0.896 nan 8.280 nan 0.000 0.509 7 A N 3.509 126.437 122.820 0.179 0.000 1.929 7 A HA -0.308 4.012 4.320 -0.001 0.000 0.221 7 A C 2.226 179.836 177.584 0.044 0.000 1.211 7 A CA 2.311 54.390 52.037 0.071 0.000 0.657 7 A CB -1.288 17.746 19.000 0.056 0.000 0.827 7 A HN 1.015 nan 8.150 nan 0.000 0.462 8 G N -2.015 106.821 108.800 0.061 0.000 3.124 8 G HA2 0.252 4.211 3.960 -0.001 0.000 0.212 8 G HA3 0.252 4.211 3.960 -0.001 0.000 0.212 8 G C 1.108 176.047 174.900 0.065 0.000 1.181 8 G CA 0.840 45.969 45.100 0.049 0.000 0.803 8 G HN 0.465 nan 8.290 nan 0.000 0.529 9 S N -0.262 115.481 115.700 0.073 0.000 2.517 9 S HA 0.263 4.732 4.470 -0.001 0.000 0.214 9 S C 0.940 175.532 174.600 -0.015 0.000 0.991 9 S CA -0.504 57.741 58.200 0.076 0.000 0.906 9 S CB 0.099 63.395 63.200 0.159 0.000 0.789 9 S HN 0.234 nan 8.310 nan 0.000 0.513 10 L N 3.326 124.474 121.223 -0.125 0.000 2.513 10 L HA 0.192 4.531 4.340 -0.001 0.000 0.272 10 L C 0.658 177.547 176.870 0.032 0.000 1.187 10 L CA 0.192 54.891 54.840 -0.235 0.000 0.895 10 L CB 0.106 42.026 42.059 -0.232 0.000 1.147 10 L HN 0.126 nan 8.230 nan 0.000 0.483 11 R N 1.962 122.624 120.500 0.270 0.000 3.018 11 R HA 0.195 4.534 4.340 -0.001 0.000 0.243 11 R C 0.725 177.139 176.300 0.189 0.000 1.315 11 R CA -0.820 55.406 56.100 0.210 0.000 1.039 11 R CB 0.587 31.000 30.300 0.188 0.000 1.315 11 R HN 0.538 nan 8.270 nan 0.000 0.492 12 E N 0.521 120.780 120.200 0.098 0.000 2.160 12 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 12 E C 1.091 177.707 176.600 0.027 0.000 0.991 12 E CA 2.099 58.534 56.400 0.058 0.000 0.810 12 E CB 0.124 29.846 29.700 0.037 0.000 0.742 12 E HN 0.684 nan 8.360 nan 0.000 0.466 13 T N -2.371 112.172 114.554 -0.019 0.000 2.897 13 T HA -0.179 4.170 4.350 -0.001 0.000 0.271 13 T C 1.120 175.692 174.700 -0.213 0.000 1.084 13 T CA 1.624 63.645 62.100 -0.131 0.000 1.123 13 T CB -0.525 68.220 68.868 -0.204 0.000 0.865 13 T HN 0.348 nan 8.240 nan 0.000 0.496 14 H N 1.034 120.103 119.070 -0.003 0.000 2.539 14 H HA 0.394 4.949 4.556 -0.001 0.000 0.267 14 H C 0.938 176.253 175.328 -0.022 0.000 0.982 14 H CA 0.078 56.112 56.048 -0.024 0.000 1.146 14 H CB -0.236 29.470 29.762 -0.094 0.000 1.382 14 H HN 0.429 nan 8.280 nan 0.000 0.577 15 V N -0.736 119.218 119.914 0.068 0.000 2.617 15 V HA 0.299 4.419 4.120 -0.001 0.000 0.304 15 V C 1.443 177.558 176.094 0.034 0.000 1.040 15 V CA 0.737 63.065 62.300 0.046 0.000 1.149 15 V CB 0.453 32.295 31.823 0.032 0.000 0.914 15 V HN 0.571 nan 8.190 nan 0.000 0.487 16 G N 2.680 111.498 108.800 0.032 0.000 2.254 16 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.225 16 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.225 16 G C 0.069 174.988 174.900 0.033 0.000 1.003 16 G CA 0.232 45.347 45.100 0.025 0.000 0.622 16 G HN 0.914 nan 8.290 nan 0.000 0.507 17 E N 1.215 121.444 120.200 0.049 0.000 2.366 17 E HA 0.425 4.774 4.350 -0.001 0.000 0.266 17 E C -0.251 176.378 176.600 0.048 0.000 1.051 17 E CA -0.327 56.112 56.400 0.064 0.000 0.884 17 E CB 0.668 30.438 29.700 0.116 0.000 1.006 17 E HN 0.223 nan 8.360 nan 0.000 0.417 18 E N 1.842 122.074 120.200 0.053 0.000 2.200 18 E HA 0.217 4.566 4.350 -0.001 0.000 0.283 18 E C -0.450 176.187 176.600 0.063 0.000 1.015 18 E CA -0.291 56.133 56.400 0.040 0.000 0.819 18 E CB 1.412 31.131 29.700 0.032 0.000 1.081 18 E HN 0.325 nan 8.360 nan 0.000 0.397 19 V N -0.224 119.716 119.914 0.044 0.000 3.126 19 V HA 0.726 4.845 4.120 -0.001 0.000 0.314 19 V C -0.436 175.686 176.094 0.046 0.000 1.138 19 V CA -0.932 61.411 62.300 0.073 0.000 1.034 19 V CB 2.254 34.086 31.823 0.014 0.000 1.075 19 V HN 0.232 nan 8.190 nan 0.000 0.442 20 V N 2.966 122.917 119.914 0.061 0.000 2.482 20 V HA 0.552 4.671 4.120 -0.001 0.000 0.295 20 V C -0.412 175.695 176.094 0.023 0.000 1.026 20 V CA -0.248 62.066 62.300 0.022 0.000 0.856 20 V CB 1.235 33.061 31.823 0.005 0.000 1.001 20 V HN 0.814 nan 8.190 nan 0.000 0.424 21 L N 3.881 125.107 121.223 0.004 0.000 2.333 21 L HA 0.760 5.099 4.340 -0.001 0.000 0.269 21 L C -0.355 176.502 176.870 -0.023 0.000 1.010 21 L CA -0.669 54.172 54.840 0.002 0.000 0.818 21 L CB 2.418 44.480 42.059 0.004 0.000 1.306 21 L HN 0.550 nan 8.230 nan 0.000 0.430 22 E N 0.259 120.444 120.200 -0.025 0.000 2.275 22 E HA 0.712 5.061 4.350 -0.001 0.000 0.270 22 E C -0.562 175.991 176.600 -0.079 0.000 0.882 22 E CA -0.448 55.905 56.400 -0.079 0.000 0.758 22 E CB 2.706 32.351 29.700 -0.092 0.000 1.195 22 E HN 0.809 nan 8.360 nan 0.000 0.419 23 G N 2.010 110.698 108.800 -0.187 0.000 2.364 23 G HA2 0.211 4.170 3.960 -0.001 0.000 0.286 23 G HA3 0.211 4.170 3.960 -0.001 0.000 0.286 23 G C -1.785 172.945 174.900 -0.282 0.000 1.241 23 G CA -0.814 44.196 45.100 -0.149 0.000 0.887 23 G HN 0.318 nan 8.290 nan 0.000 0.484 24 W N 0.415 121.696 121.300 -0.031 0.000 2.606 24 W HA 0.533 5.192 4.660 -0.001 0.000 0.332 24 W C -0.306 176.206 176.519 -0.012 0.000 1.052 24 W CA -0.638 56.705 57.345 -0.004 0.000 1.223 24 W CB 2.061 31.509 29.460 -0.021 0.000 1.383 24 W HN 0.252 nan 8.180 nan 0.000 0.524 25 V N 3.355 123.397 119.914 0.213 0.000 2.397 25 V HA -0.143 3.976 4.120 -0.001 0.000 0.262 25 V C 0.993 177.148 176.094 0.103 0.000 1.047 25 V CA 0.382 62.747 62.300 0.108 0.000 1.003 25 V CB 0.303 32.154 31.823 0.045 0.000 1.037 25 V HN 0.546 nan 8.190 nan 0.000 0.480 26 N N 3.924 122.664 118.700 0.067 0.000 2.270 26 N HA -0.035 4.704 4.740 -0.001 0.000 0.181 26 N C 0.770 176.307 175.510 0.044 0.000 1.016 26 N CA 0.974 54.055 53.050 0.051 0.000 0.870 26 N CB 0.242 38.745 38.487 0.026 0.000 0.979 26 N HN 0.728 nan 8.380 nan 0.000 0.431 27 R N -0.519 119.995 120.500 0.024 0.000 2.664 27 R HA 0.217 4.556 4.340 -0.001 0.000 0.260 27 R C -1.906 174.387 176.300 -0.011 0.000 1.062 27 R CA -0.678 55.425 56.100 0.005 0.000 0.902 27 R CB 0.950 31.261 30.300 0.018 0.000 1.258 27 R HN 0.104 nan 8.270 nan 0.000 0.465 28 R N 3.407 123.885 120.500 -0.037 0.000 2.513 28 R HA 0.510 4.849 4.340 -0.001 0.000 0.301 28 R C -1.187 175.099 176.300 -0.024 0.000 0.968 28 R CA -0.629 55.444 56.100 -0.045 0.000 0.872 28 R CB 1.451 31.683 30.300 -0.114 0.000 1.177 28 R HN 0.638 nan 8.270 nan 0.000 0.444 29 R N 2.497 123.010 120.500 0.023 0.000 2.476 29 R HA 0.159 4.498 4.340 -0.001 0.000 0.305 29 R C -1.422 174.928 176.300 0.082 0.000 0.965 29 R CA -0.909 55.208 56.100 0.029 0.000 0.867 29 R CB 1.737 32.036 30.300 -0.001 0.000 1.176 29 R HN 0.519 nan 8.270 nan 0.000 0.447 30 D N 4.095 124.520 120.400 0.042 0.000 2.428 30 D HA 0.150 4.789 4.640 -0.001 0.000 0.221 30 D C -0.969 175.379 176.300 0.081 0.000 1.123 30 D CA -0.429 53.608 54.000 0.062 0.000 0.869 30 D CB 0.833 41.645 40.800 0.020 0.000 1.032 30 D HN 0.126 nan 8.370 nan 0.000 0.506 31 L N 4.103 125.417 121.223 0.150 0.000 2.384 31 L HA 0.562 4.901 4.340 -0.001 0.000 0.261 31 L C 1.120 178.075 176.870 0.140 0.000 1.024 31 L CA 0.011 54.921 54.840 0.117 0.000 0.899 31 L CB 0.527 42.630 42.059 0.073 0.000 1.243 31 L HN 0.706 nan 8.230 nan 0.000 0.449 32 G N 2.611 111.464 108.800 0.089 0.000 2.512 32 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.240 32 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.240 32 G C 0.732 175.684 174.900 0.086 0.000 1.246 32 G CA -0.037 45.109 45.100 0.076 0.000 0.919 32 G HN 0.796 nan 8.290 nan 0.000 0.577 33 G N -0.642 108.196 108.800 0.064 0.000 2.623 33 G HA2 0.403 4.363 3.960 -0.001 0.000 0.214 33 G HA3 0.403 4.363 3.960 -0.001 0.000 0.214 33 G C 0.774 175.744 174.900 0.117 0.000 1.138 33 G CA 1.149 46.281 45.100 0.055 0.000 0.794 33 G HN 0.650 nan 8.290 nan 0.000 0.535 34 L N 0.601 121.872 121.223 0.079 0.000 2.452 34 L HA 0.439 4.778 4.340 -0.001 0.000 0.267 34 L C 0.085 177.005 176.870 0.084 0.000 1.188 34 L CA -0.250 54.594 54.840 0.007 0.000 0.821 34 L CB 1.360 43.321 42.059 -0.164 0.000 1.102 34 L HN -0.016 nan 8.230 nan 0.000 0.470 35 I N 2.667 123.200 120.570 -0.062 0.000 2.439 35 I HA 0.271 4.440 4.170 -0.001 0.000 0.285 35 I C -1.088 174.930 176.117 -0.165 0.000 1.021 35 I CA -0.398 60.859 61.300 -0.071 0.000 1.091 35 I CB 1.141 39.002 38.000 -0.231 0.000 1.242 35 I HN 0.269 nan 8.210 nan 0.000 0.439 36 F N 6.655 126.565 119.950 -0.067 0.000 2.420 36 F HA 0.575 5.102 4.527 -0.001 0.000 0.342 36 F C -0.118 175.648 175.800 -0.057 0.000 1.113 36 F CA -0.563 57.405 58.000 -0.053 0.000 1.059 36 F CB 1.295 40.272 39.000 -0.038 0.000 1.128 36 F HN 0.116 nan 8.300 nan 0.000 0.475 37 L N 3.583 124.871 121.223 0.108 0.000 2.381 37 L HA 0.426 4.766 4.340 -0.001 0.000 0.274 37 L C -1.041 175.865 176.870 0.060 0.000 0.988 37 L CA -0.879 53.989 54.840 0.046 0.000 0.824 37 L CB 1.865 43.918 42.059 -0.010 0.000 1.263 37 L HN 0.447 nan 8.230 nan 0.000 0.410 38 D N 4.410 124.841 120.400 0.051 0.000 2.347 38 D HA 0.249 4.889 4.640 -0.001 0.000 0.235 38 D C -0.346 175.973 176.300 0.032 0.000 1.149 38 D CA -0.087 53.942 54.000 0.048 0.000 0.850 38 D CB 2.363 43.192 40.800 0.049 0.000 1.061 38 D HN 0.244 nan 8.370 nan 0.000 0.487 39 L N 3.490 124.728 121.223 0.026 0.000 2.290 39 L HA 0.348 4.688 4.340 -0.001 0.000 0.284 39 L C 0.280 177.150 176.870 0.001 0.000 1.078 39 L CA -0.345 54.509 54.840 0.024 0.000 0.815 39 L CB 0.659 42.729 42.059 0.018 0.000 1.162 39 L HN 0.393 nan 8.230 nan 0.000 0.435 40 R N 2.837 123.337 120.500 0.000 0.000 2.807 40 R HA 0.736 5.075 4.340 -0.001 0.000 0.276 40 R C -1.681 174.608 176.300 -0.019 0.000 0.979 40 R CA -0.739 55.281 56.100 -0.133 0.000 0.928 40 R CB 2.229 32.280 30.300 -0.415 0.000 1.191 40 R HN 0.595 nan 8.270 nan 0.000 0.471 41 D N 0.389 120.699 120.400 -0.150 0.000 2.752 41 D HA 0.139 4.778 4.640 -0.001 0.000 0.313 41 D C 0.369 176.491 176.300 -0.298 0.000 1.225 41 D CA -1.052 52.936 54.000 -0.021 0.000 0.976 41 D CB 0.631 41.558 40.800 0.211 0.000 1.443 41 D HN 0.680 nan 8.370 nan 0.000 0.515 42 R N -0.537 119.845 120.500 -0.196 0.000 2.249 42 R HA -0.080 4.259 4.340 -0.001 0.000 0.230 42 R C 0.290 176.536 176.300 -0.090 0.000 1.121 42 R CA 1.131 57.132 56.100 -0.167 0.000 0.997 42 R CB -0.377 29.848 30.300 -0.126 0.000 0.867 42 R HN 0.286 nan 8.270 nan 0.000 0.465 43 E N 0.780 120.877 120.200 -0.171 0.000 2.479 43 E HA 0.188 4.537 4.350 -0.001 0.000 0.193 43 E C 0.728 177.371 176.600 0.071 0.000 1.049 43 E CA 0.760 57.129 56.400 -0.053 0.000 0.870 43 E CB 0.950 30.595 29.700 -0.092 0.000 0.944 43 E HN 0.576 nan 8.360 nan 0.000 0.492 44 G N 0.270 109.077 108.800 0.011 0.000 2.353 44 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.615 44 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.615 44 G C -1.061 173.817 174.900 -0.036 0.000 1.280 44 G CA -0.911 44.249 45.100 0.099 0.000 1.000 44 G HN 0.042 nan 8.290 nan 0.000 0.516 45 L N -0.609 120.644 121.223 0.050 0.000 2.399 45 L HA 0.849 5.188 4.340 -0.001 0.000 0.265 45 L C 0.246 177.138 176.870 0.036 0.000 1.089 45 L CA -1.141 53.711 54.840 0.020 0.000 0.802 45 L CB 1.590 43.689 42.059 0.067 0.000 1.180 45 L HN 0.694 nan 8.230 nan 0.000 0.454 46 V N 1.772 121.703 119.914 0.028 0.000 2.777 46 V HA 0.222 4.341 4.120 -0.001 0.000 0.306 46 V C -0.766 175.354 176.094 0.043 0.000 1.112 46 V CA -0.449 61.870 62.300 0.032 0.000 0.917 46 V CB 2.185 34.015 31.823 0.011 0.000 1.018 46 V HN 0.884 nan 8.190 nan 0.000 0.426 47 Q N 5.302 125.140 119.800 0.063 0.000 2.296 47 Q HA 0.548 4.887 4.340 -0.001 0.000 0.262 47 Q C -1.463 174.583 176.000 0.077 0.000 0.981 47 Q CA -0.186 55.676 55.803 0.098 0.000 0.905 47 Q CB 1.037 29.865 28.738 0.150 0.000 1.186 47 Q HN 0.750 nan 8.270 nan 0.000 0.399 48 L N 3.698 124.958 121.223 0.062 0.000 2.331 48 L HA 0.665 5.004 4.340 -0.001 0.000 0.275 48 L C -0.830 176.010 176.870 -0.051 0.000 1.022 48 L CA -1.195 53.651 54.840 0.010 0.000 0.812 48 L CB 1.978 44.035 42.059 -0.003 0.000 1.257 48 L HN 0.426 nan 8.230 nan 0.000 0.435 49 V N 1.308 121.151 119.914 -0.119 0.000 2.577 49 V HA 0.707 4.827 4.120 -0.001 0.000 0.303 49 V C -0.288 175.693 176.094 -0.190 0.000 1.042 49 V CA -0.560 61.541 62.300 -0.331 0.000 0.872 49 V CB 1.751 33.333 31.823 -0.402 0.000 0.998 49 V HN 0.851 nan 8.190 nan 0.000 0.423 50 A N 3.240 125.921 122.820 -0.232 0.000 2.318 50 A HA 0.845 5.164 4.320 -0.001 0.000 0.317 50 A C -0.916 176.694 177.584 0.044 0.000 1.159 50 A CA -0.449 51.584 52.037 -0.006 0.000 0.799 50 A CB 0.524 19.522 19.000 -0.004 0.000 1.194 50 A HN 0.943 nan 8.150 nan 0.000 0.479 51 H N 2.493 121.610 119.070 0.078 0.000 2.502 51 H HA 0.395 4.950 4.556 -0.001 0.000 0.338 51 H C -1.869 173.400 175.328 -0.097 0.000 1.155 51 H CA -1.681 54.364 56.048 -0.006 0.000 1.237 51 H CB 1.055 30.781 29.762 -0.059 0.000 1.534 51 H HN 0.357 nan 8.280 nan 0.000 0.523 52 P HA -0.195 nan 4.420 nan 0.000 0.219 52 P C 0.970 178.117 177.300 -0.256 0.000 1.146 52 P CA 1.837 64.482 63.100 -0.759 0.000 0.808 52 P CB 0.202 31.483 31.700 -0.699 0.000 0.779 53 A N -0.517 122.240 122.820 -0.104 0.000 1.858 53 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 53 A C 1.562 179.138 177.584 -0.013 0.000 1.190 53 A CA 1.143 53.147 52.037 -0.054 0.000 0.617 53 A CB -1.462 17.508 19.000 -0.050 0.000 0.827 53 A HN 0.254 nan 8.150 nan 0.000 0.443 54 S N 0.461 116.179 115.700 0.030 0.000 2.558 54 S HA 0.130 4.599 4.470 -0.001 0.000 0.291 54 S C -0.854 173.792 174.600 0.078 0.000 1.306 54 S CA -0.409 57.824 58.200 0.056 0.000 1.056 54 S CB 0.607 63.861 63.200 0.091 0.000 0.836 54 S HN 0.342 nan 8.310 nan 0.000 0.504 55 P HA -0.012 nan 4.420 nan 0.000 0.225 55 P C 0.835 178.176 177.300 0.068 0.000 1.148 55 P CA 1.021 64.152 63.100 0.052 0.000 0.779 55 P CB -0.120 31.598 31.700 0.029 0.000 0.780 56 A N -1.506 121.358 122.820 0.074 0.000 2.119 56 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 56 A C 2.118 179.742 177.584 0.067 0.000 1.152 56 A CA 0.331 52.402 52.037 0.057 0.000 0.708 56 A CB -1.433 17.591 19.000 0.040 0.000 0.805 56 A HN 0.055 nan 8.150 nan 0.000 0.460 57 Y N 0.767 121.064 120.300 -0.005 0.000 2.097 57 Y HA -0.208 4.341 4.550 -0.001 0.000 0.282 57 Y C 2.710 178.604 175.900 -0.010 0.000 1.152 57 Y CA 1.598 59.690 58.100 -0.013 0.000 1.136 57 Y CB -0.527 37.928 38.460 -0.008 0.000 0.975 57 Y HN 0.333 nan 8.280 nan 0.000 0.498 58 A N -0.999 121.903 122.820 0.136 0.000 1.927 58 A HA -0.277 4.042 4.320 -0.001 0.000 0.220 58 A C 2.240 179.807 177.584 -0.027 0.000 1.185 58 A CA 2.597 54.670 52.037 0.060 0.000 0.639 58 A CB -1.361 17.686 19.000 0.078 0.000 0.820 58 A HN 0.534 nan 8.150 nan 0.000 0.451 59 T N -0.219 114.322 114.554 -0.022 0.000 2.770 59 T HA 0.115 4.464 4.350 -0.001 0.000 0.263 59 T C 2.214 176.867 174.700 -0.080 0.000 1.039 59 T CA 1.300 63.391 62.100 -0.016 0.000 1.142 59 T CB -0.402 68.473 68.868 0.013 0.000 0.868 59 T HN 0.608 nan 8.240 nan 0.000 0.435 60 A N 1.191 123.922 122.820 -0.149 0.000 2.070 60 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 60 A C 2.133 179.539 177.584 -0.297 0.000 1.159 60 A CA 1.444 53.352 52.037 -0.214 0.000 0.656 60 A CB -0.462 18.387 19.000 -0.252 0.000 0.800 60 A HN 0.540 nan 8.150 nan 0.000 0.453 61 E N -0.892 119.101 120.200 -0.346 0.000 2.107 61 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 61 E C 2.214 178.692 176.600 -0.204 0.000 0.982 61 E CA 0.759 56.970 56.400 -0.315 0.000 0.809 61 E CB -0.047 29.491 29.700 -0.270 0.000 0.756 61 E HN 0.609 nan 8.360 nan 0.000 0.459 62 R N 0.446 120.855 120.500 -0.151 0.000 2.275 62 R HA 0.050 4.390 4.340 -0.001 0.000 0.199 62 R C 0.233 176.320 176.300 -0.356 0.000 0.989 62 R CA -0.025 56.001 56.100 -0.125 0.000 1.016 62 R CB 0.362 30.680 30.300 0.031 0.000 0.918 62 R HN -0.068 nan 8.270 nan 0.000 0.473 63 V N 2.633 122.295 119.914 -0.421 0.000 2.740 63 V HA 0.080 4.200 4.120 -0.001 0.000 0.303 63 V C 0.395 175.878 176.094 -1.018 0.000 1.054 63 V CA 0.406 62.239 62.300 -0.780 0.000 1.106 63 V CB 1.087 32.732 31.823 -0.297 0.000 0.957 63 V HN 0.322 nan 8.190 nan 0.000 0.486 64 R N 4.124 123.572 120.500 -1.754 0.000 2.919 64 R HA 0.486 4.825 4.340 -0.001 0.000 0.260 64 R C -2.760 173.175 176.300 -0.608 0.000 1.067 64 R CA -2.233 53.223 56.100 -1.073 0.000 1.003 64 R CB 1.064 30.769 30.300 -0.993 0.000 1.192 64 R HN 0.347 nan 8.270 nan 0.000 0.488 65 P HA -0.041 nan 4.420 nan 0.000 0.267 65 P C -0.353 177.039 177.300 0.154 0.000 1.200 65 P CA 0.592 63.679 63.100 -0.022 0.000 0.772 65 P CB 0.396 32.092 31.700 -0.007 0.000 0.855 66 E N -1.807 118.537 120.200 0.240 0.000 3.799 66 E HA -0.208 4.141 4.350 -0.001 0.000 0.320 66 E C -0.485 176.427 176.600 0.520 0.000 0.760 66 E CA 0.983 57.619 56.400 0.392 0.000 1.153 66 E CB -2.030 27.842 29.700 0.287 0.000 1.589 66 E HN 0.487 nan 8.360 nan 0.000 0.448 67 W N 0.741 122.100 121.300 0.098 0.000 2.190 67 W HA 0.337 4.997 4.660 -0.001 0.000 0.330 67 W C 0.876 177.346 176.519 -0.080 0.000 1.299 67 W CA -0.416 56.938 57.345 0.015 0.000 1.215 67 W CB 0.526 29.978 29.460 -0.014 0.000 1.147 67 W HN -0.243 nan 8.180 nan 0.000 0.563 68 V N 5.257 125.140 119.914 -0.052 0.000 2.439 68 V HA 0.520 4.639 4.120 -0.001 0.000 0.282 68 V C 0.062 176.043 176.094 -0.188 0.000 1.039 68 V CA -0.903 61.175 62.300 -0.370 0.000 0.913 68 V CB 0.740 32.224 31.823 -0.564 0.000 0.983 68 V HN 0.341 nan 8.190 nan 0.000 0.460 69 V N 2.893 122.697 119.914 -0.183 0.000 3.078 69 V HA 0.767 4.887 4.120 -0.001 0.000 0.311 69 V C -0.709 175.320 176.094 -0.109 0.000 1.138 69 V CA -1.253 60.991 62.300 -0.093 0.000 1.007 69 V CB 2.139 33.954 31.823 -0.012 0.000 1.045 69 V HN 0.835 nan 8.190 nan 0.000 0.432 70 R N 2.065 122.521 120.500 -0.075 0.000 2.338 70 R HA 0.851 5.190 4.340 -0.001 0.000 0.317 70 R C -0.472 175.806 176.300 -0.037 0.000 0.968 70 R CA 0.221 56.283 56.100 -0.063 0.000 0.849 70 R CB 1.492 31.757 30.300 -0.058 0.000 1.128 70 R HN 1.356 nan 8.270 nan 0.000 0.448 71 A N 4.439 127.241 122.820 -0.029 0.000 2.343 71 A HA 0.533 4.853 4.320 -0.001 0.000 0.316 71 A C -1.147 176.431 177.584 -0.010 0.000 1.104 71 A CA -0.861 51.166 52.037 -0.016 0.000 0.768 71 A CB 1.165 20.156 19.000 -0.014 0.000 1.213 71 A HN 0.738 nan 8.150 nan 0.000 0.456 72 K N 1.244 121.641 120.400 -0.005 0.000 2.376 72 K HA 0.704 5.023 4.320 -0.001 0.000 0.257 72 K C -0.075 176.527 176.600 0.003 0.000 0.939 72 K CA -0.378 55.910 56.287 0.001 0.000 0.809 72 K CB 2.458 34.958 32.500 0.000 0.000 1.121 72 K HN 1.024 nan 8.250 nan 0.000 0.425 73 G N 1.339 110.142 108.800 0.005 0.000 2.550 73 G HA2 0.404 4.363 3.960 -0.001 0.000 0.293 73 G HA3 0.404 4.363 3.960 -0.001 0.000 0.293 73 G C -2.264 172.639 174.900 0.005 0.000 1.402 73 G CA -0.843 44.260 45.100 0.005 0.000 0.784 73 G HN 0.378 nan 8.290 nan 0.000 0.482 74 L N 0.862 122.088 121.223 0.005 0.000 2.275 74 L HA 0.700 5.039 4.340 -0.001 0.000 0.288 74 L C 0.061 176.936 176.870 0.008 0.000 1.046 74 L CA -0.601 54.243 54.840 0.007 0.000 0.805 74 L CB 1.640 43.701 42.059 0.003 0.000 1.193 74 L HN 0.339 nan 8.230 nan 0.000 0.426 75 V N 6.215 126.134 119.914 0.009 0.000 2.555 75 V HA 0.413 4.532 4.120 -0.001 0.000 0.286 75 V C 0.338 176.447 176.094 0.025 0.000 1.044 75 V CA -0.228 62.079 62.300 0.012 0.000 1.026 75 V CB 0.588 32.417 31.823 0.011 0.000 0.981 75 V HN 0.939 nan 8.190 nan 0.000 0.480 76 R N 4.750 125.269 120.500 0.031 0.000 2.837 76 R HA 0.621 4.960 4.340 -0.001 0.000 0.271 76 R C -1.324 175.002 176.300 0.043 0.000 0.993 76 R CA -1.040 55.081 56.100 0.035 0.000 0.931 76 R CB 1.490 31.811 30.300 0.036 0.000 1.206 76 R HN 0.482 nan 8.270 nan 0.000 0.474 77 L N 2.427 123.675 121.223 0.041 0.000 2.380 77 L HA 0.291 4.630 4.340 -0.001 0.000 0.273 77 L C 0.059 176.960 176.870 0.053 0.000 1.138 77 L CA 0.048 54.914 54.840 0.044 0.000 0.832 77 L CB 0.723 42.803 42.059 0.036 0.000 1.124 77 L HN 0.699 nan 8.230 nan 0.000 0.454 78 R N 6.704 127.238 120.500 0.056 0.000 2.347 78 R HA 0.152 4.491 4.340 -0.001 0.000 0.304 78 R C -1.416 174.917 176.300 0.056 0.000 1.072 78 R CA -1.393 54.747 56.100 0.067 0.000 0.980 78 R CB 0.535 30.875 30.300 0.066 0.000 0.986 78 R HN 0.490 nan 8.270 nan 0.000 0.448 79 P HA -0.121 nan 4.420 nan 0.000 0.230 79 P C -0.280 177.044 177.300 0.039 0.000 1.158 79 P CA 1.241 64.370 63.100 0.048 0.000 0.769 79 P