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 2iop_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKGQETRGFQ SEVKQLLHLM IHSLYSNKEI FLRELISNAS DAADKLRFRA DATA SEQUENCE LSNPDLYEGD GELRVRVSFD KDKRTLTISD NGVGMTRDEV IDHLGTIAKS DATA SEQUENCE GTKSFLESLG SDQAKDSXXX GQFGVGFYSA FIVADKVTVR TRAAGEKPEN DATA SEQUENCE GVFWESAGEG EYTVADITKE DRGTEITLHL REGEDEFLDD WRVRSIISKY DATA SEQUENCE SDHIALPVEI EKREEKDGET VISWEKINKA QALWTRNKSE ITDEEYKEFY DATA SEQUENCE KHIAHDFNDP LTWSHNRVEG KQEYTSLLYI PSQAPWDMWN RDHKHGLKLY DATA SEQUENCE VQRVFIMDDA EQFMPNYLRF VRGLIDSSDL PLNVSREILQ DSTVTRNLRN DATA SEQUENCE ALTKRVLQML EKLAKDDAEK YQTFWQQFGL VLKEGPAEDF ANQEAIAKLL DATA SEQUENCE RFASTHTDSS AQTVSLEDYV SRMKEGQEKI YYITADSYAA AKSSPHLELL DATA SEQUENCE RKKGIEVLLL SDRIDEWMMN YLTEFDGKPF QSVSKVDESL EKLXXXXXXS DATA SEQUENCE AKEAEKALTP FIDRVKALLG ERVKDVRLTH RLTDTPAIVS TDADEMSTQM DATA SEQUENCE AKLFAAAGQK VPEVKYIFEL NPDHVLVKRA ADTEDEAKFS EWVELLLDQA DATA SEQUENCE LLAERGTLED PNLFIRRMNQ LLVS 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 0.000 176.264 176.300 -0.060 0.000 1.140 1 M CA 0.000 55.235 55.300 -0.109 0.000 0.988 1 M CB 0.000 32.496 32.600 -0.173 0.000 1.302 2 K N 0.113 120.499 120.400 -0.024 0.000 2.183 2 K HA 0.615 4.935 4.320 -0.000 0.000 0.274 2 K C 1.029 177.630 176.600 0.001 0.000 1.009 2 K CA 1.027 57.308 56.287 -0.010 0.000 0.888 2 K CB 1.137 33.638 32.500 0.001 0.000 1.078 2 K HN 0.607 nan 8.250 nan 0.000 0.459 3 G N 2.789 111.589 108.800 -0.001 0.000 2.171 3 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.238 3 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.238 3 G C -0.051 174.855 174.900 0.010 0.000 1.039 3 G CA 0.289 45.394 45.100 0.009 0.000 0.759 3 G HN 0.698 nan 8.290 nan 0.000 0.501 4 Q N -0.248 119.547 119.800 -0.008 0.000 2.479 4 Q HA 0.493 4.833 4.340 -0.000 0.000 0.267 4 Q C 0.088 176.085 176.000 -0.004 0.000 1.071 4 Q CA 0.652 56.447 55.803 -0.015 0.000 0.935 4 Q CB 0.423 29.133 28.738 -0.046 0.000 1.295 4 Q HN 0.526 nan 8.270 nan 0.000 0.476 5 E N 0.826 121.025 120.200 -0.002 0.000 2.481 5 E HA 0.144 4.494 4.350 -0.000 0.000 0.301 5 E C -1.810 174.759 176.600 -0.052 0.000 0.948 5 E CA -0.378 56.013 56.400 -0.014 0.000 0.804 5 E CB 1.343 31.051 29.700 0.012 0.000 1.265 5 E HN 0.692 nan 8.360 nan 0.000 0.406 6 T N 1.677 116.180 114.554 -0.086 0.000 2.770 6 T HA 0.557 4.907 4.350 -0.000 0.000 0.297 6 T C -0.114 174.462 174.700 -0.207 0.000 0.997 6 T CA -0.843 61.163 62.100 -0.157 0.000 0.949 6 T CB 0.717 69.520 68.868 -0.108 0.000 0.941 6 T HN 0.293 nan 8.240 nan 0.000 0.457 7 R N 2.209 122.451 120.500 -0.430 0.000 2.294 7 R HA 0.622 4.962 4.340 -0.000 0.000 0.319 7 R C 0.345 176.417 176.300 -0.380 0.000 0.984 7 R CA -0.846 55.014 56.100 -0.400 0.000 0.861 7 R CB 1.719 31.713 30.300 -0.511 0.000 1.104 7 R HN 0.919 nan 8.270 nan 0.000 0.451 8 G N 3.566 112.334 108.800 -0.054 0.000 4.341 8 G HA2 0.187 4.147 3.960 -0.000 