CB 0.339 32.071 31.700 0.054 0.000 0.807 80 E N -0.149 120.075 120.200 0.041 0.000 2.518 80 E HA 0.401 4.750 4.350 -0.001 0.000 0.240 80 E C -3.112 173.504 176.600 0.026 0.000 0.996 80 E CA -2.780 53.636 56.400 0.027 0.000 0.768 80 E CB 0.810 30.520 29.700 0.018 0.000 1.329 80 E HN 0.036 nan 8.360 nan 0.000 0.408 81 P HA 0.107 nan 4.420 nan 0.000 0.271 81 P C -0.350 176.961 177.300 0.019 0.000 1.216 81 P CA -0.212 62.904 63.100 0.026 0.000 0.771 81 P CB 0.476 32.191 31.700 0.024 0.000 0.864 82 N N 4.491 123.204 118.700 0.021 0.000 2.527 82 N HA 0.131 4.871 4.740 -0.001 0.000 0.236 82 N C -1.533 173.989 175.510 0.020 0.000 0.999 82 N CA -2.436 50.623 53.050 0.016 0.000 0.935 82 N CB 0.696 39.193 38.487 0.017 0.000 1.132 82 N HN 0.199 nan 8.380 nan 0.000 0.511 83 P HA -0.099 nan 4.420 nan 0.000 0.223 83 P C 0.492 177.803 177.300 0.018 0.000 1.144 83 P CA 0.895 64.004 63.100 0.016 0.000 0.783 83 P CB 0.469 32.176 31.700 0.010 0.000 0.771 84 R N -0.862 119.649 120.500 0.017 0.000 2.313 84 R HA 0.244 4.584 4.340 -0.001 0.000 0.199 84 R C 0.706 177.026 176.300 0.033 0.000 0.958 84 R CA 0.179 56.291 56.100 0.020 0.000 1.047 84 R CB -0.122 30.187 30.300 0.014 0.000 0.955 84 R HN 0.271 nan 8.270 nan 0.000 0.481 85 L N -1.162 120.085 121.223 0.040 0.000 2.381 85 L HA 0.426 4.765 4.340 -0.001 0.000 0.268 85 L C 0.874 177.776 176.870 0.054 0.000 0.997 85 L CA -0.681 54.192 54.840 0.055 0.000 0.818 85 L CB 1.848 43.943 42.059 0.060 0.000 1.310 85 L HN -0.096 nan 8.230 nan 0.000 0.416 86 A N 0.746 123.604 122.820 0.064 0.000 2.070 86 A HA -0.115 4.204 4.320 -0.001 0.000 0.220 86 A C 1.714 179.334 177.584 0.061 0.000 1.159 86 A CA 1.987 54.061 52.037 0.062 0.000 0.656 86 A CB -0.616 18.426 19.000 0.070 0.000 0.800 86 A HN 0.847 nan 8.150 nan 0.000 0.453 87 T N -4.077 110.513 114.554 0.060 0.000 3.122 87 T HA 0.304 4.654 4.350 -0.001 0.000 0.250 87 T C 1.617 176.347 174.700 0.051 0.000 1.067 87 T CA 0.808 62.939 62.100 0.052 0.000 0.966 87 T CB 0.100 68.994 68.868 0.043 0.000 1.002 87 T HN 0.335 nan 8.240 nan 0.000 0.542 88 G N 2.417 111.247 108.800 0.050 0.000 2.550 88 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.222 88 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.222 88 G C 1.833 176.759 174.900 0.044 0.000 1.113 88 G CA 0.315 45.441 45.100 0.044 0.000 0.748 88 G HN 0.401 nan 8.290 nan 0.000 0.585 89 R N -0.170 120.357 120.500 0.045 0.000 2.193 89 R HA 0.116 4.455 4.340 -0.001 0.000 0.213 89 R C 1.279 177.608 176.300 0.049 0.000 1.055 89 R CA 0.838 56.965 56.100 0.044 0.000 0.995 89 R CB -0.653 29.673 30.300 0.043 0.000 0.893 89 R HN 0.503 nan 8.270 nan 0.000 0.459 90 V N -1.407 118.538 119.914 0.052 0.000 3.181 90 V HA 0.653 4.772 4.120 -0.001 0.000 0.314 90 V C -0.509 175.618 176.094 0.056 0.000 1.173 90 V CA -1.008 61.324 62.300 0.052 0.000 1.052 90 V CB 2.408 34.260 31.823 0.048 0.000 1.123 90 V HN 0.301 nan 8.190 nan 0.000 0.454 91 E N -0.329 119.902 120.200 0.052 0.000 2.416 91 E HA 0.655 5.004 4.350 -0.001 0.000 0.280 91 E C -2.152 174.470 176.600 0.036 0.000 1.055 91 E CA -0.990 55.445 56.400 0.058 0.000 0.825 91 E CB 2.288 32.044 29.700 0.094 0.000 1.312 91 E HN 0.547 nan 8.360 nan 0.000 0.452 92 V N 1.147 121.077 119.914 0.027 0.000 2.409 92 V HA 0.283 4.403 4.120 -0.001 0.000 0.291 92 V C -0.296 175.808 176.094 0.018 0.000 1.020 92 V CA -0.659 61.649 62.300 0.013 0.000 0.848 92 V CB 1.294 33.115 31.823 -0.002 0.000 0.990 92 V HN 0.698 nan 8.190 nan 0.000 0.430 93 E N 4.747 124.963 120.200 0.028 0.000 2.223 93 E HA 0.350 4.699 4.350 -0.001 0.000 0.282 93 E C -0.906 175.714 176.600 0.034 0.000 1.046 93 E CA -0.462 55.968 56.400 0.050 0.000 0.857 93 E CB 0.792 30.516 29.700 0.040 0.000 1.055 93 E HN 0.576 nan 8.360 nan 0.000 0.409 94 L N 4.025 125.274 121.223 0.043 0.000 2.331 94 L HA 0.088 4.428 4.340 -0.001 0.000 0.278 94 L C 1.263 178.152 176.870 0.033 0.000 1.106 94 L CA -0.146 54.711 54.840 0.029 0.000 0.824 94 L CB 1.194 43.264 42.059 0.019 0.000 1.142 94 L HN 0.634 nan 8.230 nan 0.000 0.443 95 S N 0.963 116.674 115.700 0.018 0.000 2.506 95 S HA 0.472 4.941 4.470 -0.001 0.000 0.219 95 S C 0.436 175.045 174.600 0.015 0.000 1.031 95 S CA 0.092 58.300 58.200 0.013 0.000 0.911 95 S CB 0.697 63.899 63.200 0.004 0.000 0.812 95 S HN 0.671 nan 8.310 nan 0.000 0.497 96 A N 0.467 123.294 122.820 0.012 0.000 2.612 96 A HA 0.801 5.120 4.320 -0.001 0.000 0.293 96 A C -2.073 175.514 177.584 0.004 0.000 1.075 96 A CA -0.650 51.393 52.037 0.009 0.000 0.680 96 A CB 1.518 20.520 19.000 0.003 0.000 1.279 96 A HN 0.556 nan 8.150 nan 0.000 0.411 97 L N 0.410 121.635 121.223 0.004 0.000 2.614 97 L HA 0.607 4.946 4.340 -0.001 0.000 0.264 97 L C -0.908 175.964 176.870 0.003 0.000 0.940 97 L CA 0.147 54.987 54.840 -0.001 0.000 0.903 97 L CB 1.890 43.947 42.059 -0.003 0.000 1.306 97 L HN 0.884 nan 8.230 nan 0.000 0.410 98 E N 3.503 123.700 120.200 -0.005 0.000 2.222 98 E HA 0.624 4.973 4.350 -0.001 0.000 0.267 98 E C -1.578 175.018 176.600 -0.006 0.000 0.884 98 E CA -0.829 55.567 56.400 -0.006 0.000 0.764 98 E CB 2.247 31.934 29.700 -0.022 0.000 1.169 98 E HN 0.462 nan 8.360 nan 0.000 0.413 99 V N 6.321 126.240 119.914 0.009 0.000 2.432 99 V HA 0.106 4.225 4.120 -0.001 0.000 0.271 99 V C 1.058 177.105 176.094 -0.078 0.000 1.046 99 V CA 0.024 62.326 62.300 0.003 0.000 0.945 99 V CB 1.113 32.965 31.823 0.047 0.000 0.992 99 V HN 0.795 nan 8.190 nan 0.000 0.471 100 L N 3.939 125.093 121.223 -0.115 0.000 2.463 100 L HA 0.536 4.875 4.340 -0.001 0.000 0.219 100 L C 0.795 177.559 176.870 -0.175 0.000 1.088 100 L CA 0.624 55.380 54.840 -0.140 0.000 0.849 100 L CB 0.234 42.198 42.059 -0.159 0.000 1.012 100 L HN 0.745 nan 8.230 nan 0.000 0.468 101 A N -0.113 122.572 122.820 -0.225 0.000 2.582 101 A HA 0.524 4.843 4.320 -0.001 0.000 0.297 101 A C -1.022 176.289 177.584 -0.455 0.000 1.059 101 A CA -0.661 51.212 52.037 -0.272 0.000 0.705 101 A CB 1.165 20.052 19.000 -0.188 0.000 1.279 101 A HN 0.044 nan 8.150 nan 0.000 0.404 102 E N 0.095 119.913 120.200 -0.636 0.000 2.254 102 E HA 0.730 5.080 4.350 -0.001 0.000 0.261 102 E C -0.143 176.127 176.600 -0.551 0.000 1.051 102 E CA -0.667 55.014 56.400 -1.199 0.000 0.902 102 E CB 2.023 31.008 29.700 -1.191 0.000 1.168 102 E HN 1.023 nan 8.360 nan 0.000 0.423 103 A N 1.511 124.124 122.820 -0.346 0.000 2.455 103 A HA 0.406 4.725 4.320 -0.001 0.000 0.300 103 A C -0.742 176.938 177.584 0.160 0.000 1.040 103 A CA -0.756 51.312 52.037 0.052 0.000 0.697 103 A CB 1.088 20.225 19.000 0.229 0.000 1.265 103 A HN 0.458 nan 8.150 nan 0.000 0.407 104 K N 0.396 120.853 120.400 0.095 0.000 2.234 104 K HA 0.342 4.662 4.320 -0.001 0.000 0.251 104 K C 0.003 176.652 176.600 0.082 0.000 1.011 104 K CA 0.290 56.630 56.287 0.088 0.000 0.889 104 K CB 0.305 32.833 32.500 0.048 0.000 1.011 104 K HN 0.689 nan 8.250 nan 0.000 0.505 105 T N 4.012 118.593 114.554 0.044 0.000 2.799 105 T HA 0.111 4.460 4.350 -0.001 0.000 0.296 105 T C -2.031 172.617 174.700 -0.087 0.000 0.947 105 T CA -1.190 60.911 62.100 0.002 0.000 1.141 105 T CB 0.248 69.113 68.868 -0.005 0.000 0.891 105 T HN 0.422 nan 8.240 nan 0.000 0.533 106 P HA 0.170 nan 4.420 nan 0.000 0.269 106 P C -1.864 175.191 177.300 -0.409 0.000 1.209 106 P CA -1.411 61.505 63.100 -0.308 0.000 0.776 106 P CB 0.472 32.007 31.700 -0.275 0.000 0.876 107 P HA 0.005 nan 4.420 nan 0.000 0.234 107 P C -0.227 176.890 177.300 -0.304 0.000 1.167 107 P CA 0.877 63.663 63.100 -0.523 0.000 0.763 107 P CB -0.152 31.099 31.700 -0.748 0.000 0.835 108 F N -2.053 117.826 119.950 -0.117 0.000 2.678 108 F HA 0.661 5.187 4.527 -0.001 0.000 0.308 108 F C -3.201 172.576 175.800 -0.039 0.000 1.118 108 F CA -3.591 54.373 58.000 -0.060 0.000 0.959 108 F CB -0.270 38.703 39.000 -0.045 0.000 1.305 108 F HN -0.389 nan 8.300 nan 0.000 0.443 109 P HA 0.322 nan 4.420 nan 0.000 0.275 109 P C 0.111 177.555 177.300 0.241 0.000 1.228 109 P CA -0.224 62.976 63.100 0.166 0.000 0.786 109 P CB 2.075 33.839 31.700 0.106 0.000 0.927 110 V N -1.900 118.127 119.914 0.188 0.000 3.330 110 V HA 0.113 4.232 4.120 -0.001 0.000 0.309 110 V C 1.149 177.396 176.094 0.255 0.000 1.481 110 V CA 0.450 62.879 62.300 0.215 0.000 1.068 110 V CB -0.122 31.831 31.823 0.216 0.000 0.935 110 V HN 0.483 nan 8.190 nan 0.000 0.453 111 D N 1.890 122.411 120.400 0.202 0.000 2.240 111 D HA 0.055 4.694 4.640 -0.001 0.000 0.206 111 D C 1.886 178.309 176.300 0.204 0.000 0.963 111 D CA 1.333 55.474 54.000 0.234 0.000 0.863 111 D CB 0.458 41.341 40.800 0.138 0.000 0.973 111 D HN 0.490 nan 8.370 nan 0.000 0.501 112 A N 1.790 124.677 122.820 0.111 0.000 1.859 112 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 112 A C 2.547 180.145 177.584 0.023 0.000 1.198 112 A CA 2.549 54.620 52.037 0.057 0.000 0.629 112 A CB -1.652 17.360 19.000 0.020 0.000 0.830 112 A HN 0.367 nan 8.150 nan 0.000 0.446 113 G N -1.736 107.029 108.800 -0.059 0.000 2.503 113 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.221 113 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.221 113 G C 1.316 176.079 174.900 -0.229 0.000 1.131 113 G CA 1.048 46.024 45.100 -0.206 0.000 0.756 113 G HN 0.703 nan 8.290 nan 0.000 0.572 114 W N 0.123 121.417 121.300 -0.011 0.000 2.525 114 W HA 0.201 4.860 4.660 -0.001 0.000 0.259 114 W C 2.490 179.008 176.519 -0.002 0.000 1.253 114 W CA 0.083 57.424 57.345 -0.007 0.000 1.262 114 W CB 0.218 29.678 29.460 0.000 0.000 1.122 114 W HN 0.065 nan 8.180 nan 0.000 0.607 115 R N -0.083 120.516 120.500 0.164 0.000 2.359 115 R HA 0.190 4.529 4.340 -0.001 0.000 0.231 115 R C 1.604 177.930 176.300 0.042 0.000 0.913 115 R CA 0.572 56.732 56.100 0.100 0.000 1.075 115 R CB 0.097 30.442 30.300 0.076 0.000 1.087 115 R HN 0.204 nan 8.270 nan 0.000 0.515 116 G N 1.471 110.276 108.800 0.008 0.000 2.212 116 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.266 116 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.266 116 G C -0.023 174.858 174.900 -0.031 0.000 0.978 116 G CA 0.306 45.391 45.100 -0.025 0.000 0.632 116 G HN 0.425 nan 8.290 nan 0.000 0.537 117 E N 0.558 120.747 120.200 -0.019 0.000 2.371 117 E HA 0.458 4.807 4.350 -0.001 0.000 0.257 117 E C 0.377 176.954 176.600 -0.040 0.000 1.134 117 E CA -0.418 55.968 56.400 -0.022 0.000 0.919 117 E CB 0.893 30.588 29.700 -0.008 0.000 1.025 117 E HN 0.451 nan 8.360 nan 0.000 0.438 118 E N 1.034 121.211 120.200 -0.038 0.000 2.373 118 E HA -0.006 4.343 4.350 -0.001 0.000 0.267 118 E C -0.809 175.766 176.600 -0.043 0.000 1.032 118 E CA 0.001 56.373 56.400 -0.047 0.000 0.889 118 E CB 0.670 30.345 29.700 -0.041 0.000 0.984 118 E HN 0.305 nan 8.360 nan 0.000 0.425 119 E N 3.044 123.210 120.200 -0.056 0.000 2.166 119 E HA 0.201 4.551 4.350 -0.001 0.000 0.275 119 E C -0.918 175.651 176.600 -0.053 0.000 0.941 119 E CA -0.681 55.688 56.400 -0.051 0.000 0.784 119 E CB 1.565 31.223 29.700 -0.071 0.000 1.115 119 E HN 0.314 nan 8.360 nan 0.000 0.399 120 K N 2.665 123.042 120.400 -0.039 0.000 2.350 120 K HA 0.090 4.410 4.320 -0.001 0.000 0.279 120 K C -0.244 176.319 176.600 -0.062 0.000 1.027 120 K CA -0.068 56.195 56.287 -0.041 0.000 0.969 120 K CB 0.610 33.096 32.500 -0.023 0.000 0.954 120 K HN 0.435 nan 8.250 nan 0.000 0.474 121 E N 1.476 121.634 120.200 -0.070 0.000 2.344 121 E HA 0.178 4.527 4.350 -0.001 0.000 0.270 121 E C -0.387 176.155 176.600 -0.097 0.000 1.021 121 E CA -0.453 55.889 56.400 -0.096 0.000 0.887 121 E CB 0.935 30.586 29.700 -0.082 0.000 0.997 121 E HN 0.546 nan 8.360 nan 0.000 0.429 122 A N 2.641 125.369 122.820 -0.155 0.000 2.256 122 A HA 0.361 4.680 4.320 -0.001 0.000 0.318 122 A C 0.155 177.669 177.584 -0.115 0.000 1.103 122 A CA -0.696 51.260 52.037 -0.136 0.000 0.860 122 A CB 1.042 19.892 19.000 -0.251 0.000 1.182 122 A HN 0.645 nan 8.150 nan 0.000 0.501 123 S N 0.026 115.694 115.700 -0.053 0.000 2.546 123 S HA 0.007 4.476 4.470 -0.001 0.000 0.290 123 S C 0.767 175.337 174.600 -0.050 0.000 1.290 123 S CA 0.473 58.654 58.200 -0.031 0.000 1.069 123 S CB 0.418 63.625 63.200 0.012 0.000 0.846 123 S HN 0.722 nan 8.310 nan 0.000 0.495 124 E N 1.927 122.098 120.200 -0.049 0.000 2.097 124 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 124 E C 1.710 178.302 176.600 -0.013 0.000 1.000 124 E CA 1.856 58.227 56.400 -0.048 0.000 0.804 124 E CB -0.148 29.532 29.700 -0.033 0.000 0.740 124 E HN 0.930 nan 8.360 nan 0.000 0.454 125 E N 0.860 121.066 120.200 0.010 0.000 2.085 125 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 125 E C 2.038 178.674 176.600 0.059 0.000 0.994 125 E CA 0.726 57.144 56.400 0.030 0.000 0.801 125 E CB -0.289 29.431 29.700 0.033 0.000 0.743 125 E HN 0.213 nan 8.360 nan 0.000 0.453 126 L N -0.139 121.139 121.223 0.092 0.000 2.056 126 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 126 L C 2.430 179.475 176.870 0.291 0.000 1.078 126 L CA 1.378 56.352 54.840 0.223 0.000 0.749 126 L CB -0.169 42.038 42.059 0.247 0.000 0.901 126 L HN 0.162 nan 8.230 nan 0.000 0.433 127 R N -0.882 119.653 120.500 0.057 0.000 2.081 127 R HA -0.185 4.154 4.340 -0.001 0.000 0.235 127 R C 2.067 178.411 176.300 0.074 0.000 1.131 127 R CA 1.002 57.071 56.100 -0.050 0.000 0.960 127 R CB -0.235 29.925 30.300 -0.233 0.000 0.856 127 R HN 0.199 nan 8.270 nan 0.000 0.436 128 L N 1.345 122.595 121.223 0.045 0.000 2.027 128 L HA -0.142 4.197 4.340 -0.001 0.000 0.206 128 L C 2.277 179.170 176.870 0.039 0.000 1.074 128 L CA 1.726 56.596 54.840 0.050 0.000 0.745 128 L CB -0.757 41.326 42.059 0.039 0.000 0.898 128 L HN 0.072 nan 8.230 nan 0.000 0.433 129 K N -1.086 119.306 120.400 -0.014 0.000 2.103 129 K HA -0.201 4.118 4.320 -0.001 0.000 0.207 129 K C 0.219 176.574 176.600 -0.408 0.000 1.048 129 K CA 1.508 57.669 56.287 -0.210 0.000 0.930 129 K CB -0.051 32.263 32.500 -0.310 0.000 0.716 129 K HN 0.308 nan 8.250 nan 0.000 0.444 130 Y N -0.052 120.237 120.300 -0.018 0.000 2.631 130 Y HA 0.228 4.778 4.550 -0.001 0.000 0.361 130 Y C 0.923 176.641 175.900 -0.303 0.000 0.941 130 Y CA -0.746 57.141 58.100 -0.355 0.000 1.327 130 Y CB 0.745 39.004 38.460 -0.334 0.000 1.299 130 Y HN -0.064 nan 8.280 nan 0.000 0.578 131 R N 0.855 121.350 120.500 -0.008 0.000 2.117 131 R HA -0.247 4.092 4.340 -0.001 0.000 0.243 131 R C 1.583 177.954 176.300 0.118 0.000 1.143 131 R CA 2.179 58.340 56.100 0.103 0.000 0.968 131 R CB -0.826 29.617 30.300 0.237 0.000 0.863 131 R HN 0.681 nan 8.270 nan 0.000 0.444 132 Y N -1.772 118.717 120.300 0.315 0.000 2.403 132 Y HA 0.013 4.563 4.550 -0.001 0.000 0.291 132 Y C 1.613 177.618 175.900 0.176 0.000 1.143 132 Y CA 0.747 59.002 58.100 0.258 0.000 1.257 132 Y CB -0.538 38.074 38.460 0.252 0.000 0.984 132 Y HN -0.018 nan 8.280 nan 0.000 0.550 133 L N -0.179 121.024 121.223 -0.033 0.000 2.253 133 L HA 0.002 4.341 4.340 -0.001 0.000 0.205 133 L C 1.945 178.941 176.870 0.211 0.000 1.078 133 L CA 1.186 56.065 54.840 0.065 0.000 0.805 133 L CB -0.394 41.577 42.059 -0.146 0.000 0.963 133 L HN 0.165 nan 8.230 nan 0.000 0.459 134 D N 0.833 121.397 120.400 0.274 0.000 2.144 134 D HA -0.175 4.464 4.640 -0.001 0.000 0.199 134 D C 2.086 178.427 176.300 0.069 0.000 0.984 134 D CA 1.130 55.240 54.000 0.184 0.000 0.834 134 D CB 0.029 40.852 40.800 0.039 0.000 0.955 134 D HN 0.180 nan 8.370 nan 0.000 0.465 135 L N -0.147 121.104 121.223 0.048 0.000 2.622 135 L HA 0.087 4.427 4.340 -0.001 0.000 0.233 135 L C 2.085 178.982 176.870 0.045 0.000 1.156 135 L CA 0.238 55.081 54.840 0.005 0.000 0.866 135 L CB -0.161 41.876 42.059 -0.035 0.000 0.980 135 L HN 0.031 nan 8.230 nan 0.000 0.448 136 R N -0.302 120.246 120.500 0.080 0.000 2.246 136 R HA 0.076 4.415 4.340 -0.001 0.000 0.199 136 R C 0.623 177.104 176.300 0.302 0.000 0.984 136 R CA -0.026 56.131 56.100 0.096 0.000 1.015 136 R CB 0.169 30.476 30.300 0.012 0.000 0.930 136 R HN 0.314 nan 8.270 nan 0.000 0.475 137 R N 0.983 121.582 120.500 0.164 0.000 2.590 137 R HA 0.024 4.363 4.340 -0.001 0.000 0.274 137 R C 1.151 177.314 176.300 -0.227 0.000 1.061 137 R CA 0.010 56.125 56.100 0.024 0.000 1.081 137 R CB 0.543 30.805 30.300 -0.063 0.000 0.984 137 R HN 0.100 nan 8.270 nan 0.000 0.448 138 R N 2.303 122.272 120.500 -0.885 0.000 2.091 138 R HA -0.200 4.139 4.340 -0.001 0.000 0.238 138 R C 2.185 178.152 176.300 -0.554 0.000 1.136 138 R CA 1.747 57.106 56.100 -1.233 0.000 0.959 138 R CB -0.054 29.183 30.300 -1.771 0.000 0.856 138 R HN 0.518 nan 8.270 nan 0.000 0.437 139 R N -0.188 120.073 120.500 -0.399 0.000 2.091 139 R HA -0.139 4.200 4.340 -0.001 0.000 0.238 139 R C 2.028 178.222 176.300 -0.177 0.000 1.136 139 R CA 1.725 57.679 56.100 -0.244 0.000 0.959 139 R CB -0.082 30.100 30.300 -0.197 0.000 0.856 139 R HN 0.217 nan 8.270 nan 0.000 0.437 140 M N 0.622 120.127 119.600 -0.159 0.000 2.229 140 M HA -0.139 4.340 4.480 -0.001 0.000 0.264 140 M C 2.029 178.277 176.300 -0.086 0.000 1.063 140 M CA 1.562 56.796 55.300 -0.110 0.000 1.114 140 M CB -0.770 31.774 32.600 -0.093 0.000 1.387 140 M HN 0.251 nan 8.290 nan 0.000 0.420 141 Q N -0.250 119.501 119.800 -0.082 0.000 2.137 141 Q HA -0.117 4.222 4.340 -0.001 0.000 0.198 141 Q C 1.864 177.834 176.000 -0.051 0.000 0.960 141 Q CA 0.964 56.747 55.803 -0.033 0.000 0.847 141 Q CB -0.116 28.654 28.738 0.055 0.000 0.915 141 Q HN 0.620 nan 8.270 nan 0.000 0.448 142 E N 0.860 121.002 120.200 -0.098 0.000 2.077 142 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 142 E C 1.783 178.349 176.600 -0.057 0.000 0.989 142 E CA 0.776 57.127 56.400 -0.082 0.000 0.800 142 E CB 0.012 29.642 29.700 -0.117 0.000 0.746 142 E HN 0.312 nan 8.360 nan 0.000 0.452 143 N N 0.953 119.614 118.700 -0.065 0.000 2.058 143 N HA -0.135 4.605 4.740 -0.001 0.000 0.191 143 N C 1.987 177.485 175.510 -0.021 0.000 1.037 143 N CA 0.941 53.963 53.050 -0.047 0.000 0.848 143 N CB -0.366 38.087 38.487 -0.057 0.000 1.021 143 N HN 0.143 nan 8.380 nan 0.000 0.422 144 L N 0.760 121.970 121.223 -0.022 0.000 2.046 144 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 144 L C 2.391 179.286 176.870 0.042 0.000 1.077 144 L CA 1.066 55.909 54.840 0.006 0.000 0.747 144 L CB -0.264 41.789 42.059 -0.009 0.000 0.896 144 L HN 0.147 nan 8.230 nan 0.000 0.432 145 R N -0.381 120.131 120.500 0.019 0.000 2.115 145 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 145 R C 2.198 178.544 176.300 0.076 0.000 1.111 145 R CA 0.965 57.083 56.100 0.031 0.000 0.976 145 R CB -0.357 29.933 30.300 -0.017 0.000 0.870 145 R HN 0.194 nan 8.270 nan 0.000 0.445 146 L N 1.080 122.323 121.223 0.034 0.000 2.093 146 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 146 L C 2.468 179.367 176.870 0.048 0.000 1.085 146 L CA 1.552 56.405 54.840 0.022 0.000 0.755 146 L CB -0.267 41.777 42.059 -0.025 0.000 0.904 146 L HN -0.020 nan 8.230 nan 0.000 0.435 147 R N -1.655 118.882 120.500 0.061 0.000 2.081 147 R HA -0.260 4.079 4.340 -0.001 0.000 0.235 147 R C 2.409 178.775 176.300 0.110 0.000 1.131 147 R CA 1.822 57.968 56.100 0.076 0.000 0.960 147 R CB -0.424 29.921 30.300 0.075 0.000 0.856 147 R HN 0.636 nan 8.270 nan 0.000 0.436 148 H N -0.098 118.997 119.070 0.041 0.000 2.293 148 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 148 H C 2.145 177.509 175.328 0.059 0.000 1.082 148 H CA 2.246 58.325 56.048 0.052 0.000 1.308 148 H CB -0.050 29.734 29.762 0.036 0.000 1.375 148 H HN 0.038 nan 8.280 nan 0.000 0.495 149 R N 0.478 121.085 120.500 0.178 0.000 2.083 149 R HA -0.099 4.240 4.340 -0.001 0.000 0.237 149 R C 2.361 178.682 176.300 0.034 0.000 1.137 149 R CA 1.709 57.876 56.100 0.111 0.000 0.951 149 R CB -1.008 29.358 30.300 0.110 0.000 0.851 149 R HN 0.355 nan 8.270 nan 0.000 0.434 150 V N 0.601 120.536 119.914 0.034 0.000 2.332 150 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 150 V C 2.283 178.429 176.094 0.087 0.000 1.055 150 V CA 2.112 64.441 62.300 0.049 0.000 1.038 150 V CB -0.383 31.470 31.823 0.049 0.000 0.651 150 V HN 0.326 nan 8.190 nan 0.000 0.450 151 I N -0.336 120.281 120.570 0.077 0.000 2.353 151 I HA -0.172 3.997 4.170 -0.001 0.000 0.248 151 I C 2.528 178.772 176.117 0.211 0.000 1.119 151 I CA 1.225 62.614 61.300 0.150 0.000 1.417 151 I CB -0.349 37.742 38.000 0.152 0.000 1.078 151 I HN 0.234 nan 8.210 nan 0.000 0.421 152 K N 1.924 122.344 120.400 0.033 0.000 2.097 152 K HA -0.090 4.229 4.320 -0.001 0.000 0.206 152 K C 2.000 178.709 176.600 0.181 0.000 1.049 152 K CA 1.754 58.071 56.287 0.049 0.000 0.933 152 K CB -0.398 32.033 32.500 -0.115 0.000 0.717 152 K HN 0.257 nan 8.250 nan 0.000 0.442 153 A N 0.522 123.440 122.820 0.164 0.000 1.930 153 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 153 A C 2.249 180.005 177.584 0.287 0.000 1.175 153 A CA 1.478 53.675 52.037 0.266 0.000 0.627 153 A CB -0.565 18.535 19.000 0.167 0.000 0.815 153 A HN 0.336 nan 8.150 nan 0.000 0.443 154 I N -2.568 118.097 120.570 0.159 0.000 2.179 154 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 154 I C 2.439 178.479 176.117 -0.128 0.000 1.088 154 I CA 1.302 62.582 61.300 -0.033 0.000 1.357 154 I CB -0.342 37.574 38.000 -0.140 0.000 1.051 154 I HN 0.520 nan 8.210 nan 0.000 0.409 155 W N 1.567 122.816 121.300 -0.086 0.000 2.355 155 W HA -0.210 4.449 4.660 -0.001 0.000 0.309 155 W C 2.388 178.865 176.519 -0.070 0.000 1.206 155 W CA 1.359 58.672 57.345 -0.054 0.000 1.284 155 W CB -0.413 29.103 29.460 0.092 0.000 1.145 155 W HN 0.130 nan 8.180 nan 0.000 0.502 156 D N -0.843 119.699 120.400 0.238 0.000 2.104 156 D HA -0.222 4.418 4.640 -0.001 0.000 0.194 156 D C 1.871 178.154 176.300 -0.028 0.000 0.994 156 D CA 1.437 55.515 54.000 0.130 0.000 0.830 156 D CB -0.987 39.918 40.800 0.176 0.000 0.959 156 D HN 0.114 nan 8.370 nan 0.000 0.452 157 F N 1.036 120.836 119.950 -0.250 0.000 2.113 157 F HA -0.074 4.452 4.527 -0.001 0.000 0.297 157 F C 2.210 177.800 175.800 -0.350 0.000 1.103 157 F CA 1.071 58.829 58.000 -0.404 0.000 1.248 157 F CB -0.138 38.574 39.000 -0.480 0.000 0.999 157 F HN -0.135 nan 8.300 nan 0.000 0.475 158 L N -0.057 120.987 121.223 -0.298 0.000 2.156 158 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 158 L C 1.997 178.715 176.870 -0.254 0.000 1.095 158 L CA 1.572 56.091 54.840 -0.535 0.000 0.770 158 L CB -0.779 40.535 42.059 -1.242 0.000 0.914 158 L HN 0.210 nan 8.230 nan 0.000 0.439 159 D N 0.331 120.635 120.400 -0.160 0.000 2.097 159 D HA -0.251 4.388 4.640 -0.001 0.000 0.195 159 D C 2.350 178.634 176.300 -0.026 0.000 0.989 159 D CA 1.184 55.202 54.000 0.030 0.000 0.827 159 D CB 0.091 40.979 40.800 0.146 0.000 0.966 159 D HN 0.030 nan 8.370 nan 0.000 0.456 160 R N -0.014 120.405 120.500 -0.135 0.000 2.115 160 R HA -0.067 4.272 4.340 -0.001 0.000 0.230 160 R C 1.262 177.442 176.300 -0.200 0.000 1.111 160 R CA 1.062 57.056 56.100 -0.177 0.000 0.976 160 R CB 0.046 30.188 30.300 -0.264 0.000 0.870 160 R HN 0.155 nan 8.270 nan 0.000 0.445 161 E N -0.519 119.525 120.200 -0.260 0.000 2.494 161 E HA 0.032 4.381 4.350 -0.001 0.000 0.193 161 E C 0.726 177.382 176.600 0.093 0.000 1.074 161 E CA 0.764 57.093 56.400 -0.118 0.000 0.867 161 E CB 0.589 30.221 29.700 -0.114 0.000 0.924 161 E HN 0.623 nan 8.360 nan 0.000 0.502 162 G N 1.173 110.019 108.800 0.075 0.000 2.136 162 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.242 162 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.242 162 G C -0.032 174.929 174.900 0.101 0.000 0.989 162 G CA -0.198 44.943 45.100 0.067 0.000 0.682 162 G HN 0.169 nan 8.290 nan 0.000 0.522 163 F N 0.089 120.026 119.950 -0.021 0.000 2.399 163 F HA 0.533 5.059 4.527 -0.001 0.000 0.342 163 F C 0.944 176.828 175.800 0.139 0.000 1.106 163 F CA -0.644 57.388 58.000 0.052 0.000 1.196 163 F CB 1.548 40.548 39.000 0.000 0.000 1.163 163 F HN -0.017 nan 8.300 nan 0.000 0.547 164 V N 3.753 123.819 119.914 0.253 0.000 2.370 164 V HA 0.208 4.327 4.120 -0.001 0.000 0.279 164 V C 0.015 176.134 176.094 0.040 0.000 1.029 164 V CA -0.977 61.419 62.300 0.161 0.000 0.870 164 V CB 1.186 33.069 31.823 0.099 0.000 0.984 164 V HN 0.603 nan 8.190 nan 0.000 0.451 165 Q N 3.809 123.495 119.800 -0.190 0.000 2.293 165 Q HA 0.390 4.729 4.340 -0.001 0.000 0.263 165 Q C -1.336 174.482 176.000 -0.305 0.000 1.002 165 Q CA 0.019 55.339 55.803 -0.805 0.000 0.910 165 Q CB 1.488 29.562 28.738 -1.107 0.000 1.185 165 Q HN 0.609 nan 8.270 nan 0.000 0.401 166 V N 4.462 124.248 119.914 -0.212 0.000 2.531 166 V HA 0.272 4.391 4.120 -0.001 0.000 0.301 166 V C -0.796 175.333 176.094 0.058 0.000 1.034 166 V CA -0.861 61.460 62.300 0.036 0.000 0.865 166 V CB 2.015 33.966 31.823 0.213 0.000 0.995 166 V HN 0.761 nan 8.190 nan 0.000 0.424 167 E N 2.601 122.807 120.200 0.010 0.000 2.194 167 E HA 0.478 4.827 4.350 -0.001 0.000 0.284 167 E C 0.171 176.756 176.600 -0.025 0.000 1.035 167 E CA -0.307 56.097 56.400 0.007 0.000 0.836 167 E CB 1.182 30.869 29.700 -0.022 0.000 1.070 167 E HN 0.845 nan 8.360 nan 0.000 0.401 168 T N 0.325 114.870 114.554 -0.015 0.000 2.944 168 T HA 0.540 4.890 4.350 -0.001 0.000 0.284 168 T C -2.314 172.258 174.700 -0.213 0.000 1.010 168 T CA -2.310 59.662 62.100 -0.214 0.000 1.025 168 T CB 1.003 69.744 68.868 -0.212 0.000 1.079 168 T HN 0.076 nan 8.240 nan 0.000 0.516 169 P HA 0.268 nan 4.420 nan 0.000 0.269 169 P C -0.371 176.966 177.300 0.062 0.000 1.215 169 P CA -0.455 62.483 63.100 -0.269 0.000 0.780 169 P CB 0.269 31.700 31.700 -0.449 0.000 0.898 170 F N -0.272 119.555 119.950 -0.206 0.000 2.602 170 F HA 0.247 4.773 4.527 -0.001 0.000 0.284 170 F C 1.100 176.782 175.800 -0.197 0.000 1.111 170 F CA 0.385 58.286 58.000 -0.166 0.000 1.405 170 F CB -0.078 38.820 39.000 -0.170 0.000 1.121 170 F HN 0.088 nan 8.300 nan 0.000 0.603 171 L N 0.844 122.020 121.223 -0.078 0.000 2.397 171 L HA 0.286 4.625 4.340 -0.001 0.000 0.263 171 L C 0.352 177.135 176.870 -0.144 0.000 1.136 171 L CA 0.034 54.691 54.840 -0.304 0.000 1.019 171 L CB 0.041 41.611 42.059 -0.816 0.000 1.352 171 L HN 0.035 nan 8.230 nan 0.000 0.420 172 T N 0.291 114.882 114.554 0.061 0.000 2.551 172 T HA 0.413 4.762 4.350 -0.001 0.000 0.249 172 T C -0.752 174.063 174.700 0.191 0.000 0.851 172 T CA -0.491 61.707 62.100 0.164 0.000 1.149 172 T CB 1.789 70.818 68.868 0.268 0.000 1.456 172 T HN 0.199 nan 8.240 nan 0.000 0.514 173 K N 1.120 121.619 120.400 0.165 0.000 2.098 173 K HA 0.605 4.924 4.320 -0.001 0.000 0.258 173 K C -0.358 176.323 176.600 0.135 0.000 0.973 173 K CA -0.302 56.054 56.287 0.115 0.000 0.898 173 K CB 1.430 33.960 32.500 0.051 0.000 1.057 173 K HN 0.495 nan 8.250 nan 0.000 0.447 174 S N 1.492 117.260 115.700 0.113 0.000 2.546 174 S HA 0.082 4.551 4.470 -0.001 0.000 0.290 174 S C -0.681 174.013 174.600 0.156 0.000 1.290 174 S CA 0.119 58.389 58.200 0.116 0.000 1.069 174 S CB -0.224 63.021 63.200 0.074 0.000 0.846 174 S HN 0.527 nan 8.310 nan 0.000 0.495 175 T N 7.772 122.419 114.554 0.155 0.000 2.792 175 T HA 0.467 4.817 4.350 -0.001 0.000 0.280 175 T C -2.701 172.097 174.700 0.163 0.000 0.990 175 T CA -1.172 61.023 62.100 0.159 0.000 0.960 175 T CB 1.710 70.638 68.868 0.100 0.000 0.939 175 T HN 0.506 nan 8.240 nan 0.000 0.439 176 P HA 0.362 nan 4.420 nan 0.000 0.280 176 P C -0.201 177.087 177.300 -0.020 0.000 1.386 176 P CA -0.271 62.894 63.100 0.108 0.000 0.899 176 P CB 0.933 32.694 31.700 0.102 0.000 1.098 177 E N 2.125 122.369 120.200 0.073 0.000 2.660 177 E HA 0.204 4.553 4.350 -0.001 0.000 0.216 177 E C 1.353 178.051 176.600 0.164 0.000 0.986 177 E CA -0.028 56.414 56.400 0.070 0.000 1.037 177 E CB 0.446 30.212 29.700 0.110 0.000 1.041 177 E HN 0.726 nan 8.360 nan 0.000 0.480 178 G N 0.892 109.848 108.800 0.259 0.000 2.194 178 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.236 178 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.236 178 G C 0.534 175.520 174.900 0.143 0.000 0.987 178 G CA 0.177 45.439 45.100 0.269 0.000 0.635 178 G HN 0.513 nan 8.290 nan 0.000 0.520 179 A N -0.451 122.444 122.820 0.125 0.000 2.373 179 A HA 0.911 5.230 4.320 -0.001 0.000 0.291 179 A C 0.433 178.044 177.584 0.046 0.000 1.171 179 A CA -0.039 52.044 52.037 0.076 0.000 0.922 179 A CB 0.880 19.936 19.000 0.092 0.000 1.400 179 A HN 0.548 nan 8.150 nan 0.000 0.474 180 R N 0.024 120.515 120.500 -0.015 0.000 2.500 180 R HA 0.326 4.665 4.340 -0.001 0.000 0.277 180 R C -1.293 174.952 176.300 -0.092 0.000 1.026 180 R CA -0.539 55.522 56.100 -0.065 0.000 1.058 180 R CB 0.578 30.805 30.300 -0.122 0.000 1.078 180 R HN 0.737 nan 8.270 nan 0.000 0.509 181 D N 2.524 122.883 120.400 -0.068 0.000 2.225 181 D HA 0.145 4.784 4.640 -0.001 0.000 0.249 181 D C -0.572 175.685 176.300 -0.072 0.000 1.052 181 D CA 0.056 54.047 54.000 -0.016 0.000 0.909 181 D CB 0.833 41.658 40.800 0.041 0.000 1.186 181 D HN 0.284 nan 8.370 nan 0.000 0.431 182 F N 1.031 121.021 119.950 0.066 0.000 2.396 182 F HA 0.267 4.793 4.527 -0.001 0.000 0.343 182 F C 0.652 176.470 175.800 0.030 0.000 1.104 182 F CA -0.453 57.578 58.000 0.051 0.000 1.161 182 F CB 0.753 39.796 39.000 0.072 0.000 1.146 182 F HN -0.042 nan 8.300 nan 0.000 0.522 183 L N 3.546 124.900 121.223 0.217 0.000 2.334 183 L HA 0.720 5.059 4.340 -0.001 0.000 0.270 183 L C -0.946 176.085 176.870 0.268 0.000 1.018 183 L CA -1.198 53.749 54.840 0.179 0.000 0.811 183 L CB 1.890 43.931 42.059 -0.030 0.000 1.271 183 L HN 0.186 nan 8.230 nan 0.000 0.443 184 V N 2.019 122.152 119.914 0.365 0.000 2.419 184 V HA 0.290 4.409 4.120 -0.001 0.000 0.287 184 V C -2.252 174.080 176.094 0.396 0.000 1.017 184 V CA -1.505 61.005 62.300 0.350 0.000 0.844 184 V CB 1.648 33.662 31.823 0.318 0.000 1.011 184 V HN 0.586 nan 8.190 nan 0.000 0.429 185 P HA 0.023 nan 4.420 nan 0.000 0.268 185 P C -1.148 176.136 177.300 -0.028 0.000 1.204 185 P CA -0.017 63.071 63.100 -0.020 0.000 0.768 185 P CB 0.584 32.273 31.700 -0.018 0.000 0.842 186 Y N 3.716 123.790 120.300 -0.378 0.000 2.454 186 Y HA 0.249 4.798 4.550 -0.001 0.000 0.345 186 Y C 1.769 177.525 175.900 -0.241 0.000 0.970 186 Y CA -0.635 57.278 58.100 -0.312 0.000 1.204 186 Y CB 0.445 38.597 38.460 -0.513 0.000 1.122 186 Y HN 0.351 nan 8.280 nan 0.000 0.514 187 R N 2.431 122.656 120.500 -0.458 0.000 2.103 187 R HA -0.223 4.116 4.340 -0.001 0.000 0.242 187 R C 0.903 176.782 176.300 -0.700 0.000 1.142 187 R CA 2.376 58.147 56.100 -0.547 0.000 0.960 187 R CB -0.153 29.830 30.300 -0.529 0.000 0.858 187 R HN 0.925 nan 8.270 nan 0.000 0.439 188 H N -1.313 117.253 119.070 -0.840 0.000 2.559 188 H HA 0.121 4.676 4.556 -0.002 0.000 0.273 188 H C -0.061 175.047 175.328 -0.366 0.000 1.000 188 H CA 0.903 56.614 56.048 -0.562 0.000 1.195 188 H CB 0.243 29.694 29.762 -0.519 0.000 1.368 188 H HN 0.239 nan 8.280 nan 0.000 0.592 189 E N 0.524 120.556 120.200 -0.280 0.000 2.759 189 E HA 0.204 4.554 4.350 -0.001 0.000 0.318 189 E C -2.857 173.684 176.600 -0.099 0.000 1.093 189 E CA -2.157 54.208 56.400 -0.058 0.000 0.762 189 E CB 0.925 30.696 29.700 0.119 0.000 1.543 189 E HN 0.011 nan 8.360 nan 0.000 0.381 190 P HA 0.038 nan 4.420 nan 0.000 0.261 190 P C 0.652 177.870 177.300 -0.136 0.000 1.173 190 P CA 1.501 64.500 63.100 -0.168 0.000 0.760 190 P CB 0.804 32.437 31.700 -0.110 0.000 0.783 191 G N 1.973 110.634 108.800 -0.232 0.000 2.278 191 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.210 191 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.210 191 G C -0.173 174.655 174.900 -0.121 0.000 1.000 191 G CA -0.517 44.545 45.100 -0.063 0.000 0.635 191 G HN 0.451 nan 8.290 nan 0.000 0.495 192 L N 0.824 121.875 121.223 -0.287 0.000 2.312 192 L HA 0.774 5.113 4.340 -0.001 0.000 0.281 192 L C -0.155 176.403 176.870 -0.521 0.000 1.070 192 L CA -0.683 54.032 54.840 -0.207 0.000 0.805 192 L CB 0.946 42.959 42.059 -0.076 0.000 1.174 192 L HN 0.096 nan 8.230 nan 0.000 0.434 193 F N 0.614 120.502 119.950 -0.104 0.000 2.603 193 F HA 0.507 5.034 4.527 -0.001 0.000 0.317 193 F C -0.422 175.289 175.800 -0.149 0.000 1.066 193 F CA -0.702 57.240 58.000 -0.096 0.000 0.941 193 F CB 1.604 40.604 39.000 0.001 0.000 1.291 193 F HN 0.145 nan 8.300 nan 0.000 0.472 194 Y N 0.740 121.173 120.300 0.221 0.000 2.488 194 Y HA 0.736 5.285 4.550 -0.001 0.000 0.325 194 Y C 0.075 176.058 175.900 0.137 0.000 1.204 194 Y CA -1.294 56.875 58.100 0.114 0.000 1.229 194 Y CB 1.482 39.988 38.460 0.076 0.000 1.274 194 Y HN 0.620 nan 8.280 nan 0.000 0.493 195 A N 2.385 125.370 122.820 0.275 0.000 2.342 195 A HA 0.678 4.997 4.320 -0.001 0.000 0.323 195 A C -1.027 176.622 177.584 0.109 0.000 1.125 195 A CA -0.769 51.374 52.037 0.176 0.000 0.785 195 A CB 0.528 19.612 19.000 0.139 0.000 1.221 195 A HN 0.769 nan 8.150 nan 0.000 0.463 196 L N 3.440 124.691 121.223 0.047 0.000 2.439 196 L HA 0.317 4.656 4.340 -0.001 0.000 0.269 196 L C -1.759 175.111 176.870 -0.001 0.000 1.179 196 L CA -1.584 53.166 54.840 -0.151 0.000 0.828 196 L CB 0.913 42.689 42.059 -0.473 0.000 1.106 196 L HN 0.523 nan 8.230 nan 0.000 0.467 197 P HA 0.071 nan 4.420 nan 0.000 0.276 197 P C -0.617 176.777 177.300 0.156 0.000 1.230 197 P CA -0.323 62.828 63.100 0.085 0.000 0.776 197 P CB 1.095 32.820 31.700 0.041 0.000 0.888 198 Q N 1.073 120.964 119.800 0.152 0.000 2.311 198 Q HA 0.035 4.375 4.340 -0.001 0.000 0.203 198 Q C 0.719 176.778 176.000 0.098 0.000 0.954 198 Q CA 0.861 56.761 55.803 0.162 0.000 0.885 198 Q CB 0.192 29.029 28.738 0.165 0.000 0.963 198 Q HN 0.719 nan 8.270 nan 0.000 0.471 199 S N -2.142 113.604 115.700 0.077 0.000 2.627 199 S HA 0.244 4.713 4.470 -0.001 0.000 0.268 199 S C -2.859 171.796 174.600 0.091 0.000 1.130 199 S CA -1.097 57.138 58.200 0.057 0.000 0.819 199 S CB 1.024 64.275 63.200 0.085 0.000 1.100 199 S HN -0.240 nan 8.310 nan 0.000 0.465 200 P HA 0.256 nan 4.420 nan 0.000 0.257 200 P C 1.263 178.616 177.300 0.087 0.000 1.281 200 P CA 0.044 63.256 63.100 0.186 0.000 0.826 200 P CB 0.205 32.017 31.700 0.186 0.000 1.237 201 Q N 1.131 120.921 119.800 -0.015 0.000 2.028 201 Q HA -0.245 4.095 4.340 -0.001 0.000 0.215 201 Q C 1.766 177.541 176.000 -0.376 0.000 1.041 201 Q CA 2.159 57.851 55.803 -0.185 0.000 0.897 201 Q CB -1.414 27.151 28.738 -0.288 0.000 1.017 201 Q HN 0.196 nan 8.270 nan 0.000 0.418 202 L N -1.086 119.801 121.223 -0.560 0.000 2.131 202 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 202 L C 2.329 178.921 176.870 -0.463 0.000 1.092 202 L CA 1.122 55.496 54.840 -0.776 0.000 0.759 202 L CB -0.476 41.120 42.059 -0.771 0.000 0.903 202 L HN 0.240 nan 8.230 nan 0.000 0.435 203 F N 0.766 120.623 119.950 -0.155 0.000 2.163 203 F HA -0.193 4.333 4.527 -0.001 0.000 0.297 203 F C 2.655 178.302 175.800 -0.255 0.000 1.094 203 F CA 1.347 59.267 58.000 -0.134 0.000 1.290 203 F CB -0.325 38.607 39.000 -0.114 0.000 1.017 203 F HN 0.070 nan 8.300 nan 0.000 0.483 204 K N 0.487 120.760 120.400 -0.212 0.000 2.147 204 K HA -0.192 4.127 4.320 -0.001 0.000 0.205 204 K C 1.680 178.118 176.600 -0.270 0.000 1.049 204 K CA 1.541 57.520 56.287 -0.513 0.000 0.936 204 K CB -0.585 31.534 32.500 -0.634 0.000 0.722 204 K HN 0.360 nan 8.250 nan 0.000 0.446 205 Q N 0.440 120.143 119.800 -0.162 0.000 2.123 205 Q HA 0.020 4.359 4.340 -0.001 0.000 0.199 205 Q C 2.194 178.126 176.000 -0.114 0.000 0.966 205 Q CA 1.441 57.186 55.803 -0.097 0.000 0.845 205 Q CB -0.097 28.681 28.738 0.066 0.000 0.907 205 Q HN 0.419 nan 8.270 nan 0.000 0.439 206 M N -0.105 119.485 119.600 -0.016 0.000 2.296 206 M HA -0.127 4.352 4.480 -0.001 0.000 0.265 206 M C 1.578 177.848 176.300 -0.049 0.000 1.064 206 M CA 0.726 56.038 55.300 0.019 0.000 1.109 206 M CB 0.017 32.679 32.600 0.103 0.000 1.396 206 M HN 0.186 nan 8.290 nan 0.000 0.430 207 L N -0.084 121.082 121.223 -0.096 0.000 2.217 207 L HA -0.099 4.240 4.340 -0.001 0.000 0.211 207 L C 2.244 179.045 176.870 -0.116 0.000 1.107 207 L CA 1.500 56.282 54.840 -0.097 0.000 0.783 207 L CB -0.681 41.283 42.059 -0.159 0.000 0.919 207 L HN 0.318 nan 8.230 nan 0.000 0.442 208 M N -1.840 117.642 119.600 -0.197 0.000 2.193 208 M HA -0.042 4.437 4.480 -0.001 0.000 0.265 208 M C 2.288 178.437 176.300 -0.250 0.000 1.071 208 M CA 0.993 56.133 55.300 -0.266 0.000 1.140 208 M CB -0.980 31.323 32.600 -0.496 0.000 1.369 208 M HN 0.001 nan 8.290 nan 0.000 0.423 209 V N 0.802 120.574 119.914 -0.236 0.000 2.594 209 V HA -0.177 3.942 4.120 -0.001 0.000 0.253 209 V C 2.462 178.511 176.094 -0.076 0.000 1.069 209 V CA 1.643 63.857 62.300 -0.144 0.000 1.082 209 V CB -1.239 30.524 31.823 -0.100 0.000 0.680 209 V HN 0.482 nan 8.190 nan 0.000 0.469 210 A N -0.663 122.116 122.820 -0.068 0.000 2.238 210 A HA 0.391 4.710 4.320 -0.001 0.000 0.208 210 A C 1.956 179.525 177.584 -0.025 0.000 1.177 210 A CA 1.000 53.014 52.037 -0.038 0.000 0.804 210 A CB -0.405 18.579 19.000 -0.027 0.000 0.823 210 A HN 1.174 nan 8.150 nan 0.000 0.482 211 G N -1.408 107.373 108.800 -0.033 0.000 2.141 211 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.242 211 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.242 211 G C 0.005 174.907 174.900 0.003 0.000 0.982 211 G CA 0.170 45.269 45.100 -0.002 0.000 0.662 211 G HN 0.430 nan 8.290 nan 0.000 0.527 212 L N 1.125 122.341 121.223 -0.012 0.000 2.268 212 L HA 0.327 4.666 4.340 -0.001 0.000 0.289 212 L C 1.555 178.415 176.870 -0.017 0.000 1.064 212 L CA -0.198 54.642 54.840 0.000 0.000 0.824 212 L CB 1.154 43.224 42.059 0.019 0.000 1.202 212 L HN 0.232 nan 8.230 nan 0.000 0.433 213 D N 3.124 123.514 120.400 -0.017 0.000 2.158 213 D HA -0.152 4.487 4.640 -0.001 0.000 0.197 213 D C 0.430 176.663 176.300 -0.112 0.000 0.995 213 D CA 1.482 55.465 54.000 -0.027 0.000 0.846 213 D CB 0.440 41.242 40.800 0.002 0.000 0.941 213 D HN 0.523 nan 8.370 nan 0.000 0.456 214 R N -1.173 119.210 120.500 -0.195 0.000 2.548 214 R HA 0.407 4.746 4.340 -0.001 0.000 0.280 214 R C -1.572 174.637 176.300 -0.152 0.000 1.061 214 R CA -1.083 54.771 56.100 -0.410 0.000 0.915 214 R CB 0.785 30.387 30.300 -1.163 0.000 1.210 214 R HN 0.138 nan 8.270 nan 0.000 0.442 215 Y N 3.627 123.917 120.300 -0.017 0.000 2.536 215 Y HA 0.765 5.314 4.550 -0.001 0.000 0.347 215 Y C -1.642 174.534 175.900 0.460 0.000 1.000 215 Y CA -1.259 56.957 58.100 0.193 0.000 1.051 215 Y CB 2.024 40.531 38.460 0.078 0.000 1.259 215 Y HN 0.742 nan 8.280 nan 0.000 0.468 216 F N 2.174 121.532 119.950 -0.987 0.000 2.711 216 F HA 0.738 5.264 4.527 -0.001 0.000 0.313 216 F C -1.922 173.218 175.800 -1.099 0.000 1.141 216 F CA -0.778 56.569 58.000 -1.088 0.000 0.941 216 F CB 2.055 40.698 39.000 -0.595 0.000 1.349 216 F HN 0.722 nan 8.300 nan 0.000 0.464 217 Q N 1.967 121.290 119.800 -0.795 0.000 2.574 217 Q HA 0.373 4.712 4.340 -0.001 0.000 0.265 217 Q C -2.144 173.731 176.000 -0.208 0.000 0.975 217 Q CA -0.767 54.683 55.803 -0.588 0.000 0.923 217 Q CB 2.304 30.889 28.738 -0.256 0.000 1.518 217 Q HN 0.793 nan 8.270 nan 0.000 0.401 218 I N 2.951 123.455 120.570 -0.109 0.000 2.256 218 I HA 0.378 4.547 4.170 -0.001 0.000 0.294 218 I C 0.207 176.354 176.117 0.050 0.000 1.127 218 I CA 0.059 61.374 61.300 0.024 0.000 1.247 218 I CB -0.197 37.876 38.000 0.121 0.000 1.460 218 I HN 0.595 nan 8.210 nan 0.000 0.511 219 A N 6.598 129.440 122.820 0.036 0.000 2.309 219 A HA 0.612 4.931 4.320 -0.001 0.000 0.298 219 A C 0.299 177.856 177.584 -0.045 0.000 1.165 219 A CA -0.591 51.475 52.037 0.048 0.000 0.821 219 A CB 0.588 19.622 19.000 0.057 0.000 1.102 219 A HN 0.600 nan 8.150 nan 0.000 0.500 220 R N 1.388 121.866 120.500 -0.037 0.000 2.254 220 R HA 0.519 4.858 4.340 -0.001 0.000 0.318 220 R C -1.207 174.771 176.300 -0.537 0.000 1.031 220 R CA 0.004 55.943 56.100 -0.268 0.000 0.905 220 R CB 0.191 30.459 30.300 -0.053 0.000 1.050 220 R HN 0.727 nan 8.270 nan 0.000 0.456 221 C N 4.695 123.452 119.300 -0.905 0.000 2.435 221 C HA 0.642 5.102 4.460 -0.001 0.000 0.333 221 C C -1.102 173.346 174.990 -0.904 0.000 1.202 221 C CA -0.719 57.803 59.018 -0.827 0.000 1.830 221 C CB 0.589 27.667 27.740 -1.104 0.000 2.326 221 C HN 0.693 nan 8.230 nan 0.000 0.507 222 F N 1.671 121.535 119.950 -0.143 0.000 2.518 222 F HA 0.654 5.180 4.527 -0.001 0.000 0.323 222 F C 0.432 176.431 175.800 0.331 0.000 1.129 222 F CA -0.669 57.422 58.000 0.153 0.000 0.920 222 F CB 1.068 40.150 39.000 0.138 0.000 1.160 222 F HN 0.352 nan 8.300 nan 0.000 0.440 223 R N 1.267 122.123 120.500 0.594 0.000 2.510 223 R HA 0.206 4.545 4.340 -0.001 0.000 0.294 223 R C -1.575 174.856 176.300 0.218 0.000 1.056 223 R CA -0.821 55.495 56.100 