0.000 0.251 8 G HA3 0.187 4.147 3.960 -0.000 0.000 0.251 8 G C -0.550 174.476 174.900 0.211 0.000 1.036 8 G CA -0.292 44.823 45.100 0.026 0.000 0.708 8 G HN 0.297 nan 8.290 nan 0.000 0.510 9 F N 0.495 120.433 119.950 -0.021 0.000 2.228 9 F HA 0.442 4.969 4.527 -0.000 0.000 0.280 9 F C 1.457 177.255 175.800 -0.004 0.000 1.235 9 F CA -0.353 57.648 58.000 0.001 0.000 1.235 9 F CB 0.467 39.485 39.000 0.029 0.000 1.506 9 F HN 0.272 nan 8.300 nan 0.000 0.502 10 Q N -1.021 118.850 119.800 0.118 0.000 3.074 10 Q HA 0.389 4.728 4.340 -0.000 0.000 0.208 10 Q C 1.487 177.511 176.000 0.040 0.000 1.163 10 Q CA 0.173 55.993 55.803 0.028 0.000 0.358 10 Q CB 0.031 28.736 28.738 -0.055 0.000 5.680 10 Q HN 0.684 nan 8.270 nan 0.000 0.297 11 S N 0.961 116.665 115.700 0.006 0.000 2.365 11 S HA -0.060 4.410 4.470 -0.000 0.000 0.194 11 S C 1.563 176.171 174.600 0.013 0.000 1.093 11 S CA 1.524 59.725 58.200 0.001 0.000 1.224 11 S CB -1.144 62.049 63.200 -0.011 0.000 0.961 11 S HN 0.509 nan 8.310 nan 0.000 0.412 12 E N 0.950 121.159 120.200 0.015 0.000 2.365 12 E HA 0.479 4.828 4.350 -0.000 0.000 0.188 12 E C 1.492 178.108 176.600 0.028 0.000 1.102 12 E CA 0.460 56.872 56.400 0.020 0.000 0.927 12 E CB -1.009 28.704 29.700 0.021 0.000 1.073 12 E HN 0.408 nan 8.360 nan 0.000 0.467 13 V N 0.974 120.911 119.914 0.039 0.000 2.283 13 V HA -0.243 3.877 4.120 -0.000 0.000 0.243 13 V C 2.551 178.662 176.094 0.028 0.000 1.039 13 V CA 2.090 64.419 62.300 0.048 0.000 1.016 13 V CB -0.197 31.689 31.823 0.104 0.000 0.650 13 V HN 0.687 nan 8.190 nan 0.000 0.449 14 K N -0.281 120.138 120.400 0.031 0.000 2.107 14 K HA -0.310 4.010 4.320 -0.000 0.000 0.211 14 K C 2.181 178.782 176.600 0.001 0.000 1.049 14 K CA 2.073 58.367 56.287 0.011 0.000 0.927 14 K CB -0.130 32.375 32.500 0.009 0.000 0.714 14 K HN 0.432 nan 8.250 nan 0.000 0.452 15 Q N 0.470 120.275 119.800 0.009 0.000 2.062 15 Q HA -0.058 4.282 4.340 -0.000 0.000 0.196 15 Q C 2.392 178.399 176.000 0.012 0.000 0.967 15 Q CA 0.993 56.803 55.803 0.012 0.000 0.832 15 Q CB -0.213 28.537 28.738 0.019 0.000 0.899 15 Q HN 0.410 nan 8.270 nan 0.000 0.442 16 L N 0.365 121.593 121.223 0.009 0.000 2.129 16 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 16 L C 2.144 178.988 176.870 -0.044 0.000 1.087 16 L CA 0.715 55.550 54.840 -0.008 0.000 0.757 16 L CB -0.359 41.697 42.059 -0.006 0.000 0.896 16 L HN 0.183 nan 8.230 nan 0.000 0.434 17 L N -0.752 120.449 121.223 -0.036 0.000 2.068 17 L HA -0.134 4.206 4.340 -0.000 0.000 0.204 17 L C 3.062 179.934 176.870 0.003 0.000 1.076 17 L CA 2.244 57.060 54.840 -0.040 0.000 0.753 17 L CB -1.656 40.373 42.059 -0.048 0.000 0.910 17 L HN 0.388 nan 8.230 nan 0.000 0.439 18 H N -0.907 118.167 119.070 0.007 0.000 2.568 18 H HA 0.040 4.596 4.556 -0.000 0.000 0.281 18 H C 1.855 177.235 175.328 0.087 0.000 1.028 18 H CA 1.489 57.552 56.048 0.026 0.000 1.199 18 H CB -0.427 29.332 29.762 -0.005 0.000 1.352 18 H HN 0.290 nan 8.280 nan 0.000 0.605 19 L N -1.046 120.212 121.223 0.058 0.000 2.296 19 L HA 0.183 4.523 4.340 -0.000 0.000 0.193 19 L C 2.426 179.309 176.870 0.022 0.000 1.123 19 L CA 1.585 56.468 54.840 0.071 0.000 0.805 19 L CB -0.545 41.532 42.059 0.030 0.000 1.004 19 L HN 0.435 nan 8.230 nan 0.000 0.478 20 M N -0.259 119.250 119.600 -0.153 0.000 2.059 20 M HA -0.165 4.314 4.480 -0.000 0.000 0.259 20 M C 2.236 178.585 176.300 0.082 0.000 1.072 20 M CA 2.135 57.305 55.300 -0.216 0.000 1.117 20 M CB -0.536 31.856 32.600 -0.347 0.000 1.320 20 M HN 0.253 nan 8.290 nan 0.000 0.408 21 I N -0.865 119.766 120.570 0.102 0.000 2.315 21 I HA -0.368 3.802 4.170 -0.000 0.000 0.251 21 I C 2.484 178.733 176.117 0.220 0.000 1.125 21 I CA 1.638 63.042 61.300 0.173 0.000 1.392 21 I CB -1.017 37.100 38.000 0.195 0.000 1.065 21 I HN 0.491 nan 8.210 nan 0.000 0.424 22 H N 0.521 119.643 119.070 0.086 0.000 2.512 22 H HA -0.035 4.521 4.556 -0.000 0.000 0.279 22 H C 2.306 177.699 175.328 0.108 0.000 0.999 22 H CA 0.717 56.815 56.048 0.085 0.000 1.283 22 H CB 0.487 30.286 29.762 0.062 0.000 1.421 22 H HN 0.226 nan 8.280 nan 0.000 0.554 23 S N 0.889 116.655 115.700 0.109 0.000 2.383 23 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 23 S C 1.952 176.641 174.600 0.148 0.000 1.030 23 S CA 0.699 58.962 58.200 0.104 0.000 1.002 23 S CB -0.135 63.210 63.200 0.243 0.000 0.829 23 S HN 0.420 nan 8.310 nan 0.000 0.467 24 L N 1.025 122.371 121.223 0.204 0.000 2.675 24 L HA -0.043 4.297 4.340 -0.000 0.000 0.238 24 L C 2.668 179.624 176.870 0.142 0.000 1.155 24 L CA 0.839 55.790 54.840 0.185 0.000 0.881 24 L CB -1.553 40.609 42.059 0.173 0.000 1.008 24 L HN 0.579 nan 8.230 nan 0.000 0.443 25 Y N -0.059 120.310 120.300 0.115 0.000 2.241 25 Y HA -0.322 4.227 4.550 -0.000 0.000 0.286 25 Y C 2.760 178.717 175.900 0.095 0.000 1.166 25 Y CA 2.030 60.203 58.100 0.122 0.000 1.203 25 Y CB -0.760 37.764 38.460 0.107 0.000 0.977 25 Y HN 0.404 nan 8.280 nan 0.000 0.529 26 S N -0.012 115.734 115.700 0.076 0.000 2.348 26 S HA -0.168 4.302 4.470 -0.000 0.000 0.221 26 S C 0.933 175.588 174.600 0.092 0.000 1.033 26 S CA 1.375 59.617 58.200 0.071 0.000 1.010 26 S CB -0.609 62.628 63.200 0.062 0.000 0.891 26 S HN 0.782 nan 8.310 nan 0.000 0.442 27 N N 1.211 119.979 118.700 0.113 0.000 2.806 27 N HA 0.153 4.893 4.740 -0.000 0.000 0.315 27 N C 0.733 176.349 175.510 0.176 0.000 1.738 27 N CA -0.158 52.973 53.050 0.135 0.000 0.993 27 N CB 0.763 39.322 38.487 0.120 0.000 1.324 27 N HN 0.540 nan 8.380 nan 0.000 0.493 28 K N 1.114 121.629 120.400 0.191 0.000 2.117 28 K HA -0.279 4.041 4.320 -0.000 0.000 0.215 28 K C 1.233 178.075 176.600 0.404 0.000 1.053 28 K CA 1.541 57.982 56.287 0.256 0.000 0.935 28 K CB -0.387 32.246 32.500 0.222 0.000 0.719 28 K HN 0.335 nan 8.250 nan 0.000 0.460 29 E N 1.469 121.930 120.200 0.436 0.000 2.284 29 