0.361 0.000 0.918 223 R CB 2.111 32.615 30.300 0.340 0.000 1.187 223 R HN 0.431 nan 8.270 nan 0.000 0.437 224 D N 4.189 124.430 120.400 -0.264 0.000 2.551 224 D HA 0.021 4.660 4.640 -0.001 0.000 0.223 224 D C -0.298 175.887 176.300 -0.191 0.000 1.144 224 D CA 0.150 53.793 54.000 -0.596 0.000 1.025 224 D CB 0.308 40.437 40.800 -1.117 0.000 1.085 224 D HN 0.566 nan 8.370 nan 0.000 0.506 225 E N 0.541 120.723 120.200 -0.029 0.000 2.431 225 E HA 0.372 4.721 4.350 -0.001 0.000 0.268 225 E C -0.820 175.791 176.600 0.020 0.000 0.953 225 E CA -1.007 55.391 56.400 -0.004 0.000 0.810 225 E CB 0.698 30.410 29.700 0.021 0.000 1.369 225 E HN -0.131 nan 8.360 nan 0.000 0.440 226 D N 0.980 121.388 120.400 0.013 0.000 2.487 226 D HA 0.149 4.788 4.640 -0.001 0.000 0.243 226 D C -0.354 175.959 176.300 0.023 0.000 1.154 226 D CA 0.445 54.456 54.000 0.018 0.000 0.876 226 D CB 0.444 41.251 40.800 0.011 0.000 1.161 226 D HN 0.261 nan 8.370 nan 0.000 0.478 227 L N 3.674 124.916 121.223 0.032 0.000 2.325 227 L HA 0.592 4.932 4.340 -0.001 0.000 0.279 227 L C 0.733 177.614 176.870 0.019 0.000 1.054 227 L CA -0.690 54.168 54.840 0.031 0.000 0.804 227 L CB 1.070 43.161 42.059 0.055 0.000 1.200 227 L HN 0.330 nan 8.230 nan 0.000 0.436 228 R N 1.280 121.785 120.500 0.008 0.000 2.781 228 R HA 0.562 4.901 4.340 -0.001 0.000 0.268 228 R C 0.242 176.540 176.300 -0.003 0.000 1.047 228 R CA -0.582 55.520 56.100 0.003 0.000 0.925 228 R CB 0.954 31.254 30.300 0.001 0.000 1.246 228 R HN 0.464 nan 8.270 nan 0.000 0.456 229 A N 0.600 123.417 122.820 -0.004 0.000 2.204 229 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 229 A C 0.766 178.342 177.584 -0.014 0.000 1.165 229 A CA 2.041 54.073 52.037 -0.008 0.000 0.671 229 A CB -0.814 18.181 19.000 -0.009 0.000 0.792 229 A HN 0.767 nan 8.150 nan 0.000 0.473 230 D N -2.063 118.323 120.400 -0.022 0.000 2.535 230 D HA 0.142 4.781 4.640 -0.001 0.000 0.229 230 D C 0.204 176.458 176.300 -0.077 0.000 1.238 230 D CA -0.191 53.786 54.000 -0.038 0.000 0.824 230 D CB -0.023 40.757 40.800 -0.032 0.000 1.045 230 D HN 0.325 nan 8.370 nan 0.000 0.500 231 R N 0.492 120.954 120.500 -0.062 0.000 2.515 231 R HA 0.353 4.692 4.340 -0.001 0.000 0.291 231 R C -0.834 175.452 176.300 -0.023 0.000 1.046 231 R CA -0.579 55.467 56.100 -0.090 0.000 0.914 231 R CB 2.099 32.357 30.300 -0.068 0.000 1.191 231 R HN -0.009 nan 8.270 nan 0.000 0.435 232 Q N 2.752 122.547 119.800 -0.007 0.000 2.387 232 Q HA 0.326 4.665 4.340 -0.001 0.000 0.273 232 Q C -1.811 174.292 176.000 0.171 0.000 1.089 232 Q CA -1.942 53.913 55.803 0.087 0.000 0.824 232 Q CB 2.468 31.270 28.738 0.108 0.000 1.367 232 Q HN 0.322 nan 8.270 nan 0.000 0.443 233 P HA -0.072 nan 4.420 nan 0.000 0.229 233 P C -0.096 177.385 177.300 0.303 0.000 1.160 233 P CA 0.944 64.255 63.100 0.351 0.000 0.777 233 P CB 0.554 32.507 31.700 0.422 0.000 0.814 234 D N 0.279 120.756 120.400 0.129 0.000 2.473 234 D HA 0.275 4.914 4.640 -0.001 0.000 0.253 234 D C -0.919 175.349 176.300 -0.054 0.000 1.233 234 D CA -0.915 52.953 54.000 -0.219 0.000 0.908 234 D CB 0.705 41.392 40.800 -0.187 0.000 1.170 234 D HN -0.081 nan 8.370 nan 0.000 0.558 235 F N 0.069 119.845 119.950 -0.290 0.000 2.664 235 F HA 0.793 5.320 4.527 -0.001 0.000 0.329 235 F C -0.870 174.860 175.800 -0.118 0.000 1.090 235 F CA -0.941 56.978 58.000 -0.135 0.000 0.978 235 F CB 1.202 40.175 39.000 -0.046 0.000 1.378 235 F HN -0.017 nan 8.300 nan 0.000 0.495 236 T N 1.725 116.327 114.554 0.080 0.000 2.823 236 T HA 0.522 4.872 4.350 -0.001 0.000 0.279 236 T C -1.047 173.741 174.700 0.146 0.000 0.998 236 T CA -0.748 61.363 62.100 0.018 0.000 0.994 236 T CB 1.399 70.318 68.868 0.086 0.000 0.960 236 T HN 0.758 nan 8.240 nan 0.000 0.448 237 Q N 1.703 121.540 119.800 0.063 0.000 2.413 237 Q HA 0.692 5.031 4.340 -0.001 0.000 0.276 237 Q C -1.285 174.769 176.000 0.089 0.000 1.099 237 Q CA -1.315 54.584 55.803 0.162 0.000 0.814 237 Q CB 1.726 30.590 28.738 0.211 0.000 1.379 237 Q HN 0.479 nan 8.270 nan 0.000 0.436 238 L N 2.127 123.390 121.223 0.066 0.000 2.282 238 L HA 0.388 4.728 4.340 -0.001 0.000 0.287 238 L C -1.135 175.659 176.870 -0.126 0.000 1.075 238 L CA 0.281 55.036 54.840 -0.141 0.000 0.839 238 L CB 0.367 42.124 42.059 -0.502 0.000 1.219 238 L HN 0.709 nan 8.230 nan 0.000 0.434 239 D N 4.554 124.938 120.400 -0.027 0.000 2.210 239 D HA 0.549 5.188 4.640 -0.001 0.000 0.249 239 D C -1.058 175.285 176.300 0.071 0.000 1.078 239 D CA -0.071 53.986 54.000 0.095 0.000 0.875 239 D CB 1.075 42.001 40.800 0.209 0.000 1.175 239 D HN 0.703 nan 8.370 nan 0.000 0.440 240 L N 1.652 123.007 121.223 0.220 0.000 2.506 240 L HA 0.692 5.032 4.340 -0.001 0.000 0.257 240 L C -1.802 175.333 176.870 0.443 0.000 0.964 240 L CA -0.652 54.352 54.840 0.274 0.000 0.836 240 L CB 2.129 44.230 42.059 0.070 0.000 1.384 240 L HN 0.341 nan 8.230 nan 0.000 0.410 241 E N 3.154 123.692 120.200 0.564 0.000 2.356 241 E HA 0.713 5.062 4.350 -0.001 0.000 0.275 241 E C -1.700 175.075 176.600 0.291 0.000 0.904 241 E CA -0.324 56.314 56.400 0.397 0.000 0.757 241 E CB 2.377 32.261 29.700 0.307 0.000 1.232 241 E HN 0.686 nan 8.360 nan 0.000 0.442 242 M N 0.981 120.693 119.600 0.186 0.000 2.550 242 M HA 0.548 5.027 4.480 -0.001 0.000 0.292 242 M C -0.830 175.495 176.300 0.042 0.000 1.221 242 M CA -0.830 54.506 55.300 0.060 0.000 0.873 242 M CB 2.526 35.179 32.600 0.087 0.000 1.727 242 M HN 0.331 nan 8.290 nan 0.000 0.459 243 S N 0.364 116.052 115.700 -0.020 0.000 2.593 243 S HA 0.679 5.148 4.470 -0.001 0.000 0.297 243 S C -0.427 174.169 174.600 -0.007 0.000 1.112 243 S CA -0.550 57.571 58.200 -0.131 0.000 1.043 243 S CB 0.547 63.608 63.200 -0.231 0.000 1.054 243 S HN 0.735 nan 8.310 nan 0.000 0.516 244 F N -0.043 119.893 119.950 -0.024 0.000 3.074 244 F HA -0.196 4.330 4.527 -0.001 0.000 0.287 244 F C 0.385 176.166 175.800 -0.032 0.000 0.932 244 F CA 0.071 58.047 58.000 -0.041 0.000 0.995 244 F CB -1.887 37.090 39.000 -0.039 0.000 0.966 244 F HN 0.348 nan 8.300 nan 0.000 0.721 245 V N -3.518 116.439 119.914 0.072 0.000 3.113 245 V HA 0.843 4.963 4.120 -0.001 0.000 0.316 245 V C 0.011 176.111 176.094 0.010 0.000 1.125 245 V CA -1.156 61.172 62.300 0.046 0.000 1.026 245 V CB 2.454 34.301 31.823 0.039 0.000 1.080 245 V HN 0.140 nan 8.190 nan 0.000 0.444 246 E N 0.123 120.316 120.200 -0.011 0.000 2.378 246 E HA 0.480 4.829 4.350 -0.001 0.000 0.265 246 E C 0.638 177.193 176.600 -0.075 0.000 0.932 246 E CA -0.869 55.511 56.400 -0.033 0.000 0.795 246 E CB 2.432 32.113 29.700 -0.032 0.000 1.296 246 E HN 0.407 nan 8.360 nan 0.000 0.438 247 V N 1.395 121.253 119.914 -0.093 0.000 2.252 247 V HA -0.345 3.774 4.120 -0.001 0.000 0.255 247 V C 2.029 177.931 176.094 -0.321 0.000 1.071 247 V CA 2.080 64.259 62.300 -0.201 0.000 1.050 247 V CB -0.520 31.206 31.823 -0.162 0.000 0.654 247 V HN 0.647 nan 8.190 nan 0.000 0.448 248 E N -0.174 119.891 120.200 -0.225 0.000 2.130 248 E HA -0.227 4.122 4.350 -0.001 0.000 0.196 248 E C 2.012 178.491 176.600 -0.202 0.000 0.998 248 E CA 1.552 57.818 56.400 -0.224 0.000 0.806 248 E CB -0.553 29.067 29.700 -0.133 0.000 0.738 248 E HN 0.690 nan 8.360 nan 0.000 0.459 249 D N 0.202 120.521 120.400 -0.134 0.000 2.117 249 D HA -0.104 4.535 4.640 -0.001 0.000 0.197 249 D C 2.150 178.398 176.300 -0.086 0.000 0.987 249 D CA 0.796 54.751 54.000 -0.076 0.000 0.829 249 D CB -0.019 40.768 40.800 -0.021 0.000 0.961 249 D HN 0.044 nan 8.370 nan 0.000 0.460 250 V N 1.721 121.547 119.914 -0.147 0.000 2.237 250 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 250 V C 2.735 178.671 176.094 -0.264 0.000 1.046 250 V CA 1.220 63.431 62.300 -0.147 0.000 1.007 250 V CB -0.598 31.106 31.823 -0.199 0.000 0.638 250 V HN 0.162 nan 8.190 nan 0.000 0.445 251 L N -0.205 120.673 121.223 -0.576 0.000 2.042 251 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 251 L C 2.693 179.382 176.870 -0.301 0.000 1.076 251 L CA 1.869 56.243 54.840 -0.777 0.000 0.749 251 L CB -0.813 40.468 42.059 -1.296 0.000 0.893 251 L HN 0.399 nan 8.230 nan 0.000 0.432 252 E N 0.730 120.792 120.200 -0.230 0.000 2.077 252 E HA -0.237 4.112 4.350 -0.001 0.000 0.193 252 E C 2.236 178.807 176.600 -0.049 0.000 0.989 252 E CA 1.170 57.499 56.400 -0.118 0.000 0.800 252 E CB -0.061 29.589 29.700 -0.083 0.000 0.746 252 E HN 0.357 nan 8.360 nan 0.000 0.452 253 L N 1.747 122.968 121.223 -0.004 0.000 2.046 253 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 253 L C 1.862 178.762 176.870 0.049 0.000 1.077 253 L CA 1.717 56.607 54.840 0.083 0.000 0.747 253 L CB -1.160 40.988 42.059 0.148 0.000 0.896 253 L HN 0.172 nan 8.230 nan 0.000 0.432 254 N N 0.198 118.946 118.700 0.080 0.000 2.166 254 N HA -0.213 4.526 4.740 -0.001 0.000 0.186 254 N C 1.583 177.094 175.510 0.001 0.000 1.019 254 N CA 1.540 54.704 53.050 0.190 0.000 0.856 254 N CB 0.027 38.801 38.487 0.478 0.000 0.993 254 N HN 0.555 nan 8.380 nan 0.000 0.426 255 E N 0.728 120.828 120.200 -0.166 0.000 2.072 255 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 255 E C 2.073 178.446 176.600 -0.378 0.000 0.985 255 E CA 0.711 56.765 56.400 -0.577 0.000 0.801 255 E CB -0.002 29.266 29.700 -0.719 0.000 0.750 255 E HN 0.302 nan 8.360 nan 0.000 0.452 256 R N 0.417 120.786 120.500 -0.218 0.000 2.092 256 R HA -0.120 4.219 4.340 -0.001 0.000 0.231 256 R C 2.461 178.482 176.300 -0.465 0.000 1.119 256 R CA 0.781 56.791 56.100 -0.150 0.000 0.970 256 R CB -0.340 30.023 30.300 0.105 0.000 0.864 256 R HN 0.115 nan 8.270 nan 0.000 0.440 257 L N 0.539 121.330 121.223 -0.720 0.000 2.017 257 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 257 L C 2.266 178.941 176.870 -0.324 0.000 1.073 257 L CA 1.732 55.921 54.840 -1.086 0.000 0.745 257 L CB -0.410 41.266 42.059 -0.639 0.000 0.894 257 L HN 0.085 nan 8.230 nan 0.000 0.432 258 M N -0.093 119.436 119.600 -0.117 0.000 2.117 258 M HA -0.075 4.404 4.480 -0.001 0.000 0.262 258 M C 2.150 178.432 176.300 -0.029 0.000 1.065 258 M CA 2.048 57.304 55.300 -0.074 0.000 1.114 258 M CB -0.739 31.622 32.600 -0.398 0.000 1.361 258 M HN 0.334 nan 8.290 nan 0.000 0.408 259 A N -1.740 121.015 122.820 -0.108 0.000 1.969 259 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 259 A C 2.055 179.681 177.584 0.071 0.000 1.169 259 A CA 1.969 54.000 52.037 -0.010 0.000 0.635 259 A CB -1.186 17.796 19.000 -0.030 0.000 0.810 259 A HN 0.756 nan 8.150 nan 0.000 0.445 260 H N -0.383 118.643 119.070 -0.073 0.000 2.357 260 H HA -0.057 4.498 4.556 -0.001 0.000 0.301 260 H C 1.775 177.135 175.328 0.055 0.000 1.082 260 H CA 1.947 57.993 56.048 -0.002 0.000 1.342 260 H CB -0.148 29.578 29.762 -0.060 0.000 1.389 260 H HN 0.114 nan 8.280 nan 0.000 0.511 261 V N -0.025 119.927 119.914 0.063 0.000 2.343 261 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 261 V C 2.097 178.202 176.094 0.019 0.000 1.051 261 V CA 1.864 64.201 62.300 0.062 0.000 1.036 261 V CB -0.712 31.239 31.823 0.214 0.000 0.654 261 V HN 0.347 nan 8.190 nan 0.000 0.451 262 F N 0.160 120.063 119.950 -0.077 0.000 2.259 262 F HA -0.042 4.484 4.527 -0.001 0.000 0.298 262 F C 2.533 178.301 175.800 -0.052 0.000 1.088 262 F CA 1.650 59.609 58.000 -0.069 0.000 1.358 262 F CB -0.442 38.529 39.000 -0.050 0.000 1.040 262 F HN -0.017 nan 8.300 nan 0.000 0.505 263 R N 0.426 120.983 120.500 0.094 0.000 2.062 263 R HA -0.134 4.205 4.340 -0.001 0.000 0.231 263 R C 2.180 178.451 176.300 -0.048 0.000 1.136 263 R CA 1.578 57.695 56.100 0.028 0.000 0.948 263 R CB -0.174 30.132 30.300 0.010 0.000 0.845 263 R HN 0.095 nan 8.270 nan 0.000 0.430 264 E N 0.113 120.220 120.200 -0.155 0.000 2.077 264 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 264 E C 1.771 178.323 176.600 -0.081 0.000 0.989 264 E CA 1.491 57.803 56.400 -0.147 0.000 0.800 264 E CB -0.127 29.412 29.700 -0.268 0.000 0.746 264 E HN 0.487 nan 8.360 nan 0.000 0.452 265 A N 0.056 122.812 122.820 -0.105 0.000 1.984 265 A HA 0.094 4.413 4.320 -0.001 0.000 0.214 265 A C 2.082 179.602 177.584 -0.107 0.000 1.173 265 A CA 0.499 52.474 52.037 -0.104 0.000 0.673 265 A CB 0.009 18.918 19.000 -0.152 0.000 0.830 265 A HN 0.147 nan 8.150 nan 0.000 0.453 266 L N -1.966 119.183 121.223 -0.123 0.000 2.781 266 L HA 0.296 4.635 4.340 -0.001 0.000 0.245 266 L C 1.415 178.294 176.870 0.015 0.000 1.118 266 L CA 0.458 55.259 54.840 -0.065 0.000 0.918 266 L CB 0.399 42.390 42.059 -0.114 0.000 1.246 266 L HN 0.495 nan 8.230 nan 0.000 0.526 267 G N 1.494 110.306 108.800 0.020 0.000 2.221 267 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.265 267 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.265 267 G C -0.059 174.895 174.900 0.091 0.000 1.041 267 G CA 0.260 45.388 45.100 0.047 0.000 0.807 267 G HN 0.125 nan 8.290 nan 0.000 0.502 268 V N 0.425 120.426 119.914 0.144 0.000 2.483 268 V HA 0.508 4.627 4.120 -0.001 0.000 0.295 268 V C 0.014 176.233 176.094 0.208 0.000 1.035 268 V CA -0.983 61.448 62.300 0.217 0.000 0.896 268 V CB 1.912 33.968 31.823 0.388 0.000 0.986 268 V HN 0.297 nan 8.190 nan 0.000 0.447 269 E N 4.723 125.018 120.200 0.159 0.000 2.115 269 E HA 0.399 4.748 4.350 -0.001 0.000 0.282 269 E C -0.872 175.797 176.600 0.114 0.000 0.987 269 E CA -0.320 56.154 56.400 0.123 0.000 0.797 269 E CB 1.854 31.608 29.700 0.090 0.000 1.086 269 E HN 0.479 nan 8.360 nan 0.000 0.397 270 L N 5.703 126.981 121.223 0.091 0.000 2.290 270 L HA 0.268 4.607 4.340 -0.001 0.000 0.284 270 L C -1.748 175.175 176.870 0.088 0.000 1.078 270 L CA -1.782 53.096 54.840 0.062 0.000 0.815 270 L CB 0.630 42.679 42.059 -0.018 0.000 1.162 270 L HN 0.174 nan 8.230 nan 0.000 0.435 271 P HA 0.240 nan 4.420 nan 0.000 0.276 271 P C -0.982 176.400 177.300 0.136 0.000 1.235 271 P CA -0.153 63.002 63.100 0.091 0.000 0.772 271 P CB 1.200 32.944 31.700 0.072 0.000 0.871 272 L N 4.711 125.989 121.223 0.092 0.000 2.330 272 L HA 0.553 4.892 4.340 -0.001 0.000 0.271 272 L C -1.328 175.578 176.870 0.061 0.000 1.013 272 L CA -1.923 52.958 54.840 0.068 0.000 0.816 272 L CB 1.662 43.707 42.059 -0.023 0.000 1.287 272 L HN 0.385 nan 8.230 nan 0.000 0.435 273 P HA 0.357 nan 4.420 nan 0.000 0.279 273 P C -0.989 176.450 177.300 0.232 0.000 1.276 273 P CA -0.545 62.590 63.100 0.058 0.000 0.801 273 P CB 0.693 32.424 31.700 0.051 0.000 1.127 274 F N 0.564 120.554 119.950 0.067 0.000 2.459 274 F HA 0.230 4.756 4.527 -0.001 0.000 0.346 274 F C -1.317 174.538 175.800 0.092 0.000 1.128 274 F CA -2.556 55.447 58.000 0.005 0.000 1.268 274 F CB -1.167 37.715 39.000 -0.197 0.000 1.161 274 F HN 0.192 nan 8.300 nan 0.000 0.583 275 P HA 0.208 nan 4.420 nan 0.000 0.271 275 P C -0.742 176.698 177.300 0.233 0.000 1.233 275 P CA -0.249 62.951 63.100 0.167 0.000 0.789 275 P CB 0.847 32.590 31.700 0.072 0.000 0.951 276 R N 0.588 121.212 120.500 0.206 0.000 2.628 276 R HA 0.690 5.029 4.340 -0.001 0.000 0.288 276 R C -0.965 175.433 176.300 0.162 0.000 0.980 276 R CA -0.553 55.692 56.100 0.241 0.000 0.891 276 R CB 1.277 31.709 30.300 0.220 0.000 1.188 276 R HN 0.419 nan 8.270 nan 0.000 0.450 277 L N 2.218 123.540 121.223 0.165 0.000 2.464 277 L HA 0.444 4.784 4.340 -0.001 0.000 0.266 277 L C -0.074 176.860 176.870 0.108 0.000 0.965 277 L CA -0.990 53.918 54.840 0.114 0.000 0.833 277 L CB 2.203 44.319 42.059 0.095 0.000 1.296 277 L HN 0.799 nan 8.230 nan 0.000 0.405 278 S N 0.997 116.746 115.700 0.081 0.000 2.584 278 S HA -0.005 4.464 4.470 -0.001 0.000 0.270 278 S C 0.926 175.550 174.600 0.040 0.000 1.346 278 S CA -0.023 58.226 58.200 0.082 0.000 1.018 278 S CB 0.581 63.823 63.200 0.070 0.000 0.899 278 S HN 0.622 nan 8.310 nan 0.000 0.542 279 Y N 1.105 121.318 120.300 -0.145 0.000 2.333 279 Y HA -0.063 4.486 4.550 -0.001 0.000 0.290 279 Y C 2.192 178.002 175.900 -0.151 0.000 1.144 279 Y CA 2.061 59.986 58.100 -0.292 0.000 1.228 279 Y CB -0.228 37.956 38.460 -0.459 0.000 0.985 279 Y HN 0.909 nan 8.280 nan 0.000 0.542 280 E N 0.092 120.268 120.200 -0.040 0.000 2.028 280 E HA -0.204 4.145 4.350 -0.001 0.000 0.190 280 E C 2.059 178.574 176.600 -0.142 0.000 0.984 280 E CA 1.367 57.704 56.400 -0.105 0.000 0.800 280 E CB -0.070 29.634 29.700 0.005 0.000 0.758 280 E HN 0.771 nan 8.360 nan 0.000 0.448 281 E N 0.483 120.636 120.200 -0.077 0.000 2.268 281 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 281 E C 1.906 178.468 176.600 -0.064 0.000 0.995 281 E CA 0.849 57.207 56.400 -0.069 0.000 0.836 281 E CB -0.074 29.610 29.700 -0.026 0.000 0.763 281 E HN 0.139 nan 8.360 nan 0.000 0.491 282 A N 1.488 124.271 122.820 -0.063 0.000 1.929 282 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 282 A C 2.206 179.748 177.584 -0.071 0.000 1.176 282 A CA 0.933 52.979 52.037 0.014 0.000 0.628 282 A CB -0.171 18.796 19.000 -0.055 0.000 0.816 282 A HN 0.109 nan 8.150 nan 0.000 0.444 283 M N -0.550 118.892 119.600 -0.263 0.000 2.349 283 M HA 0.009 4.488 4.480 -0.001 0.000 0.266 283 M C 1.733 177.917 176.300 -0.193 0.000 1.076 283 M CA 0.978 56.101 55.300 -0.296 0.000 1.126 283 M CB -0.932 31.363 32.600 -0.507 0.000 1.392 283 M HN 0.342 nan 8.290 nan 0.000 0.440 284 E N 0.620 120.714 120.200 -0.177 0.000 2.021 284 E HA -0.025 4.324 4.350 -0.001 0.000 0.189 284 E C 1.979 178.449 176.600 -0.217 0.000 0.980 284 E CA 1.022 57.324 56.400 -0.164 0.000 0.803 284 E CB -0.145 29.473 29.700 -0.137 0.000 0.766 284 E HN 0.433 nan 8.360 nan 0.000 0.449 285 R N -0.732 119.590 120.500 -0.295 0.000 2.316 285 R HA -0.037 4.302 4.340 -0.001 0.000 0.202 285 R C 0.642 176.385 176.300 -0.929 0.000 1.029 285 R CA 0.708 56.449 56.100 -0.598 0.000 1.018 285 R CB 0.097 29.977 30.300 -0.701 0.000 0.888 285 R HN 0.261 nan 8.270 nan 0.000 0.471 286 Y N -2.502 117.707 120.300 -0.152 0.000 2.861 286 Y HA 0.250 4.799 4.550 -0.001 0.000 0.284 286 Y C 1.106 176.915 175.900 -0.153 0.000 1.006 286 Y CA -0.164 57.838 58.100 -0.162 0.000 1.245 286 Y CB 0.830 39.182 38.460 -0.181 0.000 1.415 286 Y HN 0.053 nan 8.280 nan 0.000 0.586 287 G N 1.576 110.346 108.800 -0.050 0.000 2.283 287 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.280 287 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.280 287 G C 0.024 174.876 174.900 -0.080 0.000 1.029 287 G CA 1.006 46.054 45.100 -0.087 0.000 0.840 287 G HN 0.565 nan 8.290 nan 0.000 0.505 288 S N -1.261 114.399 115.700 -0.067 0.000 2.565 288 S HA 0.489 4.958 4.470 -0.001 0.000 0.274 288 S C 0.102 174.660 174.600 -0.072 0.000 1.144 288 S CA 0.444 58.611 58.200 -0.055 0.000 0.849 288 S CB 1.033 64.212 63.200 -0.034 0.000 1.103 288 S HN 0.507 nan 8.310 nan 0.000 0.455 289 D N 1.685 122.072 120.400 -0.021 0.000 2.328 289 D HA 0.149 4.788 4.640 -0.001 0.000 0.221 289 D C 0.223 176.570 176.300 0.079 0.000 1.072 289 D CA -0.010 53.997 54.000 0.011 0.000 0.850 289 D CB -0.214 40.692 40.800 0.176 0.000 0.922 289 D HN 0.596 nan 8.370 nan 0.000 0.516 290 K N -0.122 120.293 120.400 0.025 0.000 3.029 290 K HA 0.418 4.737 4.320 -0.001 0.000 0.169 290 K C -3.055 173.484 176.600 -0.102 0.000 1.090 290 K CA -1.701 54.585 56.287 -0.001 0.000 0.883 290 K CB 1.238 33.758 32.500 0.033 0.000 1.080 290 K HN -0.174 nan 8.250 nan 0.000 0.613 291 P HA -0.066 nan 4.420 nan 0.000 0.266 291 P C -0.756 176.300 177.300 -0.406 0.000 1.195 291 P CA 0.049 62.894 63.100 -0.425 0.000 0.768 291 P CB 0.527 31.809 31.700 -0.696 0.000 0.838 292 D N 3.210 123.356 120.400 -0.424 0.000 2.428 292 D HA 0.112 4.751 4.640 -0.001 0.000 0.221 292 D C 0.386 176.420 176.300 -0.444 0.000 1.123 292 D CA -0.150 53.680 54.000 -0.283 0.000 0.869 292 D CB 0.263 41.036 40.800 -0.045 0.000 1.032 292 D HN 0.276 nan 8.370 nan 0.000 0.506 293 L N 3.513 124.517 121.223 -0.366 0.000 2.672 293 L HA 0.214 4.553 4.340 -0.001 0.000 0.236 293 L C 1.699 178.488 176.870 -0.136 0.000 1.186 293 L CA -0.041 54.607 54.840 -0.321 0.000 0.977 293 L CB -0.009 41.887 42.059 -0.273 0.000 1.203 293 L HN 0.046 nan 8.230 nan 0.000 0.448 294 R N 0.739 121.238 120.500 -0.002 0.000 2.313 294 R HA 0.103 4.442 4.340 -0.001 0.000 0.199 294 R C -0.559 175.910 176.300 0.281 0.000 0.958 294 R CA 0.406 56.569 56.100 0.105 0.000 1.047 294 R CB 0.123 30.482 30.300 0.099 0.000 0.955 294 R HN 0.293 nan 8.270 nan 0.000 0.481 295 F N -5.123 114.789 119.950 -0.064 0.000 2.688 295 F HA 0.564 5.091 4.527 -0.001 0.000 0.308 295 F C 0.443 176.258 175.800 0.025 0.000 1.117 295 F CA -1.624 56.360 58.000 -0.026 0.000 0.976 295 F CB 0.230 39.212 39.000 -0.031 0.000 1.291 295 F HN -0.115 nan 8.300 nan 0.000 0.439 296 G N 1.806 110.673 108.800 0.113 0.000 2.792 296 G HA2 0.241 4.200 3.960 -0.001 0.000 0.147 296 G HA3 0.241 4.200 3.960 -0.001 0.000 0.147 296 G C 0.459 175.358 174.900 -0.002 0.000 1.838 296 G CA 0.334 45.454 45.100 0.034 0.000 0.980 296 G HN 1.295 nan 8.290 nan 0.000 0.436 297 L N -0.483 120.765 121.223 0.043 0.000 4.089 297 L HA -0.140 4.199 4.340 -0.001 0.000 0.408 297 L C 0.205 177.033 176.870 -0.070 0.000 1.184 297 L CA -0.026 54.832 54.840 0.030 0.000 0.947 297 L CB -2.257 39.893 42.059 0.152 0.000 2.066 297 L HN 0.532 nan 8.230 nan 0.000 0.851 298 E N 1.113 121.234 120.200 -0.132 0.000 2.481 298 E HA 0.167 4.516 4.350 -0.001 0.000 0.263 298 E C 0.404 176.849 176.600 -0.259 0.000 0.992 298 E CA -0.130 56.083 56.400 -0.311 0.000 0.938 298 E CB 0.682 30.187 29.700 -0.325 0.000 0.933 298 E HN 0.266 nan 8.360 nan 0.000 0.453 299 L N 2.818 123.842 121.223 -0.333 0.000 2.397 299 L HA 0.242 4.582 4.340 -0.001 0.000 0.271 299 L C 0.388 177.139 176.870 -0.199 0.000 1.148 299 L CA -0.109 54.593 54.840 -0.229 0.000 0.825 299 L CB 0.215 42.142 42.059 -0.221 0.000 1.117 299 L HN 0.311 nan 8.230 nan 0.000 0.456 300 K N 1.970 122.284 120.400 -0.143 0.000 2.427 300 K HA 0.349 4.669 4.320 -0.001 0.000 0.252 300 K C -0.863 175.687 176.600 -0.083 0.000 0.931 300 K CA -0.923 55.303 56.287 -0.102 0.000 0.793 300 K CB 2.528 34.990 32.500 -0.064 0.000 1.211 300 K HN 0.339 nan 8.250 nan 0.000 0.426 301 E N 1.719 121.878 120.200 -0.067 0.000 2.194 301 E HA 0.166 4.516 4.350 -0.001 0.000 0.284 301 E C 0.069 176.659 176.600 -0.016 0.000 1.035 301 E CA -0.340 56.024 56.400 -0.059 0.000 0.836 301 E CB 0.663 30.331 29.700 -0.054 0.000 1.070 301 E HN 0.371 nan 8.360 nan 0.000 0.401 302 V N 2.219 122.124 119.914 -0.015 0.000 3.166 302 V HA 0.443 4.562 4.120 -0.001 0.000 0.332 302 V C 1.274 177.424 176.094 0.092 0.000 1.434 302 V CA 0.239 62.588 62.300 0.082 0.000 1.121 302 V CB 0.474 32.406 31.823 0.182 0.000 1.062 302 V HN 0.563 nan 8.190 nan 0.000 0.489 303 G N 2.441 111.234 108.800 -0.011 0.000 2.440 303 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.218 303 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.218 303 G C 0.260 175.217 174.900 0.096 0.000 1.154 303 G CA 1.531 46.626 45.100 -0.007 0.000 0.767 303 G HN 0.616 nan 8.290 nan 0.000 0.552 304 P HA -0.124 nan 4.420 nan 0.000 0.215 304 P C 2.084 179.449 177.300 0.108 0.000 1.157 304 P CA 0.899 64.041 63.100 0.070 0.000 0.868 304 P CB -0.288 31.439 31.700 0.045 0.000 0.788 305 L N -2.271 119.051 121.223 0.166 0.000 2.263 305 L HA -0.126 4.213 4.340 -0.001 0.000 0.216 305 L C 1.153 178.034 176.870 0.018 0.000 1.111 305 L CA 1.343 56.255 54.840 0.119 0.000 0.773 305 L CB -0.776 41.400 42.059 0.195 0.000 0.906 305 L HN -0.080 nan 8.230 nan 0.000 0.439 306 F N -1.372 118.581 119.950 0.004 0.000 2.831 306 F HA 0.259 4.785 4.527 -0.001 0.000 0.355 306 F C 1.588 177.379 175.800 -0.015 0.000 1.341 306 F CA -0.437 57.569 58.000 0.010 0.000 1.201 306 F CB -0.143 38.904 39.000 0.078 0.000 1.058 306 F HN -0.199 nan 8.300 nan 0.000 0.514 307 R N 0.007 120.566 120.500 0.099 0.000 2.240 307 R HA 0.120 4.459 4.340 -0.001 0.000 0.203 307 R C 0.302 176.603 176.300 0.002 0.000 1.011 307 R CA 0.973 57.098 56.100 0.043 0.000 1.007 307 R CB 0.346 30.658 30.300 0.021 0.000 0.911 307 R HN 0.136 nan 8.270 nan 0.000 0.468 308 Q N -0.105 119.683 119.800 -0.020 0.000 2.903 308 Q HA 0.225 4.564 4.340 -0.001 0.000 0.342 308 Q C -1.449 174.497 176.000 -0.089 0.000 0.808 308 Q CA -0.052 55.719 55.803 -0.054 0.000 1.004 308 Q CB 1.643 30.349 28.738 -0.052 0.000 1.470 308 Q HN -0.020 nan 8.270 nan 0.000 0.387 309 S N -1.385 114.259 115.700 -0.094 0.000 2.537 309 S HA 0.608 5.078 4.470 -0.001 0.000 0.301 309 S C 1.363 175.779 174.600 -0.307 0.000 1.092 309 S CA 0.157 58.251 58.200 -0.177 0.000 1.048 309 S CB 1.369 64.493 63.200 -0.128 0.000 1.053 309 S HN 0.551 nan 8.310 nan 0.000 0.501 310 G N 2.968 111.493 108.800 -0.457 0.000 2.624 310 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.221 310 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.221 310 G C 0.309 174.769 174.900 -0.734 0.000 1.169 310 G CA 0.999 45.729 45.100 -0.617 0.000 0.771 310 G HN 0.557 nan 8.290 nan 0.000 0.598 311 F N 0.681 119.846 119.950 -1.307 0.000 2.404 311 F HA 0.486 5.013 4.527 -0.001 0.000 0.345 311 F C 1.556 177.174 175.800 -0.303 0.000 1.110 311 F CA -1.486 56.109 58.000 -0.674 0.000 1.130 311 F CB 1.346 40.056 39.000 -0.483 0.000 1.129 311 F HN 0.022 nan 8.300 nan 0.000 0.500 312 R N 2.829 122.621 120.500 -1.181 0.000 2.139 312 R HA -0.138 4.201 4.340 -0.001 0.000 0.243 312 R C 1.309 177.387 176.300 -0.370 0.000 1.145 312 R CA 2.087 57.748 56.100 -0.732 0.000 0.976 312 R CB -0.293 29.527 30.300 -0.800 0.000 0.866 312 R HN 0.609 nan 8.270 nan 0.000 0.449 313 V N 0.300 120.058 119.914 -0.261 0.000 2.343 313 V HA -0.198 3.922 4.120 -0.001 0.000 0.247 313 V C 1.797 178.062 176.094 0.284 0.000 1.051 313 V CA 1.519 63.878 62.300 0.099 0.000 1.036 313 V CB -0.556 31.439 31.823 0.287 0.000 0.654 313 V HN 0.230 nan 8.190 nan 0.000 0.451 314 F N -0.019 119.881 119.950 -0.084 0.000 2.797 314 F HA 0.148 4.674 4.527 -0.001 0.000 0.302 314 F C 2.131 177.904 175.800 -0.045 0.000 1.130 314 F CA 0.493 58.420 58.000 -0.122 0.000 1.387 314 F CB -0.503 38.369 39.000 -0.212 0.000 1.107 314 F HN 0.248 nan 8.300 nan 0.000 0.577 315 Q N 0.627 120.485 119.800 0.096 0.000 2.287 315 Q HA -0.066 4.273 4.340 -0.001 0.000 0.201 315 Q C 2.021 178.008 176.000 -0.021 0.000 0.946 315 Q CA 1.321 57.131 55.803 0.011 0.000 0.868 315 Q CB -0.014 28.668 28.738 -0.093 0.000 0.967 315 Q HN 0.150 nan 8.270 nan 0.000 0.516 316 E N 0.368 120.540 120.200 -0.046 0.000 2.230 316 E HA 0.196 4.545 4.350 -0.001 0.000 0.192 316 E C -0.214 176.368 176.600 -0.029 0.000 0.987 316 E CA 0.648 57.019 56.400 -0.048 0.000 0.841 316 E CB -0.233 29.426 29.700 -0.070 0.000 0.783 316 E HN 0.395 nan 8.360 nan 0.000 0.481 317 A N 1.179 123.989 122.820 -0.017 0.000 2.511 317 A HA 0.037 4.356 4.320 -0.001 0.000 0.242 317 A C 0.789 178.349 177.584 -0.040 0.000 1.069 317 A CA 0.228 52.249 52.037 -0.027 0.000 0.763 317 A CB 0.138 19.116 19.000 -0.036 0.000 1.001 317 A HN 0.358 nan 8.150 nan 0.000 0.498 318 E N 1.124 121.301 120.200 -0.039 0.000 2.021 318 E HA -0.136 4.214 4.350 -0.001 0.000 0.200 318 E C 0.857 177.425 176.600 -0.052 0.000 1.015 318 E CA 1.795 58.172 56.400 -0.038 0.000 0.824 318 E CB -0.072 29.607 29.700 -0.034 0.000 0.762 318 E HN 0.797 nan 8.360 nan 0.000 0.454 319 S N -0.299 115.358 115.700 -0.072 0.000 2.536 319 S HA 0.484 4.953 4.470 -0.001 0.000 0.287 319 S C -0.612 173.889 174.600 -0.165 0.000 1.101 319 S CA -0.985 57.155 58.200 -0.100 0.000 0.950 319 S CB 2.114 65.265 63.200 -0.082 0.000 1.056 319 S HN 0.124 nan 8.310 nan 0.000 0.481 320 V N 0.471 120.245 119.914 -0.233 0.000 2.407 320 V HA 0.680 4.799 4.120 -0.001 0.000 0.291 320 V C -0.724 175.198 176.094 -0.288 0.000 1.018 320 V CA -0.718 61.341 62.300 -0.401 0.000 0.842 320 V CB 0.735 32.082 31.823 -0.793 0.000 0.996 320 V HN 0.924 nan 8.190 nan 0.000 0.426 321 K N 3.605 123.872 120.400 -0.222 0.000 2.182 321 K HA 0.906 5.225 4.320 -0.001 0.000 0.262 321 K C -0.328 176.186 176.600 -0.143 0.000 0.957 321 K CA -0.303 55.891 56.287 -0.155 0.000 0.842 321 K CB 2.216 34.637 32.500 -0.130 0.000 1.099 321 K HN 1.074 nan 8.250 nan 0.000 0.438 322 A N 3.107 125.839 122.820 -0.147 0.000 2.475 322 A HA 0.749 5.069 4.320 -0.001 0.000 0.301 322 A C -1.258 176.187 177.584 -0.232 0.000 1.059 322 A CA -0.871 51.005 52.037 -0.268 0.000 0.710 322 A CB 0.950 19.758 19.000 -0.320 0.000 1.288 322 A HN 0.755 nan 8.150 nan 0.000 0.408 323 L N -0.863 120.199 121.223 -0.270 0.000 2.359 323 L HA 1.049 5.388 4.340 -0.001 0.000 0.256 323 L C -0.415 176.366 176.870 -0.148 0.000 1.026 323 L CA -1.037 53.705 54.840 -0.163 0.000 0.828 323 L CB 2.221 44.215 42.059 -0.109 0.000 1.406 323 L HN 0.978 nan 8.230 nan 0.000 0.413 324 A N 2.467 125.246 122.820 -0.067 0.000 2.291 324 A HA 0.707 5.026 4.320 -0.001 0.000 0.311 324 A C -0.579 177.010 177.584 0.009 0.000 1.224 324 A CA -0.585 51.438 52.037 -0.024 0.000 0.821 324 A CB 0.702 19.706 19.000 0.006 0.000 1.172 324 A HN 0.695 nan 8.150 nan 0.000 0.494 325 L N 4.424 125.656 121.223 0.015 0.000 2.371 325 L HA 0.344 4.684 4.340 -0.001 0.000 0.272 325 L C -1.224 175.658 176.870 0.020 0.000 1.124 325 L CA -1.580 53.272 54.840 0.020 0.000 0.816 325 L CB 1.390 43.454 42.059 0.008 0.000 1.129 325 L HN 0.578 nan 8.230 nan 0.000 0.448 326 P HA 0.048 nan 4.420 nan 0.000 0.245 326 P C -0.179 177.120 177.300 -0.002 0.000 1.206 326 P CA 0.708 63.813 63.100 0.009 0.000 0.781 326 P CB 0.638 32.343 31.700 0.008 0.000 0.994 327 K N -0.672 119.722 120.400 -0.011 0.000 2.433 327 K HA 0.686 5.005 4.320 -0.001 0.000 0.252 327 K C -0.582 176.000 176.600 -0.030 0.000 1.015 327 K CA -1.014 55.259 56.287 -0.023 0.000 0.860 327 K CB 2.261 34.739 32.500 -0.037 0.000 1.359 327 K HN -0.213 nan 8.250 nan 0.000 0.452 328 A N 1.326 124.121 122.820 -0.042 0.000 2.322 328 A HA 0.545 4.864 4.320 -0.001 0.000 0.269 328 A C -0.606 176.911 177.584 -0.112 0.000 1.094 328 A CA -0.483 51.512 52.037 -0.070 0.000 0.807 328 A CB 0.103 19.066 19.000 -0.061 0.000 1.047 328 A HN 0.554 nan 8.150 nan 0.000 0.487 329 L N 1.840 122.953 121.223 -0.184 0.000 2.307 329 L HA 0.392 4.731 4.340 -0.001 0.000 0.284 329 L C 0.971 177.694 176.870 -0.244 0.000 1.023 329 L CA -0.531 54.182 54.840 -0.211 0.000 0.810 329 L CB 1.817 43.718 42.059 -0.262 0.000 1.231 329 L HN 0.920 nan 8.230 nan 0.000 0.423 330 S N 1.716 117.314 115.700 -0.171 0.000 2.596 330 S HA 0.137 4.606 4.470 -0.001 0.000 0.260 330 S C 0.829 175.323 174.600 -0.177 0.000 1.336 330 S CA -0.395 57.717 58.200 -0.146 0.000 0.993 330 S CB 0.985 64.128 63.200 -0.096 0.000 0.923 330 S HN 0.619 nan 8.310 nan 0.000 0.567 331 R N 0.199 120.620 120.500 -0.132 0.000 2.313 331 R HA 0.259 4.599 4.340 -0.001 0.000 0.199 331 R C 1.745 178.004 176.300 -0.069 0.000 0.958 331 R CA 0.948 56.980 56.100 -0.113 0.000 1.047 331 R CB -0.584 29.684 30.300 -0.053 0.000 0.955 331 R HN 0.817 nan 8.270 nan 0.000 0.481 332 K N -0.464 119.898 120.400 -0.065 0.000 2.242 332 K HA 0.053 4.372 4.320 -0.001 0.000 0.200 332 K C 1.110 177.680 176.600 -0.049 0.000 1.050 332 K CA 0.565 56.827 56.287 -0.043 0.000 0.981 332 K CB 0.347 32.825 32.500 -0.037 0.000 0.795 332 K HN 0.156 nan 8.250 nan 0.000 0.477 333 E N 0.197 120.352 120.200 -0.074 0.000 2.028 333 E HA -0.140 4.209 4.350 -0.001 0.000 0.190 333 E C 1.885 178.435 176.600 -0.083 0.000 0.984 333 E CA 1.243 57.597 56.400 -0.078 0.000 0.800 333 E CB 0.087 29.727 29.700 -0.099 0.000 0.758 333 E HN 0.016 nan 8.360 nan 0.000 0.448 334 V N 1.721 121.553 119.914 -0.137 0.000 2.380 334 V HA -0.309 3.811 4.120 -0.001 0.000 0.251 334 V C 2.366 178.442 176.094 -0.030 0.000 1.063 334 V CA 1.925 64.137 62.300 -0.147 0.000 1.055 334 V CB -0.809 30.827 31.823 -0.311 0.000 0.657 334 V HN 0.314 nan 8.190 nan 0.000 0.455 335 A N -0.406 122.403 122.820 -0.019 0.000 1.933 335 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 335 A C 2.282 179.876 177.584 0.017 0.000 1.175 335 A CA 1.948 53.995 52.037 0.016 0.000 0.628 335 A CB -0.411 18.594 19.000 0.008 0.000 0.814 335 A HN 0.668 nan 8.150 nan 0.000 0.444 336 E N 0.069 120.269 120.200 0.000 0.000 2.006 336 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 336 E C 1.925 178.537 176.600 0.021 0.000 0.993 336 E CA 1.083 57.486 56.400 0.004 0.000 0.808 336 E CB -0.301 29.393 29.700 -0.010 0.000 0.764 336 E HN 0.543 nan 8.360 nan 0.000 0.449 337 L N 0.779 122.012 121.223 0.017 0.000 2.089 337 L HA -0.250 4.089 4.340 -0.001 0.000 0.213 337 L C 2.525 179.435 176.870 0.068 0.000 1.079 337 L CA 1.640 56.505 54.840 0.040 0.000 0.758 337 L CB -0.564 41.513 42.059 0.030 0.000 0.891 337 L HN 0.307 nan 8.230 nan 0.000 0.433 338 E N -0.242 120.000 120.200 0.070 0.000 2.077 338 E HA -0.271 4.078 4.350 -0.001 0.000 0.193 338 E C 2.094 178.738 176.600 0.073 0.000 0.989 338 E CA 1.224 57.679 56.400 0.091 0.000 0.800 338 E CB -0.039 29.719 29.700 0.097 0.000 0.746 338 E HN 0.477 nan 8.360 nan 0.000 0.452 339 E N 0.652 120.883 120.200 0.052 0.000 2.110 339 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 339 E C 2.108 178.729 176.600 0.035 0.000 0.988 339 E CA 0.842 57.263 56.400 0.035 0.000 0.804 339 E CB 0.194 29.906 29.700 0.020 0.000 0.745 339 E HN 0.035 nan 8.360 nan 0.000 0.458 340 V N 1.282 121.229 119.914 0.054 0.000 2.261 340 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 340 V C 2.479 178.663 176.094 0.149 0.000 1.047 340 V CA 1.938 64.289 62.300 0.086 0.000 1.015 340 V CB -0.776 31.116 31.823 0.114 0.000 0.642 340 V HN 0.471 nan 8.190 nan 0.000 0.446 341 A N -0.665 122.242 122.820 0.145 0.000 2.024 341 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 341 A C 2.184 179.846 177.584 0.129 0.000 1.164 341 A CA 2.055 54.187 52.037 0.158 0.000 0.643 341 A CB -0.411 18.665 19.000 0.125 0.000 0.806 341 A HN 0.578 nan 8.150 nan 0.000 0.451 342 K N -0.962 119.486 120.400 0.080 0.000 2.400 342 K HA 0.073 4.392 4.320 -0.001 0.000 0.194 342 K C 1.628 178.232 176.600 0.006 0.000 1.033 342 K CA 0.162 56.480 56.287 0.051 0.000 1.021 342 K CB 0.189 32.715 32.500 0.044 0.000 0.808 342 K HN 0.254 nan 8.250 nan 0.000 0.505 343 R N 0.041 120.510 120.500 -0.052 0.000 2.275 343 R HA 0.039 4.378 4.340 -0.001 0.000 0.199 343 R C 0.480 176.616 176.300 -0.272 0.000 0.989 343 R CA 0.717 56.714 56.100 -0.172 0.000 1.016 343 R CB 0.016 30.159 30.300 -0.263 0.000 0.918 343 R HN 0.290 nan 8.270 nan 0.000 0.473 344 H N 0.907 119.994 119.070 0.028 0.000 2.488 344 H HA 0.283 4.838 4.556 -0.001 0.000 0.294 344 H C 0.162 175.506 175.328 0.026 0.000 1.088 344 H CA -0.240 55.824 56.048 0.027 0.000 1.086 344 H CB 0.409 30.187 29.762 0.027 0.000 1.569 344 H HN 0.058 nan 8.280 nan 0.000 0.548 345 K N -1.017 119.439 120.400 0.093 0.000 3.547 345 K HA -0.155 4.164 4.320 -0.001 0.000 0.309 345 K C 0.376 177.017 176.600 0.068 0.000 1.324 345 K CA 0.699 57.027 56.287 0.069 0.000 0.988 345 K CB -1.140 31.400 32.500 0.067 0.000 1.261 345 K HN 0.315 nan 8.250 nan 0.000 0.444 346 A N 1.095 123.965 122.820 0.084 0.000 2.310 346 A HA 0.326 4.646 4.320 -0.001 0.000 0.299 346 A C 1.305 178.934 177.584 0.075 0.000 1.147 346 A CA -0.511 51.570 52.037 0.074 0.000 0.818 346 A CB 0.756 19.805 19.000 0.081 0.000 1.096 346 A HN 0.120 nan 8.150 nan 0.000 0.495 347 Q N 0.694 120.540 119.800 0.075 0.000 2.077 347 Q HA -0.036 4.303 4.340 -0.001 0.000 0.206 347 Q C 0.991 177.048 176.000 0.094 0.000 0.989 347 Q CA 1.919 57.771 55.803 0.081 0.000 0.853 347 Q CB -0.304 28.489 28.738 0.092 0.000 0.907 347 Q HN 1.054 nan 8.270 nan 0.000 0.418 348 G N -1.463 107.407 108.800 0.117 0.000 2.489 348 G HA2 0.474 4.433 3.960 -0.001 0.000 0.305 348 G HA3 0.474 4.433 3.960 -0.001 0.000 0.305 348 G C -1.971 173.027 174.900 0.164 0.000 1.311 348 G CA -0.724 44.454 45.100 0.129 0.000 0.813 348 G HN 0.108 nan 8.290 nan 0.000 0.480 349 L N -0.153 121.182 121.223 0.186 0.000 2.341 349 L HA 0.880 5.219 4.340 -0.001 0.000 0.267 349 L C -0.087 176.965 176.870 0.304 0.000 1.009 349 L CA -0.963 54.020 54.840 0.238 0.000 0.819 349 L CB 1.943 44.129 42.059 0.212 0.000 1.323 349 L HN 1.054 nan 8.230 nan 0.000 0.425 350 A N 2.971 126.038 122.820 0.413 0.000 2.479 350 A HA 0.904 5.223 4.320 -0.001 0.000 0.296 350 A C -1.775 176.191 177.584 0.637 0.000 1.121 350 A CA -0.496 51.785 52.037 0.407 0.000 0.743 350 A CB 1.753 20.992 19.000 0.398 0.000 1.323 350 A HN 0.830 nan 8.150 nan 0.000 0.415 351 W N -1.420 120.115 121.300 0.392 0.000 2.989 351 W HA 0.763 5.422 4.660 -0.001 0.000 0.344 351 W C -1.044 175.676 176.519 0.336 0.000 1.233 351 W CA -0.490 57.099 57.345 0.407 0.000 1.187 351 W CB 0.933 30.514 29.460 0.203 0.000 1.443 351 W HN 1.721 nan 8.180 nan 0.000 0.573 352 A N 1.546 124.703 122.820 0.562 0.000 2.599 352 A HA 0.710 5.029 4.320 -0.001 0.000 0.294 352 A C -1.511 176.432 177.584 0.599 0.000 1.055 352 A CA -1.119 51.121 52.037 0.338 0.000 0.683 352 A CB 1.753 20.883 19.000 0.218 0.000 1.278 352 A HN 0.604 nan 8.150 nan 0.000 0.412 353 R N 0.208 121.011 120.500 0.505 0.000 2.410 353 R HA 0.528 4.868 4.340 -0.001 0.000 0.288 353 R C -0.958 175.506 176.300 0.274 0.000 1.051 353 R CA -0.486 55.837 56.100 0.371 0.000 1.021 353 R CB 1.514 31.978 30.300 0.274 0.000 1.032 353 R HN 0.415 nan 8.270 nan 0.000 0.481 354 V N 4.448 124.429 119.914 0.112 0.000 2.304 354 V HA 0.097 4.216 4.120 -0.001 0.000 0.269 354 V C 0.415 176.401 176.094 -0.181 0.000 1.036 354 V CA -0.350 61.842 62.300 -0.179 0.000 0.840 354 V CB 0.787 32.559 31.823 -0.084 0.000 1.036 354 V HN 0.658 nan 8.190 nan 0.000 0.466 355 E N 2.727 122.777 120.200 -0.250 0.000 2.620 355 E HA 0.188 4.537 4.350 -0.001 0.000 0.255 355 E C 0.834 177.341 176.600 -0.154 0.000 1.346 355 E CA -0.346 55.968 56.400 -0.145 0.000 1.013 355 E CB 0.658 30.296 29.700 -0.103 0.000 1.131 355 E HN 0.465 nan 8.360 nan 0.000 0.608 356 E N -0.269 119.875 120.200 -0.093 0.000 2.416 356 E HA 0.072 4.421 4.350 -0.001 0.000 0.189 356 E C 0.280 176.837 176.600 -0.072 0.000 1.091 356 E CA 0.073 56.429 56.400 -0.073 0.000 0.889 356 E CB 0.027 29.701 29.700 -0.044 0.000 1.015 356 E HN 0.634 nan 8.360 nan 0.000 0.479 357 G N -0.893 107.847 108.800 -0.100 0.000 4.665 357 G HA2 0.120 4.080 3.960 -0.001 0.000 0.219 357 G HA3 0.120 4.080 3.960 -0.001 0.000 0.219 357 G C 0.325 175.176 174.900 -0.083 0.000 0.664 357 G CA -0.078 44.978 45.100 -0.073 0.000 0.907 357 G HN 0.399 nan 8.290 nan 0.000 0.689 358 G N -0.597 108.102 108.800 -0.167 0.000 2.604 358 G HA2 0.638 4.597 3.960 -0.001 0.000 0.242 358 G HA3 0.638 4.597 3.960 -0.001 0.000 0.242 358 G C -1.759 172.901 174.900 -0.400 0.000 1.208 358 G CA -0.655 44.362 45.100 -0.138 0.000 0.912 358 G HN 0.302 nan 8.290 nan 0.000 0.502 359 F N -1.065 118.901 119.950 0.026 0.000 2.650 359 F HA 0.685 5.211 4.527 -0.001 0.000 0.320 359 F C 0.912 176.720 175.800 0.012 0.000 1.091 359 F CA -0.341 57.680 58.000 0.036 0.000 0.962 359 F CB 2.505 41.526 39.000 0.036 0.000 1.363 359 F HN 0.418 nan 8.300 nan 0.000 0.482 360 S N -0.658 115.176 115.700 0.224 0.000 3.597 360 S HA 0.398 4.868 4.470 -0.001 0.000 0.206 360 S C 0.417 175.036 174.600 0.033 0.000 0.948 360 S CA 0.219 58.487 58.200 0.113 0.000 0.863 360 S CB 0.410 63.688 63.200 0.129 0.000 1.015 360 S HN 0.788 nan 8.310 nan 0.000 0.616 361 G N -0.356 108.461 108.800 0.028 0.000 2.705 361 G HA2 0.546 4.505 3.960 -0.001 0.000 0.299 361 G HA3 0.546 4.505 3.960 -0.001 0.000 0.299 361 G C 0.698 175.163 174.900 -0.725 0.000 1.315 361 G CA -0.045 44.931 45.100 -0.207 0.000 1.045 361 G HN 0.883 nan 8.290 nan 0.000 0.517 362 G N -1.277 106.921 108.800 -1.004 0.000 2.602 362 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.310 362 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.310 362 G C 1.008 175.501 174.900 -0.678 0.000 1.183 362 G CA 1.157 45.579 45.100 -1.130 0.000 0.979 362 G HN 1.792 nan 8.290 nan 0.000 0.545 363 V N 2.175 121.721 119.914 -0.614 0.000 3.110 363 V HA 0.601 4.720 4.120 -0.001 0.000 0.368 363 V C 2.260 178.083 176.094 -0.451 0.000 1.332 363 V CA 1.162 63.144 62.300 -0.530 0.000 1.287 363 V CB -0.276 31.257 31.823 -0.483 0.000 1.277 363 V HN 1.588 nan 8.190 nan 0.000 0.502 364 A N 0.360 122.959 122.820 -0.368 0.000 1.978 364 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 364 A C 2.187 179.621 177.584 -0.250 0.000 1.170 364 A CA 2.117 54.019 52.037 -0.225 0.000 0.636 364 A CB -0.348 18.644 19.000 -0.013 0.000 0.810 364 A HN 0.643 nan 8.150 nan 0.000 0.448 365 K N -0.777 119.395 120.400 -0.379 0.000 2.032 365 K HA -0.139 4.180 4.320 -0.001 0.000 0.209 365 K C 1.451 177.894 176.600 -0.262 0.000 1.048 365 K CA 1.837 57.894 56.287 -0.384 0.000 0.927 365 K CB -0.352 31.763 32.500 -0.643 0.000 0.712 365 K HN 0.546 nan 8.250 nan 0.000 0.441 366 F N 0.746 120.584 119.950 -0.186 0.000 2.748 366 F HA 0.008 4.534 4.527 -0.001 0.000 0.299 366 F C 1.683 177.326 175.800 -0.262 0.000 1.154 366 F CA -0.210 57.679 58.000 -0.185 0.000 1.446 366 F CB 0.195 39.111 39.000 -0.140 0.000 1.112 366 F HN -0.017 nan 8.300 nan 0.000 0.584 367 L N -0.786 120.327 121.223 -0.183 0.000 2.298 367 L HA -0.012 4.327 4.340 -0.001 0.000 0.209 367 L C 2.278 178.984 176.870 -0.272 0.000 1.084 367 L CA 0.377 54.989 54.840 -0.379 0.000 0.816 367 L CB -0.493 41.014 42.059 -0.920 0.000 0.967 367 L HN -0.021 nan 8.230 nan 0.000 0.460 368 E N 0.889 121.014 120.200 -0.124 0.000 2.097 368 E HA -0.198 4.151 4.350 -0.001 0.000 0.196 368 E C -0.514 176.092 176.600 0.010 0.000 1.000 368 E CA 1.442 57.870 56.400 0.048 0.000 0.804 368 E CB -1.441 28.294 29.700 0.058 0.000 0.740 368 E HN 0.403 nan 8.360 nan 0.000 0.454 369 P HA -0.053 nan 4.420 nan 0.000 0.244 369 P C 0.582 177.828 177.300 -0.090 0.000 1.211 369 P CA 0.728 63.796 63.100 -0.054 0.000 0.760 369 P CB 0.094 31.756 31.700 -0.063 0.000 0.961 370 V N -6.352 113.505 119.914 -0.095 0.000 3.686 370 V HA 0.269 4.388 4.120 -0.001 0.000 0.299 370 V C 1.874 177.973 176.094 0.008 0.000 1.607 370 V CA -0.399 61.845 62.300 -0.093 0.000 1.172 370 V CB -0.680 30.999 31.823 -0.241 0.000 0.972 370 V HN -0.137 nan 8.190 nan 0.000 0.442 371 R N 1.787 122.337 120.500 0.084 0.000 2.189 371 R HA -0.299 4.041 4.340 -0.001 0.000 0.252 371 R C 2.010 178.432 176.300 0.204 0.000 1.134 371 R CA 2.850 59.105 56.100 0.258 0.000 0.954 371 R CB -0.185 30.306 30.300 0.318 0.000 0.890 371 R HN 0.731 nan 8.270 nan 0.000 0.443 372 E N -1.509 118.761 120.200 0.118 0.000 2.427 372 E HA -0.043 4.307 4.350 -0.001 0.000 0.196 372 E C 1.306 177.953 176.600 0.078 0.000 1.028 372 E CA 0.553 57.007 56.400 0.089 0.000 0.864 372 E CB 0.233 29.968 29.700 0.057 0.000 0.813 372 E HN 0.545 nan 8.360 nan 0.000 0.514 373 A N 0.197 123.060 122.820 0.073 0.000 1.956 373 A HA 0.003 4.322 4.320 -0.001 0.000 0.212 373 A C 1.858 179.500 177.584 0.097 0.000 1.188 373 A CA 0.110 52.185 52.037 0.063 0.000 0.675 373 A CB -0.115 18.905 19.000 0.034 0.000 0.845 373 A HN 0.264 nan 8.150 nan 0.000 0.455 374 L N -0.113 121.190 121.223 0.133 0.000 2.072 374 L HA 0.084 4.423 4.340 -0.001 0.000 0.205 374 L C 1.985 178.988 176.870 0.220 0.000 1.079 374 L CA 1.528 56.489 54.840 0.203 0.000 0.752 374 L CB -0.395 41.807 42.059 0.239 0.000 0.906 374 L HN 0.356 nan 8.230 nan 0.000 0.436 375 L N -1.028 120.331 121.223 0.226 0.000 2.376 375 L HA -0.097 4.243 4.340 -0.001 0.000 0.219 375 L C 2.337 179.276 176.870 0.115 0.000 1.133 375 L CA 0.410 55.366 54.840 0.193 0.000 0.816 375 L CB -0.285 41.880 42.059 0.176 0.000 0.933 375 L HN 0.373 nan 8.230 nan 0.000 0.449 376 Q N 0.336 120.196 119.800 0.099 0.000 2.061 376 Q HA -0.022 4.317 4.340 -0.001 0.000 0.195 376 Q C 2.293 178.329 176.000 0.059 0.000 0.967 376 Q CA 1.731 57.573 55.803 0.066 0.000 0.829 376 Q CB -0.160 28.611 28.738 0.055 0.000 0.900 376 Q HN 0.349 nan 8.270 nan 0.000 0.450 377 A N -0.334 122.529 122.820 0.072 0.000 1.940 377 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 377 A C 2.227 179.839 177.584 0.047 0.000 1.176 377 A CA 2.366 54.438 52.037 0.059 0.000 0.631 377 A CB -1.094 17.953 19.000 0.079 0.000 0.814 377 A HN 0.614 nan 8.150 nan 0.000 0.446 378 T N -4.436 110.160 114.554 0.071 0.000 3.044 378 T HA 0.146 4.496 4.350 -0.001 0.000 0.255 378 T C 0.658 175.381 174.700 0.038 0.000 1.073 378 T CA 0.963 63.092 62.100 0.049 0.000 1.125 378 T CB -0.245 68.670 68.868 0.078 0.000 0.908 378 T HN 0.613 nan 8.240 nan 0.000 0.480 379 E N 0.170 120.401 120.200 0.051 0.000 3.628 379 E HA -0.157 4.192 4.350 -0.001 0.000 0.309 379 E C 0.330 176.953 176.600 0.039 0.000 0.839 379 E CA 0.095 56.517 56.400 0.037 0.000 1.123 379 E CB -2.208 27.503 29.700 0.020 0.000 1.568 379 E HN 0.841 nan 8.360 nan 0.000 0.440 380 A N 1.280 124.136 122.820 0.060 0.000 2.520 380 A HA 0.284 4.604 4.320 -0.001 0.000 0.245 380 A C 0.631 178.235 177.584 0.034 0.000 1.072 380 A CA 0.466 52.539 52.037 0.060 0.000 0.761 380 A CB 0.348 19.416 19.000 0.114 0.000 1.004 380 A HN 0.208 nan 8.150 nan 0.000 0.499 381 R N 1.781 122.291 120.500 0.016 0.000 2.730 381 R HA 0.481 4.820 4.340 -0.001 0.000 0.228 381 R C -2.681 173.603 176.300 -0.026 0.000 1.312 381 R CA -1.845 54.252 56.100 -0.006 0.000 1.093 381 R CB 0.259 30.558 30.300 -0.002 0.000 1.583 381 R HN 0.414 nan 8.270 nan 0.000 0.535 382 P HA 0.193 nan 4.420 nan 0.000 0.293 382 P C -0.139 177.147 177.300 -0.023 0.000 1.300 382 P CA 0.115 63.186 63.100 -0.049 0.000 0.792 382 P CB 1.217 32.888 31.700 -0.049 0.000 0.925 383 G N 1.809 110.601 108.800 -0.013 0.000 2.192 383 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.193 383 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.193 383 G C -0.158 174.751 174.900 0.014 0.000 0.999 383 G CA -0.430 44.670 45.100 0.001 0.000 0.659 383 G HN 0.467 nan 8.290 nan 0.000 0.503 384 D N -0.210 120.205 120.400 0.025 0.000 2.437 384 D HA 0.734 5.373 4.640 -0.001 0.000 0.259 384 D C 0.067 176.421 176.300 0.089 0.000 1.118 384 D CA 0.233 54.260 54.000 0.045 0.000 1.017 384 D CB 1.474 42.302 40.800 0.047 0.000 1.120 384 D HN 0.060 nan 8.370 nan 0.000 0.541 385 T N 0.116 114.734 114.554 0.106 0.000 2.971 385 T HA 0.477 4.826 4.350 -0.001 0.000 0.304 385 T C -1.012 173.783 174.700 0.159 0.000 1.038 385 T CA -0.657 61.557 62.100 0.190 0.000 1.007 385 T CB 0.337 69.300 68.868 0.157 0.000 1.055 385 T HN 0.134 nan 8.240 nan 0.000 0.451 386 L N 4.606 125.962 121.223 0.221 0.000 2.350 386 L HA 0.577 4.916 4.340 -0.001 0.000 0.275 386 L C -0.800 175.979 176.870 -0.152 0.000 1.099 386 L CA -0.999 53.813 54.840 -0.047 0.000 0.808 386 L CB 1.034 43.056 42.059 -0.062 0.000 1.149 386 L HN 0.402 nan 8.230 nan 0.000 0.442 387 L N 3.430 124.420 121.223 -0.387 0.000 2.346 387 L HA 0.583 4.922 4.340 -0.001 0.000 0.276 387 L C -0.648 175.957 176.870 -0.441 0.000 1.006 387 L CA 0.092 54.831 54.840 -0.168 0.000 0.817 387 L CB 1.554 43.602 42.059 -0.020 0.000 1.272 387 L HN 0.216 nan 8.230 nan 0.000 0.421 388 F N 2.211 122.249 119.950 0.146 0.000 2.576 388 F HA 0.796 5.322 4.527 -0.001 0.000 0.313 388 F C -0.232 175.594 175.800 0.043 0.000 1.078 388 F CA -1.155 56.869 58.000 0.041 0.000 0.921 388 F CB 2.139 41.193 39.000 0.091 0.000 1.232 388 F HN 0.101 nan 8.300 nan 0.000 0.459 389 V N 1.823 121.784 119.914 0.078 0.000 2.711 389 V HA 0.884 5.003 4.120 -0.001 0.000 0.304 389 V C -1.210 174.813 176.094 -0.118 0.000 1.097 389 V CA -0.343 61.980 62.300 0.037 0.000 0.906 389 V CB 1.356 33.202 31.823 0.038 0.000 1.015 389 V HN 1.120 nan 8.190 nan 0.000 0.427 390 A N 4.450 127.212 122.820 -0.096 0.000 2.309 390 A HA 1.108 5.427 4.320 -0.001 0.000 0.317 390 A C 0.438 177.995 177.584 -0.045 0.000 1.134 390 A CA -0.004 51.935 52.037 -0.164 0.000 0.866 390 A CB 1.611 20.497 19.000 -0.191 0.000 1.329 390 A HN 2.544 nan 8.150 nan 0.000 0.477 391 G N -1.311 107.458 108.800 -0.052 0.000 2.302 391 G HA2 0.312 4.271 3.960 -0.001 0.000 0.276 391 G HA3 0.312 4.271 3.960 -0.001 0.000 0.276 391 G C -3.179 171.701 174.900 -0.033 0.000 1.316 391 G CA -0.150 44.938 45.100 -0.020 0.000 0.988 391 G HN 0.652 nan 8.290 nan 0.000 0.479 392 P HA 0.052 nan 4.420 nan 0.000 0.296 392 P C 0.921 178.201 177.300 -0.033 0.000 1.358 392 P CA 1.173 64.259 63.100 -0.023 0.000 0.876 392 P CB 0.172 31.864 31.700 -0.013 0.000 1.471 393 R N -0.011 120.473 120.500 -0.027 0.000 2.005 393 R HA 0.090 4.429 4.340 -0.001 0.000 0.213 393 R C 2.023 178.302 176.300 -0.033 0.000 1.308 393 R CA 1.046 57.127 56.100 -0.032 0.000 1.022 393 R CB -2.165 28.123 30.300 -0.020 0.000 0.883 393 R HN 0.182 nan 8.270 nan 0.000 0.470 394 K N 1.984 122.374 120.400 -0.017 0.000 2.020 394 K HA -0.140 4.179 4.320 -0.001 0.000 0.212 394 K C 1.941 178.531 176.600 -0.016 0.000 1.050 394 K CA 2.596 58.876 56.287 -0.012 0.000 0.929 394 K CB -0.552 31.959 32.500 0.018 0.000 0.714 394 K HN 0.224 nan 8.250 nan 0.000 0.443 395 V N -0.545 119.368 119.914 -0.002 0.000 2.392 395 V HA -0.159 3.960 4.120 -0.001 0.000 0.249 395 V C 2.635 178.722 176.094 -0.010 0.000 1.059 395 V CA 2.047 64.352 62.300 0.008 0.000 1.051 395 V CB -1.519 30.317 31.823 0.022 0.000 0.658 395 V HN 0.373 nan 8.190 nan 0.000 0.455 396 A N 0.683 123.485 122.820 -0.030 0.000 1.898 396 A HA 0.121 4.441 4.320 -0.001 0.000 0.216 396 A C 2.473 180.018 177.584 -0.065 0.000 1.181 396 A CA 2.371 54.378 52.037 -0.050 0.000 0.620 396 A CB -0.996 17.958 19.000 -0.077 0.000 0.819 396 A HN 0.913 nan 8.150 nan 0.000 0.442 397 A N -1.134 121.642 122.820 -0.073 0.000 1.872 397 A HA -0.043 4.277 4.320 -0.001 0.000 0.214 397 A C 2.442 179.968 177.584 -0.097 0.000 1.187 397 A CA 2.351 54.333 52.037 -0.091 0.000 0.614 397 A CB -1.280 17.659 19.000 -0.101 0.000 0.826 397 A HN 0.580 nan 8.150 nan 0.000 0.442 398 T N -0.586 113.913 114.554 -0.092 0.000 2.674 398 T HA -0.047 4.302 4.350 -0.001 0.000 0.265 398 T C 2.008 176.570 174.700 -0.231 0.000 1.039 398 T CA 2.370 64.385 62.100 -0.142 0.000 1.150 398 T CB -0.604 68.204 68.868 -0.099 0.000 0.864 398 T HN 0.571 nan 8.240 nan 0.000 0.427 399 A N 1.897 124.637 122.820 -0.134 0.000 1.873 399 A HA 0.037 4.356 4.320 -0.001 0.000 0.218 399 A C 2.460 180.007 177.584 -0.062 0.000 1.193 399 A CA 1.724 53.716 52.037 -0.074 0.000 0.629 399 A CB -1.169 17.866 19.000 0.060 0.000 0.826 399 A HN 0.560 nan 8.150 nan 0.000 0.447 400 L N -0.230 120.965 121.223 -0.047 0.000 2.465 400 L HA -0.036 4.303 4.340 -0.001 0.000 0.224 400 L C 2.089 178.930 176.870 -0.049 0.000 1.145 400 L CA 1.554 56.373 54.840 -0.034 0.000 0.834 400 L CB -1.189 40.840 42.059 -0.049 0.000 0.944 400 L HN 0.452 nan 8.230 nan 0.000 0.451 401 G N -0.892 107.856 108.800 -0.087 0.000 2.411 401 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.213 401 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.213 401 G C 1.648 176.510 174.900 -0.064 0.000 1.166 401 G CA 0.616 45.673 45.100 -0.072 0.000 0.802 401 G HN 0.480 nan 8.290 nan 0.000 0.533 402 A N 0.875 123.602 122.820 -0.156 0.000 1.873 402 A HA 0.045 4.364 4.320 -0.001 0.000 0.215 402 A C 2.686 180.293 177.584 0.038 0.000 1.186 402 A CA 2.412 54.396 52.037 -0.087 0.000 0.616 402 A CB -0.966 17.891 19.000 -0.238 0.000 0.823 402 A HN 0.918 nan 8.150 nan 0.000 0.442 403 V N -0.959 118.982 119.914 0.045 0.000 2.568 403 V HA -0.238 3.881 4.120 -0.001 0.000 0.253 403 V C 2.288 178.424 176.094 0.071 0.000 1.072 403 V CA 2.404 64.744 62.300 0.067 0.000 1.084 403 V CB -1.087 30.775 31.823 0.066 0.000 0.676 403 V HN 0.622 nan 8.190 nan 0.000 0.469 404 R N -0.649 119.897 120.500 0.076 0.000 2.115 404 R HA -0.057 4.282 4.340 -0.001 0.000 0.230 404 R C 2.119 178.579 176.300 0.268 0.000 1.111 404 R CA 1.555 57.743 56.100 0.147 0.000 0.976 404 R CB -0.221 30.143 30.300 0.107 0.000 0.870 404 R HN 0.469 nan 8.270 nan 0.000 0.445 405 L N 0.936 122.279 121.223 0.200 0.000 2.023 405 L HA -0.017 4.323 4.340 -0.001 0.000 0.205 405 L C 2.501 179.418 176.870 0.078 0.000 1.073 405 L CA 1.558 56.527 54.840 0.215 0.000 0.745 405 L CB -1.274 40.864 42.059 0.133 0.000 0.900 405 L HN 0.177 nan 8.230 nan 0.000 0.435 406 R N -0.290 120.245 120.500 0.057 0.000 2.096 406 R HA -0.181 4.158 4.340 -0.001 0.000 0.240 406 R C 2.121 178.409 176.300 -0.020 0.000 1.139 406 R CA 1.594 57.703 56.100 0.015 0.000 0.952 406 R CB -0.691 29.627 30.300 0.031 0.000 0.854 406 R HN 0.384 nan 8.270 nan 0.000 0.436 407 A N 1.091 123.912 122.820 0.000 0.000 1.892 407 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 407 A C 2.410 179.932 177.584 -0.103 0.000 1.188 407 A CA 2.155 54.175 52.037 -0.029 0.000 0.631 407 A CB -0.761 18.247 19.000 0.013 0.000 0.822 407 A HN 0.423 nan 8.150 nan 0.000 0.447 408 A N -0.464 122.248 122.820 -0.180 0.000 1.986 408 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 408 A C 1.808 179.186 177.584 -0.344 0.000 1.171 408 A CA 2.093 53.840 52.037 -0.484 0.000 0.640 408 A CB -0.554 17.690 19.000 -1.259 0.000 0.811 408 A HN 0.536 nan 8.150 nan 0.000 0.451 409 D N -0.036 120.233 120.400 -0.218 0.000 2.084 409 D HA -0.059 4.580 4.640 -0.001 0.000 0.199 409 D C 2.149 178.375 176.300 -0.124 0.000 0.981 409 D CA 1.091 54.997 54.000 -0.156 0.000 0.841 409 D CB -0.424 40.315 40.800 -0.101 0.000 0.997 409 D HN 0.402 nan 8.370 nan 0.000 0.454 410 L N 0.678 121.842 121.223 -0.098 0.000 1.990 410 L HA -0.170 4.169 4.340 -0.001 0.000 0.213 410 L C 2.283 179.097 176.870 -0.093 0.000 1.072 410 L CA 1.022 55.812 54.840 -0.084 0.000 0.755 410 L CB -0.680 41.337 42.059 -0.071 0.000 0.889 410 L HN 0.062 nan 8.230 nan 0.000 0.432 411 L N 0.542 121.702 121.223 -0.105 0.000 2.675 411 L HA 0.082 4.421 4.340 -0.001 0.000 0.239 411 L C 1.112 177.912 176.870 -0.116 0.000 1.151 411 L CA 0.007 54.787 54.840 -0.101 0.000 0.905 411 L CB -1.357 40.646 42.059 -0.093 0.000 1.057 411 L HN 0.440 nan 8.230 nan 0.000 0.435 412 G N 1.900 110.623 108.800 -0.129 0.000 2.216 412 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.263 412 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.263 412 G C 0.067 174.879 174.900 -0.148 0.000 0.837 412 G CA 0.132 45.150 45.100 -0.135 0.000 1.227 412 G HN 0.318 nan 8.290 nan 0.000 0.407 413 L N 0.255 121.354 121.223 -0.207 0.000 2.371 413 L HA 0.299 4.638 4.340 -0.001 0.000 0.272 413 L C 1.294 178.052 176.870 -0.187 0.000 1.124 413 L CA -0.814 53.907 54.840 -0.198 0.000 0.816 413 L CB 1.033 42.934 42.059 -0.264 0.000 1.129 413 L HN 0.342 nan 8.230 nan 0.000 0.448 414 K N 3.536 123.863 120.400 -0.122 0.000 2.405 414 K HA -0.038 4.281 4.320 -0.001 0.000 0.273 414 K C -0.569 175.967 176.600 -0.107 0.000 1.116 414 K CA 0.550 56.776 56.287 -0.100 0.000 1.155 414 K CB 0.145 32.605 32.500 -0.066 0.000 0.858 414 K HN 0.506 nan 8.250 nan 0.000 0.477 415 R N 3.850 124.276 120.500 -0.123 0.000 2.487 415 R HA 0.136 4.475 4.340 -0.001 0.000 0.288 415 R C -1.175 175.046 176.300 -0.132 0.000 1.394 415 R CA -0.690 55.340 56.100 -0.116 0.000 1.155 415 R CB 1.210 31.422 30.300 -0.146 0.000 1.156 415 R HN 0.569 nan 8.270 nan 0.000 0.553 416 E N 1.257 121.374 120.200 -0.138 0.000 2.336 416 E HA 0.695 5.045 4.350 -0.001 0.000 0.267 416 E C 0.317 176.764 176.600 -0.254 0.000 0.906 416 E CA 0.132 56.419 56.400 -0.189 0.000 0.781 416 E CB 1.590 31.201 29.700 -0.147 0.000 1.261 416 E HN 0.465 nan 8.360 nan 0.000 0.436 417 G N 0.891 109.443 108.800 -0.412 0.000 2.697 417 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.240 417 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.240 417 G C -0.819 173.635 174.900 -0.743 0.000 1.346 417 G CA -0.070 44.671 45.100 -0.598 0.000 0.887 417 G HN 0.433 nan 8.290 nan 0.000 0.569 418 F N 0.450 120.332 119.950 -0.113 0.000 2.482 418 F HA 0.724 5.250 4.527 -0.001 0.000 0.331 418 F C 0.856 176.456 175.800 -0.333 0.000 1.115 418 F CA -0.869 56.972 58.000 -0.264 0.000 0.955 418 F CB 2.139 40.972 39.000 -0.279 0.000 1.136 418 F HN 0.221 nan 8.300 nan 0.000 0.452 419 R N 3.821 124.161 120.500 -0.266 0.000 2.412 419 R HA 0.351 4.691 4.340 -0.001 0.000 0.304 419 R C -1.505 174.527 176.300 -0.446 0.000 1.066 419 R CA -0.545 55.382 56.100 -0.287 0.000 0.923 419 R CB 1.192 31.370 30.300 -0.203 0.000 1.156 419 R HN 0.541 nan 8.270 nan 0.000 0.513 420 F N 3.471 123.056 119.950 -0.607 0.000 2.377 420 F HA 0.551 5.077 4.527 -0.001 0.000 0.328 420 F C 0.724 176.121 175.800 -0.673 0.000 1.094 420 F CA -0.702 56.792 58.000 -0.843 0.000 1.093 420 F CB 1.140 39.084 39.000 -1.760 0.000 1.214 420 F HN 0.301 nan 8.300 nan 0.000 0.518 421 L N -0.807 120.230 121.223 -0.311 0.000 2.556 421 L HA 0.567 4.907 4.340 -0.001 0.000 0.257 421 L C -2.159 174.633 176.870 -0.130 0.000 0.955 421 L CA -1.090 53.645 54.840 -0.176 0.000 0.850 421 L CB 1.409 43.414 42.059 -0.091 0.000 1.398 421 L HN 0.579 nan 8.230 nan 0.000 0.412 422 W N 2.065 123.465 121.300 0.167 0.000 2.338 422 W HA 0.672 5.331 4.660 -0.001 0.000 0.307 422 W C -0.484 176.137 176.519 0.171 0.000 1.167 422 W CA -0.804 56.652 57.345 0.185 0.000 1.208 422 W CB 1.972 31.525 29.460 0.154 0.000 1.228 422 W HN 0.233 nan 8.180 nan 0.000 0.499 423 V N 6.342 126.551 119.914 0.492 0.000 2.328 423 V HA 0.294 4.413 4.120 -0.001 0.000 0.278 423 V C 0.256 176.647 176.094 0.494 0.000 1.021 423 V CA -0.759 61.756 62.300 0.358 0.000 0.838 423 V CB 0.361 32.353 31.823 0.281 0.000 0.999 423 V HN 0.427 nan 8.190 nan 0.000 0.447 424 V N 1.404 121.524 119.914 0.344 0.000 3.284 424 V HA 0.701 4.820 4.120 -0.001 0.000 0.309 424 V C 0.348 176.601 176.094 0.264 0.000 1.190 424 V CA -0.798 61.714 62.300 0.353 0.000 1.038 424 V CB 1.576 33.540 31.823 0.235 0.000 1.198 424 V HN 0.740 nan 8.190 nan 0.000 0.465 425 D N -0.759 119.790 120.400 0.247 0.000 2.751 425 D HA -0.196 4.443 4.640 -0.001 0.000 0.233 425 D C -0.247 176.153 176.300 0.168 0.000 1.149 425 D CA 1.016 55.132 54.000 0.193 0.000 0.682 425 D CB -1.355 39.540 40.800 0.159 0.000 1.068 425 D HN 0.532 nan 8.370 nan 0.000 0.429 426 F N 0.485 120.433 119.950 -0.003 0.000 2.535 426 F HA 0.196 4.723 4.527 -0.001 0.000 0.332 426 F C -1.108 174.568 175.800 -0.206 0.000 1.208 426 F CA -0.740 57.137 58.000 -0.205 0.000 1.330 426 F CB 0.081 38.960 39.000 -0.202 0.000 1.167 426 F HN -0.133 nan 8.300 nan 0.000 0.597 427 P HA 0.098 nan 4.420 nan 0.000 0.286 427 P C 0.421 177.712 177.300 -0.015 0.000 1.261 427 P CA -0.359 62.707 63.100 -0.055 0.000 0.821 427 P CB 1.549 33.196 31.700 -0.089 0.000 1.013 428 L N 3.129 124.335 121.223 -0.028 0.000 2.012 428 L HA -0.103 4.236 4.340 -0.001 0.000 0.210 428 L C 1.070 177.936 176.870 -0.007 0.000 1.073 428 L CA 2.045 56.863 54.840 -0.037 0.000 0.748 428 L CB -0.589 41.430 42.059 -0.067 0.000 0.891 428 L HN 0.330 nan 8.230 nan 0.000 0.431 429 L N -1.723 119.490 121.223 -0.016 0.000 2.491 429 L HA 0.463 4.802 4.340 -0.001 0.000 0.264 429 L C -0.322 176.705 176.870 0.263 0.000 1.053 429 L CA -0.747 54.156 54.840 0.106 0.000 0.858 429 L CB 1.042 43.111 42.059 0.016 0.000 1.519 429 L HN -0.018 nan 8.230 nan 0.000 0.508 430 E N -0.219 120.260 120.200 0.465 0.000 2.381 430 E HA 0.085 4.435 4.350 -0.001 0.000 0.286 430 E C -2.040 174.783 176.600 0.370 0.000 0.960 430 E CA -0.674 55.968 56.400 0.403 0.000 0.793 430 E CB 1.724 31.536 29.700 0.186 0.000 1.225 430 E HN 0.526 nan 8.360 nan 0.000 0.420 431 W N 5.697 126.979 121.300 -0.030 0.000 2.311 431 W HA 0.246 4.905 4.660 -0.001 0.000 0.310 431 W C -0.799 175.582 176.519 -0.229 0.000 1.274 431 W CA -0.045 57.048 57.345 -0.419 0.000 1.215 431 W CB 1.100 30.177 29.460 -0.638 0.000 1.227 431 W HN 0.582 nan 8.180 nan 0.000 0.523 432 D N 4.626 124.434 120.400 -0.988 0.000 2.317 432 D HA -0.013 4.626 4.640 -0.001 0.000 0.234 432 D C 0.738 176.482 176.300 -0.927 0.000 1.112 432 D CA 0.148 53.727 54.000 -0.703 0.000 0.840 432 D CB 1.295 41.759 40.800 -0.560 0.000 1.078 432 D HN 0.634 nan 8.370 nan 0.000 0.486 433 E N 2.826 122.819 120.200 -0.346 0.000 2.112 433 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 433 E C 1.251 177.807 176.600 -0.072 0.000 0.979 433 E CA 0.562 56.942 56.400 -0.034 0.000 0.814 433 E CB 0.280 30.058 29.700 0.129 0.000 0.762 433 E HN 0.504 nan 8.360 nan 0.000 0.460 434 E N 0.577 120.711 120.200 -0.111 0.000 2.516 434 E HA -0.092 4.258 4.350 -0.001 0.000 0.199 434 E C -0.282 176.245 176.600 -0.120 0.000 1.069 434 E CA 0.623 56.971 56.400 -0.086 0.000 0.876 434 E CB 0.130 29.787 29.700 -0.072 0.000 0.843 434 E HN 0.124 nan 8.360 nan 0.000 0.530 435 E N 1.358 121.432 120.200 -0.210 0.000 2.528 435 E HA 0.118 4.467 4.350 -0.001 0.000 0.277 435 E C -1.144 175.215 176.600 -0.401 0.000 0.980 435 E CA -0.224 56.038 56.400 -0.231 0.000 0.796 435 E CB 1.008 30.574 29.700 -0.223 0.000 1.427 435 E HN -0.017 nan 8.360 nan 0.000 0.394 436 E N 1.806 121.846 120.200 -0.267 0.000 3.654 436 E HA 0.112 4.461 4.350 -0.001 0.000 0.287 436 E C -0.213 176.035 176.600 -0.587 0.000 1.256 436 E CA 0.239 56.475 56.400 -0.273 0.000 1.312 436 E CB -0.548 29.214 29.700 0.103 0.000 1.085 436 E HN 0.414 nan 8.360 nan 0.000 0.447 437 A N 0.237 122.368 122.820 -1.148 0.000 2.588 437 A HA 0.595 4.914 4.320 -0.001 0.000 0.290 437 A C -1.530 175.483 177.584 -0.951 0.000 1.136 437 A CA -0.981 50.573 52.037 -0.805 0.000 0.681 437 A CB 0.756 19.579 19.000 -0.295 0.000 1.282 437 A HN 0.232 nan 8.150 nan 0.000 0.421 438 W N 0.365 121.490 121.300 -0.291 0.000 2.313 438 W HA 0.611 5.270 4.660 -0.001 0.000 0.328 438 W C 0.308 176.718 176.519 -0.182 0.000 1.197 438 W CA 0.437 57.688 57.345 -0.156 0.000 1.235 438 W CB 1.782 31.261 29.460 0.031 0.000 1.158 438 W HN 0.681 nan 8.180 nan 0.000 0.578 439 T N 0.767 115.358 114.554 0.061 0.000 2.864 439 T HA 0.348 4.697 4.350 -0.001 0.000 0.289 439 T C -0.938 173.714 174.700 -0.080 0.000 1.082 439 T CA -0.831 61.169 62.100 -0.166 0.000 1.009 439 T CB 0.733 69.325 68.868 -0.460 0.000 1.234 439 T HN 0.192 nan 8.240 nan 0.000 0.526 440 Y N 0.336 120.665 120.300 0.049 0.000 2.397 440 Y HA 0.463 5.012 4.550 -0.001 0.000 0.335 440 Y C 1.617 177.534 175.900 0.029 0.000 1.213 440 Y CA -0.972 57.138 58.100 0.017 0.000 1.391 440 Y CB 0.207 38.645 38.460 -0.037 0.000 1.293 440 Y HN 0.532 nan 8.280 nan 0.000 0.557 441 M N 1.077 120.784 119.600 0.177 0.000 2.160 441 M HA -0.074 4.405 4.480 -0.001 0.000 0.264 441 M C 1.612 178.000 176.300 0.146 0.000 1.073 441 M CA 1.867 57.240 55.300 0.123 0.000 1.142 441 M CB -0.653 31.987 32.600 0.067 0.000 1.358 441 M HN 0.920 nan 8.290 nan 0.000 0.422 442 H N -1.619 117.426 119.070 -0.043 0.000 2.320 442 H HA 0.177 4.732 4.556 -0.001 0.000 0.321 442 H C -0.339 174.948 175.328 -0.069 0.000 1.141 442 H CA 0.804 56.747 56.048 -0.175 0.000 1.670 442 H CB 0.404 29.870 29.762 -0.493 0.000 1.515 442 H HN 0.478 nan 8.280 nan 0.000 0.638 443 H N -2.359 116.625 119.070 -0.143 0.000 3.017 443 H HA 0.200 4.755 4.556 -0.001 0.000 0.346 443 H C -2.588 172.383 175.328 -0.595 0.000 1.286 443 H CA -2.048 53.630 56.048 -0.617 0.000 1.120 443 H CB 1.821 31.293 29.762 -0.483 0.000 1.860 443 H HN -0.017 nan 8.280 nan 0.000 0.542 444 P HA -0.103 nan 4.420 nan 0.000 0.221 444 P C 0.467 177.225 177.300 -0.904 0.000 1.145 444 P CA 1.308 63.916 63.100 -0.820 0.000 0.795 444 P CB -0.141 30.964 31.700 -0.992 0.000 0.775 445 F N -2.117 117.773 119.950 -0.100 0.000 2.732 445 F HA 0.141 4.667 4.527 -0.001 0.000 0.303 445 F C 0.938 176.749 175.800 0.019 0.000 1.110 445 F CA -0.077 57.834 58.000 -0.147 0.000 1.355 445 F CB -1.229 37.573 39.000 -0.329 0.000 1.081 445 F HN -0.325 nan 8.300 nan 0.000 0.565 446 T N 0.743 115.371 114.554 0.125 0.000 2.870 446 T HA 0.076 4.426 4.350 -0.001 0.000 0.300 446 T C 0.412 175.078 174.700 -0.057 0.000 0.989 446 T CA -0.171 61.927 62.100 -0.003 0.000 1.139 446 T CB 0.942 69.726 68.868 -0.141 0.000 0.920 446 T HN 0.171 nan 8.240 nan 0.000 0.537 447 S N 4.576 120.241 115.700 -0.059 0.000 2.528 447 S HA 0.325 4.794 4.470 -0.001 0.000 0.277 447 S C -2.423 172.143 174.600 -0.057 0.000 1.297 447 S CA -1.452 56.712 58.200 -0.059 0.000 1.052 447 S CB 0.236 63.407 63.200 -0.047 0.000 0.917 447 S HN 0.303 nan 8.310 nan 0.000 0.492 448 P HA 0.155 nan 4.420 nan 0.000 0.274 448 P C -0.541 176.779 177.300 0.033 0.000 1.231 448 P CA -0.393 62.700 63.100 -0.012 0.000 0.790 448 P CB 0.304 31.989 31.700 -0.025 0.000 0.951 449 H N 4.864 123.917 119.070 -0.028 0.000 3.034 449 H HA -0.018 4.538 4.556 -0.001 0.000 0.324 449 H C -1.042 174.275 175.328 -0.017 0.000 1.015 449 H CA -1.171 54.869 56.048 -0.013 0.000 1.429 449 H CB 0.297 30.055 29.762 -0.007 0.000 1.429 449 H HN 0.311 nan 8.280 nan 0.000 0.585 450 P HA -0.200 nan 4.420 nan 0.000 0.220 450 P C 0.493 177.860 177.300 0.111 0.000 1.142 450 P CA 1.401 64.593 63.100 0.152 0.000 0.801 450 P CB 0.610 32.390 31.700 0.132 0.000 0.764 451 E N -0.285 119.980 120.200 0.108 0.000 2.110 451 E HA -0.033 4.316 4.350 -0.001 0.000 0.193 451 E C 1.330 177.906 176.600 -0.041 0.000 0.950 451 E CA 0.453 56.842 56.400 -0.018 0.000 0.840 451 E CB -0.807 28.828 29.700 -0.108 0.000 0.809 451 E HN 0.083 nan 8.360 nan 0.000 0.465 452 D N 0.873 121.238 120.400 -0.057 0.000 2.429 452 D HA -0.141 4.498 4.640 -0.001 0.000 0.230 452 D C 1.269 177.547 176.300 -0.038 0.000 1.005 452 D CA 0.371 54.340 54.000 -0.051 0.000 0.963 452 D CB -0.212 40.564 40.800 -0.039 0.000 0.872 452 D HN 0.182 nan 8.370 nan 0.000 0.524 453 L N 0.315 121.523 121.223 -0.025 0.000 1.989 453 L HA -0.169 4.170 4.340 -0.001 0.000 0.211 453 L C -0.276 176.573 176.870 -0.035 0.000 1.071 453 L CA 1.505 56.328 54.840 -0.029 0.000 0.749 453 L CB -1.477 40.570 42.059 -0.021 0.000 0.890 453 L HN 0.115 nan 8.230 nan 0.000 0.431 454 P HA -0.156 nan 4.420 nan 0.000 0.215 454 P C 1.432 178.710 177.300 -0.036 0.000 1.153 454 P CA 1.106 64.188 63.100 -0.030 0.000 0.853 454 P CB -0.007 31.676 31.700 -0.027 0.000 0.788 455 L N -1.637 119.559 121.223 -0.044 0.000 2.633 455 L HA -0.067 4.272 4.340 -0.001 0.000 0.235 455 L C 1.829 178.656 176.870 -0.072 0.000 1.163 455 L CA 0.989 55.797 54.840 -0.052 0.000 0.859 455 L CB -1.778 40.247 42.059 -0.057 0.000 0.973 455 L HN -0.017 nan 8.230 nan 0.000 0.451 456 L N -0.718 120.464 121.223 -0.069 0.000 2.700 456 L HA -0.060 4.279 4.340 -0.001 0.000 0.240 456 L C 1.772 178.592 176.870 -0.082 0.000 1.162 456 L CA 1.392 56.180 54.840 -0.088 0.000 0.874 456 L CB -0.497 41.520 42.059 -0.070 0.000 1.001 456 L HN 0.315 nan 8.230 nan 0.000 0.447 457 E N -1.878 118.286 120.200 -0.059 0.000 2.701 457 E HA 0.009 4.359 4.350 -0.001 0.000 0.201 457 E C 1.678 178.268 176.600 -0.017 0.000 0.961 457 E CA 0.277 56.657 56.400 -0.032 0.000 1.659 457 E CB 0.367 30.060 29.700 -0.012 0.000 1.970 457 E HN 0.360 nan 8.360 nan 0.000 1.021 458 K N 0.759 121.145 120.400 -0.022 0.000 1.978 458 K HA -0.102 4.217 4.320 -0.001 0.000 0.214 458 K C 0.498 177.093 176.600 -0.009 0.000 1.049 458 K CA 1.472 57.752 56.287 -0.011 0.000 0.939 458 K CB 0.055 32.544 32.500 -0.018 0.000 0.721 458 K HN -0.139 nan 8.250 nan 0.000 0.441 459 D N -0.995 119.383 120.400 -0.036 0.000 2.346 459 D HA 0.205 4.844 4.640 -0.001 0.000 0.255 459 D C -2.297 173.922 176.300 -0.134 0.000 1.276 459 D CA -2.298 51.679 54.000 -0.039 0.000 0.941 459 D CB 1.549 42.337 40.800 -0.020 0.000 1.199 459 D HN -0.237 nan 8.370 nan 0.000 0.537 460 P HA -0.061 nan 4.420 nan 0.000 0.216 460 P C 1.276 178.111 177.300 -0.775 0.000 1.153 460 P CA 1.098 63.847 63.100 -0.585 0.000 0.858 460 P CB 0.391 31.535 31.700 -0.927 0.000 0.789 461 G N -0.303 108.108 108.800 -0.648 0.000 2.813 461 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.209 461 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.209 461 G C 1.160 176.004 174.900 -0.093 0.000 1.150 461 G CA -0.006 44.885 45.100 -0.349 0.000 0.785 461 G HN 0.364 nan 8.290 nan 0.000 0.535 462 R N -0.265 120.177 120.500 -0.095 0.000 2.388 462 R HA 0.328 4.668 4.340 -0.001 0.000 0.247 462 R C -0.444 175.822 176.300 -0.056 0.000 0.931 462 R CA -0.250 55.825 56.100 -0.041 0.000 1.082 462 R CB 0.085 30.369 30.300 -0.026 0.000 1.135 462 R HN 0.043 nan 8.270 nan 0.000 0.525 463 V N 2.745 122.601 119.914 -0.096 0.000 2.432 463 V HA 0.260 4.380 4.120 -0.001 0.000 0.271 463 V C 0.249 176.324 176.094 -0.032 0.000 1.046 463 V CA -0.763 61.491 62.300 -0.076 0.000 0.945 463 V CB 0.816 32.567 31.823 -0.119 0.000 0.992 463 V HN 0.255 nan 8.190 nan 0.000 0.471 464 R N 3.241 123.752 120.500 0.018 0.000 2.441 464 R HA 0.719 5.058 4.340 -0.001 0.000 0.284 464 R C 0.055 176.410 176.300 0.091 0.000 1.070 464 R CA -0.146 56.003 56.100 0.081 0.000 1.047 464 R CB 1.297 31.698 30.300 0.168 0.000 1.016 464 R HN 0.817 nan 8.270 nan 0.000 0.477 465 A N 2.625 125.481 122.820 0.060 0.000 2.311 465 A HA 0.498 4.817 4.320 -0.001 0.000 0.334 465 A C 0.389 177.964 177.584 -0.015 0.000 1.139 465 A CA -0.718 51.320 52.037 0.002 0.000 0.830 465 A CB 0.823 19.794 19.000 -0.048 0.000 1.234 465 A HN 0.697 nan 8.150 nan 0.000 0.483 466 L N 1.662 122.839 121.223 -0.076 0.000 2.955 466 L HA 0.305 4.645 4.340 -0.001 0.000 0.238 466 L C 0.888 177.698 176.870 -0.101 0.000 1.359 466 L CA -0.051 54.745 54.840 -0.074 0.000 1.214 466 L CB -1.008 40.998 42.059 -0.089 0.000 1.600 466 L HN 0.755 nan 8.230 nan 0.000 0.442 467 A N 0.288 123.014 122.820 -0.157 0.000 2.248 467 A HA 0.835 5.155 4.320 -0.001 0.000 0.316 467 A C -0.940 176.513 177.584 -0.219 0.000 1.101 467 A CA -0.266 51.487 52.037 -0.473 0.000 0.875 467 A CB 0.877 19.575 19.000 -0.504 0.000 1.207 467 A HN 0.374 nan 8.150 nan 0.000 0.504 468 Y N -1.997 118.226 120.300 -0.128 0.000 2.521 468 Y HA 0.600 5.149 4.550 -0.001 0.000 0.326 468 Y C -1.695 174.280 175.900 0.125 0.000 1.176 468 Y CA -1.677 56.499 58.100 0.127 0.000 1.079 468 Y CB 0.476 38.980 38.460 0.073 0.000 1.341 468 Y HN 0.472 nan 8.280 nan 0.000 0.456 469 D N 1.899 122.620 120.400 0.535 0.000 2.342 469 D HA 0.541 5.180 4.640 -0.001 0.000 0.243 469 D C -1.529 175.080 176.300 0.515 0.000 1.019 469 D CA -0.446 53.805 54.000 0.418 0.000 0.864 469 D CB 2.557 43.606 40.800 0.414 0.000 1.315 469 D HN 0.640 nan 8.370 nan 0.000 0.468 470 L N 2.608 124.024 121.223 0.321 0.000 2.296 470 L HA 0.630 4.970 4.340 -0.001 0.000 0.286 470 L C -1.124 175.737 176.870 -0.015 0.000 1.023 470 L CA -0.749 54.091 54.840 0.000 0.000 0.812 470 L CB 1.403 43.360 42.059 -0.171 0.000 1.223 470 L HN 0.200 nan 8.230 nan 0.000 0.421 471 V N 5.960 125.823 119.914 -0.085 0.000 2.823 471 V HA 0.768 4.887 4.120 -0.001 0.000 0.312 471 V C -1.876 174.079 176.094 -0.232 0.000 1.072 471 V CA -0.709 61.532 62.300 -0.098 0.000 0.937 471 V CB 2.024 33.820 31.823 -0.046 0.000 1.013 471 V HN 0.838 nan 8.190 nan 0.000 0.430 472 L N 5.427 126.471 121.223 -0.299 0.000 2.439 472 L HA 0.693 5.033 4.340 -0.001 0.000 0.270 472 L C -0.132 176.547 176.870 -0.318 0.000 0.972 472 L CA 0.156 54.675 54.840 -0.535 0.000 0.836 472 L CB 1.369 42.947 42.059 -0.801 0.000 1.255 472 L HN 0.900 nan 8.230 nan 0.000 0.404 473 N N 4.246 122.768 118.700 -0.296 0.000 2.699 473 N HA -0.198 4.541 4.740 -0.001 0.000 0.256 473 N C 0.965 176.401 175.510 -0.124 0.000 0.993 473 N CA 1.493 54.437 53.050 -0.178 0.000 0.759 473 N CB -1.257 37.152 38.487 -0.130 0.000 0.906 473 N HN 1.286 nan 8.380 nan 0.000 0.541 474 G N -2.985 105.728 108.800 -0.144 0.000 2.153 474 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.252 474 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.252 474 G C -0.110 174.752 174.900 -0.063 0.000 0.994 474 G CA 0.394 45.434 45.100 -0.100 0.000 0.698 474 G HN 0.612 nan 8.290 nan 0.000 0.521 475 V N -0.042 119.826 119.914 -0.076 0.000 2.656 475 V HA 0.500 4.619 4.120 -0.001 0.000 0.307 475 V C 0.329 176.403 176.094 -0.033 0.000 1.051 475 V CA -1.001 61.273 62.300 -0.042 0.000 0.893 475 V CB 2.067 33.861 31.823 -0.047 0.000 0.999 475 V HN 0.377 nan 8.190 nan 0.000 0.426 476 E N 2.811 123.020 120.200 0.015 0.000 2.104 476 E HA 0.186 4.536 4.350 -0.001 0.000 0.278 476 E C 0.486 177.115 176.600 0.049 0.000 1.127 476 E CA -0.197 56.236 56.400 0.054 0.000 0.897 476 E CB 1.338 31.099 29.700 0.101 0.000 1.043 476 E HN 0.720 nan 8.360 nan 0.000 0.410 477 V N 1.468 121.398 119.914 0.028 0.000 3.621 477 V HA 0.507 4.626 4.120 -0.001 0.000 0.285 477 V C 0.474 176.633 176.094 0.108 0.000 1.346 477 V CA 0.413 62.735 62.300 0.037 0.000 1.104 477 V CB 0.228 32.024 31.823 -0.046 0.000 0.913 477 V HN 0.520 nan 8.190 nan 0.000 0.432 478 G N -1.505 107.390 108.800 0.159 0.000 2.616 478 G HA2 0.625 4.585 3.960 -0.001 0.000 0.294 478 G HA3 0.625 4.585 3.960 -0.001 0.000 0.294 478 G C -0.825 174.262 174.900 0.310 0.000 1.489 478 G CA -0.077 45.203 45.100 0.300 0.000 0.836 478 G HN 0.871 nan 8.290 nan 0.000 0.527 479 G N -1.155 107.853 108.800 0.347 0.000 2.766 479 G HA2 0.950 4.909 3.960 -0.001 0.000 0.297 479 G HA3 0.950 4.909 3.960 -0.001 0.000 0.297 479 G C -0.226 174.755 174.900 0.135 0.000 1.431 479 G CA 0.453 45.679 45.100 0.210 0.000 1.042 479 G HN 1.657 nan 8.290 nan 0.000 0.542 480 G N -0.586 108.039 108.800 -0.292 0.000 2.706 480 G HA2 1.017 4.976 3.960 -0.001 0.000 0.307 480 G HA3 1.017 4.976 3.960 -0.001 0.000 0.307 480 G C -0.599 173.593 174.900 -1.180 0.000 1.307 480 G CA 0.459 45.323 45.100 -0.394 0.000 0.790 480 G HN 2.111 nan 8.290 nan 0.000 0.503 481 S N -1.439 113.810 115.700 -0.752 0.000 2.686 481 S HA 0.445 4.914 4.470 -0.001 0.000 0.273 481 S C -1.282 173.247 174.600 -0.117 0.000 1.060 481 S CA -0.918 56.863 58.200 -0.698 0.000 0.845 481 S CB 0.775 63.629 63.200 -0.577 0.000 1.086 481 S HN 0.852 nan 8.310 nan 0.000 0.461 482 I N 2.344 122.899 120.570 -0.024 0.000 2.529 482 I HA 0.369 4.539 4.170 -0.001 0.000 0.284 482 I C 0.923 176.998 176.117 -0.070 0.000 1.082 482 I CA -0.180 61.114 61.300 -0.011 0.000 1.406 482 I CB 0.339 38.336 38.000 -0.006 0.000 1.405 482 I HN 0.661 nan 8.210 nan 0.000 0.548 483 R N 5.728 126.133 120.500 -0.157 0.000 2.553 483 R HA 0.564 4.903 4.340 -0.001 0.000 0.263 483 R C -0.335 175.902 176.300 -0.105 0.000 1.066 483 R CA -1.034 54.980 56.100 -0.143 0.000 1.135 483 R CB 0.734 30.869 30.300 -0.276 0.000 1.148 483 R HN 0.426 nan 8.270 nan 0.000 0.558 484 I N 3.089 123.645 120.570 -0.023 0.000 2.416 484 I HA 0.033 4.202 4.170 -0.001 0.000 0.288 484 I C 1.617 177.765 176.117 0.051 0.000 1.051 484 I CA -0.014 61.278 61.300 -0.014 0.000 1.375 484 I CB 0.588 38.554 38.000 -0.057 0.000 1.407 484 I HN 0.665 nan 8.210 nan 0.000 0.516 485 H N 3.344 122.376 119.070 -0.063 0.000 2.827 485 H HA 0.191 4.746 4.556 -0.001 0.000 0.269 485 H C -0.045 175.263 175.328 -0.034 0.000 1.031 485 H CA -0.398 55.651 56.048 0.002 0.000 1.202 485 H CB 0.230 30.017 29.762 0.042 0.000 1.511 485 H HN 0.481 nan 8.280 nan 0.000 0.517 486 D N 4.011 124.201 120.400 -0.350 0.000 2.317 486 D HA 0.061 4.700 4.640 -0.001 0.000 0.252 486 D C -1.397 174.803 176.300 -0.167 0.000 1.174 486 D CA -1.773 52.061 54.000 -0.276 0.000 0.866 486 D CB 2.463 43.083 40.800 -0.300 0.000 1.127 486 D HN 0.101 nan 8.370 nan 0.000 0.467 487 P HA -0.139 nan 4.420 nan 0.000 0.218 487 P C 1.174 178.418 177.300 -0.092 0.000 1.149 487 P CA 0.681 63.707 63.100 -0.124 0.000 0.817 487 P CB 0.493 32.119 31.700 -0.124 0.000 0.785 488 R N -0.019 120.428 120.500 -0.088 0.000 2.070 488 R HA -0.036 4.303 4.340 -0.001 0.000 0.233 488 R C 2.597 178.857 176.300 -0.066 0.000 1.137 488 R CA 0.816 56.878 56.100 -0.063 0.000 0.945 488 R CB -1.627 28.635 30.300 -0.063 0.000 0.845 488 R HN 0.280 nan 8.270 nan 0.000 0.430 489 L N 1.250 122.417 121.223 -0.093 0.000 2.042 489 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 489 L C 2.712 179.506 176.870 -0.127 0.000 1.076 489 L CA 1.660 56.440 54.840 -0.100 0.000 0.749 489 L CB -0.281 41.708 42.059 -0.117 0.000 0.893 489 L HN 0.198 nan 8.230 nan 0.000 0.432 490 Q N -0.160 119.543 119.800 -0.162 0.000 2.135 490 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 490 Q C 1.943 177.763 176.000 -0.300 0.000 0.981 490 Q CA 2.216 57.841 55.803 -0.295 0.000 0.856 490 Q CB -0.199 28.391 28.738 -0.247 0.000 0.902 490 Q HN 0.535 nan 8.270 nan 0.000 0.425 491 A N 0.057 122.852 122.820 -0.042 0.000 2.016 491 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 491 A C 2.074 179.734 177.584 0.128 0.000 1.162 491 A CA 1.074 53.208 52.037 0.161 0.000 0.662 491 A CB -0.504 18.578 19.000 0.137 0.000 0.812 491 A HN 0.407 nan 8.150 nan 0.000 0.450 492 R N -0.182 120.335 120.500 0.029 0.000 2.062 492 R HA -0.085 4.254 4.340 -0.001 0.000 0.231 492 R C 1.761 178.079 176.300 0.030 0.000 1.136 492 R CA 1.917 58.030 56.100 0.022 0.000 0.948 492 R CB -0.472 29.818 30.300 -0.017 0.000 0.845 492 R HN 0.223 nan 8.270 nan 0.000 0.430 493 V N 0.838 120.735 119.914 -0.028 0.000 2.490 493 V HA -0.214 3.906 4.120 -0.001 0.000 0.250 493 V C 2.101 178.243 176.094 0.080 0.000 1.061 493 V CA 1.718 63.996 62.300 -0.037 0.000 1.064 493 V CB -0.579 31.161 31.823 -0.140 0.000 0.670 493 V HN 0.338 nan 8.190 nan 0.000 0.461 494 F N 0.029 119.971 119.950 -0.014 0.000 2.146 494 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 494 F C 2.754 178.579 175.800 0.042 0.000 1.096 494 F CA 1.141 59.148 58.000 0.012 0.000 1.275 494 F CB -0.098 38.931 39.000 0.048 0.000 1.008 494 F HN 0.037 nan 8.300 nan 0.000 0.480 495 R N 0.111 120.750 120.500 0.233 0.000 2.083 495 R HA -0.212 4.127 4.340 -0.001 0.000 0.237 495 R C 2.079 178.450 176.300 0.118 0.000 1.137 495 R CA 1.387 57.570 56.100 0.138 0.000 0.951 495 R CB -0.849 29.512 30.300 0.101 0.000 0.851 495 R HN 0.248 nan 8.270 nan 0.000 0.434 496 L N 0.769 122.055 121.223 0.104 0.000 2.043 496 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 496 L C 1.602 178.547 176.870 0.125 0.000 1.075 496 L CA 1.429 56.321 54.840 0.087 0.000 0.752 496 L CB -0.237 41.841 42.059 0.032 0.000 0.891 496 L HN 0.115 nan 8.230 nan 0.000 0.432 497 L N 0.125 121.435 121.223 0.145 0.000 2.711 497 L HA 0.164 4.503 4.340 -0.001 0.000 0.242 497 L C 1.757 178.700 176.870 0.123 0.000 1.153 497 L CA 1.158 56.093 54.840 0.160 0.000 0.898 497 L CB -1.377 40.812 42.059 0.216 0.000 1.044 497 L HN 0.501 nan 8.230 nan 0.000 0.437 498 G N -0.340 108.525 108.800 0.108 0.000 2.176 498 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.253 498 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.253 498 G C 0.578 175.510 174.900 0.054 0.000 0.979 498 G CA 0.303 45.446 45.100 0.071 0.000 0.641 498 G HN 0.373 nan 8.290 nan 0.000 0.530 499 I N 1.885 122.493 120.570 0.064 0.000 2.395 499 I HA 0.616 4.785 4.170 -0.001 0.000 0.289 499 I C 0.920 177.053 176.117 0.026 0.000 1.023 499 I CA -0.091 61.222 61.300 0.021 0.000 1.350 499 I CB 0.772 38.752 38.000 -0.033 0.000 1.409 499 I HN 0.146 nan 8.210 nan 0.000 0.507 500 G N 5.153 113.958 108.800 0.007 0.000 2.448 500 G HA2 0.158 4.117 3.960 -0.001 0.000 0.285 500 G HA3 0.158 4.117 3.960 -0.001 0.000 0.285 500 G C 0.637 175.542 174.900 0.009 0.000 1.176 500 G CA -0.309 44.801 45.100 0.016 0.000 0.852 500 G HN 0.771 nan 8.290 nan 0.000 0.530 501 E N 1.234 121.450 120.200 0.026 0.000 2.149 501 E HA -0.322 4.027 4.350 -0.001 0.000 0.215 501 E C 2.219 178.825 176.600 0.009 0.000 1.055 501 E CA 2.238 58.655 56.400 0.029 0.000 0.870 501 E CB -0.177 29.541 29.700 0.029 0.000 0.764 501 E HN 0.839 nan 8.360 nan 0.000 0.463 502 E N 0.976 121.175 120.200 -0.002 0.000 2.150 502 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 502 E C 1.918 178.493 176.600 -0.041 0.000 0.985 502 E CA 1.464 57.856 56.400 -0.014 0.000 0.814 502 E CB -0.383 29.310 29.700 -0.010 0.000 0.752 502 E HN 0.428 nan 8.360 nan 0.000 0.466 503 E N 0.534 120.699 120.200 -0.059 0.000 2.112 503 E HA -0.149 4.200 4.350 -0.001 0.000 0.190 503 E C 2.062 178.556 176.600 -0.177 0.000 0.979 503 E CA 0.584 56.918 56.400 -0.110 0.000 0.814 503 E CB 0.022 29.662 29.700 -0.099 0.000 0.762 503 E HN 0.381 nan 8.360 nan 0.000 0.460 504 Q N 0.134 119.856 119.800 -0.130 0.000 2.181 504 Q HA -0.193 4.146 4.340 -0.001 0.000 0.205 504 Q C 2.206 178.172 176.000 -0.058 0.000 0.980 504 Q CA 1.374 57.108 55.803 -0.116 0.000 0.862 504 Q CB -0.107 28.626 28.738 -0.008 0.000 0.905 504 Q HN 0.115 nan 8.270 nan 0.000 0.429 505 R N 0.384 120.861 120.500 -0.037 0.000 2.119 505 R HA -0.155 4.185 4.340 -0.001 0.000 0.222 505 R C 1.998 178.283 176.300 -0.024 0.000 1.088 505 R CA 1.414 57.511 56.100 -0.004 0.000 0.984 505 R CB 0.161 30.466 30.300 0.009 0.000 0.884 505 R HN 0.103 nan 8.270 nan 0.000 0.447 506 E N 0.670 120.823 120.200 -0.080 0.000 2.086 506 E HA -0.094 4.255 4.350 -0.001 0.000 0.190 506 E C 1.378 177.889 176.600 -0.148 0.000 0.975 506 E CA 1.489 57.840 56.400 -0.081 0.000 0.813 506 E CB 0.186 29.833 29.700 -0.088 0.000 0.768 506 E HN 0.209 nan 8.360 nan 0.000 0.457 507 K N -1.100 119.078 120.400 -0.370 0.000 2.128 507 K HA 0.057 4.377 4.320 -0.001 0.000 0.202 507 K C 0.372 176.453 176.600 -0.864 0.000 1.050 507 K CA 0.908 56.736 56.287 -0.765 0.000 0.966 507 K CB 0.205 31.889 32.500 -1.359 0.000 0.759 507 K HN 0.171 nan 8.250 nan 0.000 0.454 508 F N -0.870 119.036 119.950 -0.074 0.000 2.817 508 F HA 0.297 4.823 4.527 -0.001 0.000 0.319 508 F C 1.503 177.185 175.800 -0.196 0.000 1.136 508 F CA -0.723 57.168 58.000 -0.182 0.000 1.177 508 F CB -0.063 38.978 39.000 0.069 0.000 1.088 508 F HN -0.053 nan 8.300 nan 0.000 0.520 509 G N 1.667 110.482 108.800 0.025 0.000 2.491 509 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.218 509 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.218 509 G C 1.670 176.602 174.900 0.053 0.000 1.180 509 G CA 1.577 46.717 45.100 0.068 0.000 0.774 509 G HN 0.439 nan 8.290 nan 0.000 0.562 510 F N -0.020 120.007 119.950 0.129 0.000 2.120 510 F HA 0.022 4.548 4.527 -0.001 0.000 0.300 510 F C 2.129 178.005 175.800 0.127 0.000 1.095 510 F CA 1.216 59.280 58.000 0.107 0.000 1.249 510 F CB -0.868 38.179 39.000 0.078 0.000 0.995 510 F HN 0.098 nan 8.300 nan 0.000 0.480 511 F N 1.170 120.580 119.950 -0.900 0.000 2.163 511 F HA 0.052 4.578 4.527 -0.001 0.000 0.297 511 F C 1.955 177.655 175.800 -0.166 0.000 1.094 511 F CA 1.140 58.819 58.000 -0.535 0.000 1.290 511 F CB -0.536 38.001 39.000 -0.771 0.000 1.017 511 F HN -0.006 nan 8.300 nan 0.000 0.483 512 L N -0.094 121.009 121.223 -0.200 0.000 2.131 512 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 512 L C 2.543 179.313 176.870 -0.167 0.000 1.092 512 L CA 1.232 55.975 54.840 -0.161 0.000 0.759 512 L CB -0.630 41.467 42.059 0.064 0.000 0.903 512 L HN 0.131 nan 8.230 nan 0.000 0.435 513 E N 0.140 120.298 120.200 -0.069 0.000 2.072 513 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 513 E C 2.274 178.922 176.600 0.080 0.000 0.985 513 E CA 1.277 57.696 56.400 0.031 0.000 0.801 513 E CB -0.019 29.769 29.700 0.147 0.000 0.750 513 E HN 0.453 nan 8.360 nan 0.000 0.452 514 A N 1.344 124.162 122.820 -0.003 0.000 1.917 514 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 514 A C 2.287 179.824 177.584 -0.077 0.000 1.182 514 A CA 1.213 53.253 52.037 0.005 0.000 0.633 514 A CB -0.796 18.140 19.000 -0.107 0.000 0.819 514 A HN 0.232 nan 8.150 nan 0.000 0.448 515 L N -0.826 120.218 121.223 -0.299 0.000 2.353 515 L HA -0.147 4.192 4.340 -0.001 0.000 0.220 515 L C 2.025 178.815 176.870 -0.133 0.000 1.133 515 L CA 1.065 55.759 54.840 -0.242 0.000 0.798 515 L CB -0.423 41.441 42.059 -0.326 0.000 0.922 515 L HN 0.485 nan 8.230 nan 0.000 0.445 516 E N -1.214 118.898 120.200 -0.147 0.000 2.489 516 E HA -0.056 4.294 4.350 -0.001 0.000 0.193 516 E C 0.388 176.789 176.600 -0.331 0.000 1.057 516 E CA 0.193 56.443 56.400 -0.249 0.000 0.866 516 E CB 0.307 29.794 29.700 -0.354 0.000 0.916 516 E HN 0.496 nan 8.360 nan 0.000 0.500 517 Y N 0.246 120.513 120.300 -0.055 0.000 2.683 517 Y HA 0.281 4.830 4.550 -0.001 0.000 0.297 517 Y C 0.843 176.729 175.900 -0.025 0.000 1.147 517 Y CA -0.125 57.955 58.100 -0.033 0.000 1.274 517 Y CB 1.142 39.583 38.460 -0.031 0.000 1.143 517 Y HN -0.008 nan 8.280 nan 0.000 0.527 518 G N 0.773 109.615 108.800 0.070 0.000 2.638 518 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.269 518 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.269 518 G C -0.187 174.741 174.900 0.046 0.000 1.141 518 G CA -0.285 44.853 45.100 0.062 0.000 1.081 518 G HN 0.605 nan 8.290 nan 0.000 0.527 519 A N 2.069 124.912 122.820 0.038 0.000 2.366 519 A HA 0.841 5.160 4.320 -0.001 0.000 0.272 519 A C -0.851 176.741 177.584 0.013 0.000 1.135 519 A CA -0.783 51.261 52.037 0.011 0.000 0.804 519 A CB 0.739 19.772 19.000 0.056 0.000 1.064 519 A HN 0.502 nan 8.150 nan 0.000 0.499 520 P HA 0.399 nan 4.420 nan 0.000 0.281 520 P C -2.962 174.026 177.300 -0.520 0.000 1.264 520 P CA -1.951 60.910 63.100 -0.397 0.000 0.824 520 P CB 0.740 31.960 31.700 -0.801 0.000 1.092 521 P HA 0.086 nan 4.420 nan 0.000 0.268 521 P C -0.462 176.618 177.300 -0.367 0.000 1.205 521 P CA 0.938 63.517 63.100 -0.868 0.000 0.771 521 P CB 0.191 31.530 31.700 -0.602 0.000 0.858 522 H N -0.008 118.875 119.070 -0.312 0.000 3.014 522 H HA 0.787 5.342 4.556 -0.001 0.000 0.337 522 H C -1.003 174.306 175.328 -0.032 0.000 1.320 522 H CA -0.988 54.961 56.048 -0.165 0.000 1.128 522 H CB 1.400 31.070 29.762 -0.155 0.000 1.862 522 H HN 0.651 nan 8.280 nan 0.000 0.536 523 G N -1.385 107.457 108.800 0.069 0.000 2.559 523 G HA2 0.601 4.560 3.960 -0.001 0.000 0.291 523 G HA3 0.601 4.560 3.960 -0.001 0.000 0.291 523 G C -1.072 173.949 174.900 0.203 0.000 1.424 523 G CA -0.172 44.986 45.100 0.096 0.000 0.786 523 G HN 1.011 nan 8.290 nan 0.000 0.485 524 G N -1.387 107.566 108.800 0.256 0.000 2.510 524 G HA2 0.716 4.675 3.960 -0.001 0.000 0.277 524 G HA3 0.716 4.675 3.960 -0.001 0.000 0.277 524 G C -1.669 173.447 174.900 0.360 0.000 1.223 524 G CA 0.170 45.452 45.100 0.303 0.000 0.887 524 G HN 1.415 nan 8.290 nan 0.000 0.485 525 I N -1.248 119.530 120.570 0.347 0.000 3.033 525 I HA 0.639 4.808 4.170 -0.001 0.000 0.306 525 I C -1.629 174.691 176.117 0.337 0.000 1.473 525 I CA -1.049 60.483 61.300 0.388 0.000 0.951 525 I CB 2.096 40.410 38.000 0.524 0.000 1.338 525 I HN 1.248 nan 8.210 nan 0.000 0.518 526 A N 3.232 126.281 122.820 0.381 0.000 2.402 526 A HA 0.667 4.986 4.320 -0.001 0.000 0.291 526 A C -1.973 175.898 177.584 0.477 0.000 1.051 526 A CA -0.367 51.867 52.037 0.329 0.000 0.716 526 A CB 0.741 19.920 19.000 0.299 0.000 1.223 526 A HN 0.520 nan 8.150 nan 0.000 0.425 527 W N 1.222 122.642 121.300 0.200 0.000 2.303 527 W HA 0.570 5.229 4.660 -0.001 0.000 0.334 527 W C 0.794 177.431 176.519 0.196 0.000 1.197 527 W CA -0.864 56.593 57.345 0.187 0.000 1.262 527 W CB 1.104 30.657 29.460 0.154 0.000 1.153 527 W HN 0.915 nan 8.180 nan 0.000 0.596 528 G N 2.277 111.332 108.800 0.425 0.000 2.457 528 G HA2 0.306 4.265 3.960 -0.001 0.000 0.316 528 G HA3 0.306 4.265 3.960 -0.001 0.000 0.316 528 G C 0.451 175.540 174.900 0.314 0.000 1.030 528 G CA -0.469 44.834 45.100 0.338 0.000 1.073 528 G HN 0.516 nan 8.290 nan 0.000 0.430 529 L N 2.117 123.535 121.223 0.324 0.000 2.083 529 L HA -0.031 4.308 4.340 -0.001 0.000 0.209 529 L C 2.122 179.108 176.870 0.193 0.000 1.083 529 L CA 1.789 56.798 54.840 0.281 0.000 0.752 529 L CB -0.054 42.147 42.059 0.237 0.000 0.899 529 L HN 0.497 nan 8.230 nan 0.000 0.433 530 D N -0.709 119.797 120.400 0.177 0.000 2.117 530 D HA -0.191 4.448 4.640 -0.001 0.000 0.197 530 D C 2.217 178.568 176.300 0.084 0.000 0.987 530 D CA 1.195 55.268 54.000 0.120 0.000 0.829 530 D CB -0.108 40.767 40.800 0.125 0.000 0.961 530 D HN 0.395 nan 8.370 nan 0.000 0.460 531 R N 0.193 120.745 120.500 0.086 0.000 2.073 531 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 531 R C 2.452 178.776 176.300 0.040 0.000 1.134 531 R CA 0.567 56.696 56.100 0.048 0.000 0.952 531 R CB -0.477 29.847 30.300 0.041 0.000 0.850 531 R HN 0.108 nan 8.270 nan 0.000 0.433 532 L N 1.055 122.321 121.223 0.072 0.000 2.042 532 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 532 L C 1.890 178.770 176.870 0.016 0.000 1.076 532 L CA 1.671 56.540 54.840 0.049 0.000 0.749 532 L CB -0.208 41.917 42.059 0.111 0.000 0.893 532 L HN 0.133 nan 8.230 nan 0.000 0.432 533 L N -0.985 120.259 121.223 0.035 0.000 2.156 533 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 533 L C 2.640 179.505 176.870 -0.008 0.000 1.095 533 L CA 0.816 55.655 54.840 -0.001 0.000 0.770 533 L CB -0.827 41.245 42.059 0.023 0.000 0.914 533 L HN 0.344 nan 8.230 nan 0.000 0.439 534 A N 0.505 123.329 122.820 0.007 0.000 1.865 534 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 534 A C 2.241 179.830 177.584 0.008 0.000 1.191 534 A CA 1.583 53.621 52.037 0.001 0.000 0.623 534 A CB -0.793 18.208 19.000 0.003 0.000 0.826 534 A HN 0.324 nan 8.150 nan 0.000 0.444 535 L N -1.168 120.064 121.223 0.015 0.000 2.012 535 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 535 L C 2.841 179.791 176.870 0.133 0.000 1.073 535 L CA 1.716 56.592 54.840 0.060 0.000 0.748 535 L CB -0.475 41.603 42.059 0.032 0.000 0.891 535 L HN 0.407 nan 8.230 nan 0.000 0.431 536 M N -0.804 118.793 119.600 -0.004 0.000 2.358 536 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 536 M C 1.707 178.023 176.300 0.027 0.000 1.064 536 M CA 1.889 57.131 55.300 -0.097 0.000 1.093 536 M CB -0.480 31.916 32.600 -0.339 0.000 1.401 536 M HN 0.431 nan 8.290 nan 0.000 0.440 537 T N -4.142 110.423 114.554 0.018 0.000 3.085 537 T HA 0.380 4.729 4.350 -0.001 0.000 0.264 537 T C 1.183 175.887 174.700 0.007 0.000 1.019 537 T CA 0.242 62.343 62.100 0.002 0.000 0.910 537 T CB 0.227 69.079 68.868 -0.028 0.000 1.059 537 T HN 0.521 nan 8.240 nan 0.000 0.542 538 G N 1.534 110.355 108.800 0.036 0.000 2.305 538 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.287 538 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.287 538 G C 0.021 174.909 174.900 -0.020 0.000 1.036 538 G CA 0.246 45.349 45.100 0.005 0.000 0.887 538 G HN 0.682 nan 8.290 nan 0.000 0.505 539 S N 0.622 116.312 115.700 -0.017 0.000 2.562 539 S HA 0.530 4.999 4.470 -0.001 0.000 0.275 539 S C -0.153 174.430 174.600 -0.028 0.000 1.281 539 S CA -0.471 57.711 58.200 -0.030 0.000 1.045 539 S CB 1.794 64.976 63.200 -0.030 0.000 0.962 539 S HN 0.332 nan 8.310 nan 0.000 0.503 540 P HA 0.021 nan 4.420 nan 0.000 0.237 540 P C 0.050 177.335 177.300 -0.026 0.000 1.178 540 P CA 0.430 63.511 63.100 -0.033 0.000 0.766 540 P CB 0.097 31.774 31.700 -0.039 0.000 0.876 541 S N -0.838 114.848 115.700 -0.024 0.000 2.595 541 S HA 0.268 4.737 4.470 -0.001 0.000 0.270 541 S C 0.703 175.296 174.600 -0.013 0.000 1.145 541 S CA -0.731 57.459 58.200 -0.017 0.000 0.825 541 S CB 0.153 63.343 63.200 -0.017 0.000 1.107 541 S HN -0.029 nan 8.310 nan 0.000 0.461 542 I N -0.902 119.665 120.570 -0.005 0.000 3.001 542 I HA 0.106 4.276 4.170 -0.001 0.000 0.268 542 I C 2.123 178.243 176.117 0.005 0.000 1.267 542 I CA 0.305 61.608 61.300 0.005 0.000 1.472 542 I CB -0.416 37.593 38.000 0.015 0.000 1.089 542 I HN 0.550 nan 8.210 nan 0.000 0.468 543 R N 1.290 121.789 120.500 -0.002 0.000 2.193 543 R HA -0.069 4.271 4.340 -0.001 0.000 0.229 543 R C 1.604 177.888 176.300 -0.026 0.000 1.110 543 R CA 1.013 57.110 56.100 -0.005 0.000 0.988 543 R CB -0.257 30.039 30.300 -0.006 0.000 0.871 543 R HN 0.497 nan 8.270 nan 0.000 0.458 544 E N 0.428 120.609 120.200 -0.033 0.000 2.482 544 E HA -0.063 4.286 4.350 -0.001 0.000 0.196 544 E C 1.370 177.942 176.600 -0.047 0.000 1.047 544 E CA 0.810 57.180 56.400 -0.050 0.000 0.869 544 E CB 0.417 30.086 29.700 -0.053 0.000 0.836 544 E HN 0.291 nan 8.360 nan 0.000 0.520 545 V N -2.046 117.852 119.914 -0.027 0.000 3.070 545 V HA 0.410 4.529 4.120 -0.001 0.000 0.345 545 V C 0.413 176.505 176.094 -0.003 0.000 1.403 545 V CA -0.349 61.942 62.300 -0.016 0.000 1.155 545 V CB -0.268 31.556 31.823 0.002 0.000 1.140 545 V HN -0.092 nan 8.190 nan 0.000 0.505 546 I N 0.963 121.523 120.570 -0.018 0.000 2.436 546 I HA 0.689 4.858 4.170 -0.001 0.000 0.289 546 I C 1.541 177.606 176.117 -0.086 0.000 1.010 546 I CA -0.292 61.003 61.300 -0.008 0.000 1.098 546 I CB 2.089 40.106 38.000 0.027 0.000 1.266 546 I HN 0.108 nan 8.210 nan 0.000 0.434 547 A N 6.339 129.084 122.820 -0.125 0.000 1.859 547 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 547 A C 0.704 177.846 177.584 -0.738 0.000 1.198 547 A CA 1.758 53.542 52.037 -0.421 0.000 0.629 547 A CB -0.242 18.552 19.000 -0.343 0.000 0.830 547 A HN 0.588 nan 8.150 nan 0.000 0.446 548 F N 0.758 120.745 119.950 0.061 0.000 2.550 548 F HA 0.357 4.884 4.527 -0.001 0.000 0.348 548 F C -2.258 173.574 175.800 0.053 0.000 1.219 548 F CA -2.242 55.794 58.000 0.061 0.000 1.203 548 F CB 1.161 40.203 39.000 0.070 0.000 1.436 548 F HN 0.112 nan 8.300 nan 0.000 0.541 549 P HA 0.295 nan 4.420 nan 0.000 0.279 549 P C -0.552 176.813 177.300 0.108 0.000 1.276 549 P CA -0.595 62.569 63.100 0.106 0.000 0.801 549 P CB 1.415 33.149 31.700 0.057 0.000 1.127 550 K N 0.766 121.221 120.400 0.092 0.000 2.106 550 K HA 0.276 4.595 4.320 -0.001 0.000 0.246 550 K C 0.657 177.297 176.600 0.066 0.000 0.987 550 K CA -0.457 55.880 56.287 0.084 0.000 0.904 550 K CB 0.433 32.987 32.500 0.090 0.000 1.071 550 K HN 0.572 nan 8.250 nan 0.000 0.453 551 N N -0.179 118.556 118.700 0.059 0.000 2.431 551 N HA 0.052 4.791 4.740 -0.001 0.000 0.289 551 N C 0.724 176.263 175.510 0.048 0.000 1.277 551 N CA -0.321 52.757 53.050 0.045 0.000 0.972 551 N CB 0.277 38.787 38.487 0.039 0.000 1.143 551 N HN 0.334 nan 8.380 nan 0.000 0.578 552 K N -0.537 119.886 120.400 0.038 0.000 2.152 552 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 552 K C 0.972 177.602 176.600 0.049 0.000 1.048 552 K CA 1.405 57.715 56.287 0.039 0.000 0.933 552 K CB -0.113 32.403 32.500 0.027 0.000 0.721 552 K HN 0.637 nan 8.250 nan 0.000 0.447 553 E N -1.237 118.993 120.200 0.050 0.000 2.511 553 E HA 0.035 4.384 4.350 -0.001 0.000 0.196 553 E C 0.720 177.367 176.600 0.080 0.000 1.066 553 E CA 0.461 56.895 56.400 0.058 0.000 0.871 553 E CB 0.137 29.867 29.700 0.050 0.000 0.863 553 E HN 0.545 nan 8.360 nan 0.000 0.520 554 G N 1.801 110.653 108.800 0.088 0.000 2.143 554 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.249 554 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.249 554 G C 0.083 175.042 174.900 0.099 0.000 0.981 554 G CA 0.219 45.388 45.100 0.115 0.000 0.665 554 G HN 0.173 nan 8.290 nan 0.000 0.528 555 K N 0.061 120.508 120.400 0.077 0.000 2.095 555 K HA 0.510 4.830 4.320 -0.001 0.000 0.252 555 K C -0.957 175.681 176.600 0.062 0.000 0.977 555 K CA -0.756 55.571 56.287 0.066 0.000 0.900 555 K CB 1.043 33.576 32.500 0.055 0.000 1.060 555 K HN 0.047 nan 8.250 nan 0.000 0.449 556 D N 2.030 122.464 120.400 0.056 0.000 2.460 556 D HA 0.216 4.855 4.640 -0.001 0.000 0.232 556 D C -2.085 174.240 176.300 0.042 0.000 1.079 556 D CA -2.426 51.609 54.000 0.059 0.000 0.864 556 D CB 1.511 42.346 40.800 0.059 0.000 1.048 556 D HN 0.089 nan 8.370 nan 0.000 0.523 557 P HA -0.106 nan 4.420 nan 0.000 0.218 557 P C 1.538 178.831 177.300 -0.012 0.000 1.149 557 P CA 0.268 63.373 63.100 0.008 0.000 0.817 557 P CB 0.375 32.079 31.700 0.007 0.000 0.785 558 L N -0.053 121.182 121.223 0.021 0.000 2.027 558 L HA -0.096 4.243 4.340 -0.001 0.000 0.206 558 L C 1.938 178.824 176.870 0.027 0.000 1.074 558 L CA 2.788 57.648 54.840 0.034 0.000 0.745 558 L CB -1.744 40.393 42.059 0.129 0.000 0.898 558 L HN 0.056 nan 8.230 nan 0.000 0.433 559 T N -4.863 109.704 114.554 0.022 0.000 3.015 559 T HA 0.409 4.758 4.350 -0.001 0.000 0.250 559 T C 1.477 176.181 174.700 0.006 0.000 1.057 559 T CA 0.427 62.530 62.100 0.006 0.000 1.066 559 T CB 0.268 69.131 68.868 -0.008 0.000 0.959 559 T HN 0.671 nan 8.240 nan 0.000 0.488 560 G N 1.352 110.159 108.800 0.012 0.000 2.195 560 G HA2 0.018 3.977 3.960 -0.001 0.000 0.224 560 G HA3 0.018 3.977 3.960 -0.001 0.000 0.224 560 G C 0.299 175.212 174.900 0.021 0.000 0.990 560 G CA -0.128 44.981 45.100 0.014 0.000 0.639 560 G HN 1.127 nan 8.290 nan 0.000 0.514 561 A N 1.526 124.360 122.820 0.023 0.000 2.371 561 A HA 0.713 5.032 4.320 -0.001 0.000 0.257 561 A C -1.367 176.242 177.584 0.041 0.000 1.089 561 A CA -0.663 51.391 52.037 0.029 0.000 0.794 561 A CB 0.498 19.512 19.000 0.025 0.000 1.029 561 A HN 0.259 nan 8.150 nan 0.000 0.488 562 P HA 0.277 nan 4.420 nan 0.000 0.278 562 P C -0.439 176.885 177.300 0.040 0.000 1.238 562 P CA -0.020 63.108 63.100 0.047 0.000 0.794 562 P CB 1.348 33.087 31.700 0.064 0.000 0.955 563 S N 1.573 117.293 115.700 0.035 0.000 2.661 563 S HA 0.756 5.225 4.470 -0.001 0.000 0.285 563 S C -2.561 172.057 174.600 0.030 0.000 1.138 563 S CA -1.251 56.967 58.200 0.030 0.000 0.855 563 S CB 0.314 63.527 63.200 0.022 0.000 1.136 563 S HN 0.381 nan 8.310 nan 0.000 0.484 564 P HA 0.475 nan 4.420 nan 0.000 0.272 564 P C -0.672 176.641 177.300 0.021 0.000 1.230 564 P CA -0.432 62.683 63.100 0.025 0.000 0.788 564 P CB 0.630 32.343 31.700 0.022 0.000 0.949 565 V N -1.870 118.056 119.914 0.021 0.000 2.823 565 V HA 0.570 4.690 4.120 -0.001 0.000 0.312 565 V C -2.701 173.400 176.094 0.012 0.000 1.072 565 V CA -2.559 59.750 62.300 0.016 0.000 0.937 565 V CB 0.740 32.573 31.823 0.018 0.000 1.013 565 V HN 0.350 nan 8.190 nan 0.000 0.430 566 P HA 0.150 nan 4.420 nan 0.000 0.266 566 P C 0.827 178.129 177.300 0.004 0.000 1.193 566 P CA 0.151 63.254 63.100 0.004 0.000 0.770 566 P CB 0.573 32.273 31.700 0.001 0.000 0.836 567 E N 1.119 121.321 120.200 0.003 0.000 2.085 567 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 567 E C 1.443 178.041 176.600 -0.003 0.000 0.994 567 E CA 1.283 57.685 56.400 0.002 0.000 0.801 567 E CB 0.079 29.781 29.700 0.003 0.000 0.743 567 E HN 0.559 nan 8.360 nan 0.000 0.453 568 E N 0.438 120.634 120.200 -0.006 0.000 2.070 568 E HA -0.278 4.071 4.350 -0.001 0.000 0.197 568 E C 2.193 178.782 176.600 -0.017 0.000 1.004 568 E CA 1.120 57.513 56.400 -0.012 0.000 0.805 568 E CB -0.151 29.541 29.700 -0.012 0.000 0.744 568 E HN 0.281 nan 8.360 nan 0.000 0.451 569 Q N 0.639 120.430 119.800 -0.013 0.000 2.050 569 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 569 Q C 2.346 178.336 176.000 -0.017 0.000 0.980 569 Q CA 1.024 56.817 55.803 -0.017 0.000 0.840 569 Q CB -0.046 28.687 28.738 -0.009 0.000 0.898 569 Q HN 0.312 nan 8.270 nan 0.000 0.424 570 L N 0.295 121.514 121.223 -0.006 0.000 2.093 570 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 570 L C 2.615 179.477 176.870 -0.013 0.000 1.085 570 L CA 0.956 55.796 54.840 -0.000 0.000 0.755 570 L CB -0.207 41.861 42.059 0.015 0.000 0.904 570 L HN 0.188 nan 8.230 nan 0.000 0.435 571 R N 0.685 121.175 120.500 -0.016 0.000 2.081 571 R HA -0.249 4.090 4.340 -0.001 0.000 0.235 571 R C 2.049 178.324 176.300 -0.042 0.000 1.131 571 R CA 1.891 57.978 56.100 -0.023 0.000 0.960 571 R CB -0.483 29.806 30.300 -0.018 0.000 0.856 571 R HN 0.420 nan 8.270 nan 0.000 0.436 572 E N -0.278 119.892 120.200 -0.050 0.000 2.265 572 E HA -0.144 4.206 4.350 -0.001 0.000 0.196 572 E C 1.037 177.572 176.600 -0.108 0.000 0.996 572 E CA 0.904 57.259 56.400 -0.075 0.000 0.832 572 E CB -0.011 29.646 29.700 -0.071 0.000 0.756 572 E HN 0.414 nan 8.360 nan 0.000 0.491 573 L N -0.430 120.737 121.223 -0.093 0.000 2.607 573 L HA 0.249 4.589 4.340 -0.001 0.000 0.228 573 L C 1.174 177.976 176.870 -0.113 0.000 1.123 573 L CA 0.243 55.011 54.840 -0.121 0.000 0.890 573 L CB 0.330 42.339 42.059 -0.083 0.000 1.103 573 L HN 0.293 nan 8.230 nan 0.000 0.468 574 G N 1.153 109.905 108.800 -0.081 0.000 2.246 574 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.273 574 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.273 574 G C -0.167 174.716 174.900 -0.029 0.000 1.055 574 G CA 0.175 45.239 45.100 -0.060 0.000 0.851 574 G HN 0.262 nan 8.290 nan 0.000 0.500 575 L N -1.174 120.043 121.223 -0.009 0.000 2.333 575 L HA 0.917 5.256 4.340 -0.001 0.000 0.263 575 L C 0.156 177.043 176.870 0.029 0.000 1.014 575 L CA -1.095 53.764 54.840 0.032 0.000 0.820 575 L CB 2.382 44.479 42.059 0.062 0.000 1.352 575 L HN 0.270 nan 8.230 nan 0.000 0.421 576 M N 1.240 120.864 119.600 0.040 0.000 2.413 576 M HA 0.409 4.889 4.480 -0.001 0.000 0.287 576 M C -1.609 174.714 176.300 0.037 0.000 1.186 576 M CA -0.658 54.660 55.300 0.032 0.000 0.927 576 M CB 2.437 35.050 32.600 0.022 0.000 1.715 576 M HN 0.206 nan 8.290 nan 0.000 0.478 577 V N 4.287 124.220 119.914 0.032 0.000 2.470 577 V HA 0.151 4.270 4.120 -0.001 0.000 0.276 577 V C 0.173 176.282 176.094 0.025 0.000 1.040 577 V CA -0.581 61.737 62.300 0.031 0.000 1.008 577 V CB 0.553 32.393 31.823 0.029 0.000 0.990 577 V HN 0.604 nan 8.190 nan 0.000 0.477 578 V N 5.042 124.971 119.914 0.025 0.000 2.267 578 V HA 0.510 4.629 4.120 -0.001 0.000 0.254 578 V C 0.386 176.491 176.094 0.017 0.000 1.144 578 V CA -0.693 61.619 62.300 0.019 0.000 0.992 578 V CB -0.243 31.591 31.823 0.018 0.000 1.199 578 V HN 0.971 nan 8.190 nan 0.000 0.493 579 R N 4.711 125.221 120.500 0.016 0.000 2.596 579 R HA 0.875 5.214 4.340 -0.001 0.000 0.267 579 R C -1.929 174.378 176.300 0.013 0.000 1.026 579 R CA -1.298 54.811 56.100 0.016 0.000 1.087 579 R CB -0.051 30.259 30.300 0.016 0.000 1.132 579 R HN 0.583 nan 8.270 nan 0.000 0.531 580 P HA 0.000 nan 4.420 nan 0.000 0.216 580 P CA 0.000 63.106 63.100 0.010 0.000 0.800 580 P CB 0.000 31.706 31.700 0.010 0.000 0.726