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 29 E C 1.991 178.749 176.600 0.263 0.000 1.008 29 E CA 1.057 57.702 56.400 0.410 0.000 0.829 29 E CB -0.565 29.310 29.700 0.291 0.000 0.744 29 E HN 0.340 nan 8.360 nan 0.000 0.491 30 I N 2.185 122.890 120.570 0.224 0.000 2.185 30 I HA -0.289 3.881 4.170 -0.000 0.000 0.246 30 I C 2.566 178.696 176.117 0.022 0.000 1.088 30 I CA 1.374 62.732 61.300 0.097 0.000 1.347 30 I CB -1.459 36.590 38.000 0.082 0.000 1.041 30 I HN 0.219 nan 8.210 nan 0.000 0.415 31 F N 0.170 120.093 119.950 -0.045 0.000 2.287 31 F HA -0.195 4.331 4.527 -0.000 0.000 0.301 31 F C 2.109 177.827 175.800 -0.137 0.000 1.069 31 F CA 1.182 59.122 58.000 -0.100 0.000 1.372 31 F CB -0.867 38.080 39.000 -0.089 0.000 1.056 31 F HN -0.014 nan 8.300 nan 0.000 0.523 32 L N 0.105 120.728 121.223 -0.999 0.000 1.993 32 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 32 L C 2.975 179.590 176.870 -0.424 0.000 1.074 32 L CA 1.159 55.493 54.840 -0.843 0.000 0.746 32 L CB -0.765 40.949 42.059 -0.576 0.000 0.896 32 L HN 0.087 nan 8.230 nan 0.000 0.435 33 R N 0.395 120.639 120.500 -0.427 0.000 2.134 33 R HA -0.226 4.113 4.340 -0.000 0.000 0.248 33 R C 2.084 178.136 176.300 -0.414 0.000 1.143 33 R CA 1.814 57.448 56.100 -0.777 0.000 0.957 33 R CB -0.386 29.265 30.300 -1.081 0.000 0.867 33 R HN 0.375 nan 8.270 nan 0.000 0.441 34 E N 0.386 120.407 120.200 -0.298 0.000 2.047 34 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 34 E C 2.225 178.732 176.600 -0.155 0.000 0.987 34 E CA 0.900 57.188 56.400 -0.186 0.000 0.799 34 E CB -0.324 29.306 29.700 -0.117 0.000 0.752 34 E HN 0.355 nan 8.360 nan 0.000 0.449 35 L N 0.559 121.666 121.223 -0.192 0.000 2.027 35 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 35 L C 2.486 179.272 176.870 -0.140 0.000 1.074 35 L CA 0.545 55.299 54.840 -0.144 0.000 0.745 35 L CB -0.301 41.641 42.059 -0.196 0.000 0.898 35 L HN 0.144 nan 8.230 nan 0.000 0.433 36 I N -0.322 120.141 120.570 -0.179 0.000 2.151 36 I HA -0.347 3.822 4.170 -0.000 0.000 0.243 36 I C 2.857 178.909 176.117 -0.109 0.000 1.080 36 I CA 1.799 63.021 61.300 -0.130 0.000 1.339 36 I CB -1.104 36.835 38.000 -0.102 0.000 1.039 36 I HN 0.334 nan 8.210 nan 0.000 0.409 37 S N 1.660 117.282 115.700 -0.130 0.000 2.359 37 S HA -0.247 4.222 4.470 -0.000 0.000 0.222 37 S C 1.856 176.402 174.600 -0.090 0.000 1.038 37 S CA 1.999 60.132 58.200 -0.111 0.000 1.051 37 S CB -0.346 62.781 63.200 -0.123 0.000 0.944 37 S HN 0.426 nan 8.310 nan 0.000 0.433 38 N N 2.108 120.758 118.700 -0.083 0.000 2.132 38 N HA -0.111 4.629 4.740 -0.000 0.000 0.191 38 N C 1.846 177.314 175.510 -0.069 0.000 1.015 38 N CA 1.554 54.562 53.050 -0.069 0.000 0.864 38 N CB -1.024 37.437 38.487 -0.044 0.000 1.006 38 N HN 0.624 nan 8.380 nan 0.000 0.430 39 A N 0.166 122.943 122.820 -0.071 0.000 1.929 39 A HA -0.105 4.214 4.320 -0.000 0.000 0.216 39 A C 2.413 179.962 177.584 -0.059 0.000 1.176 39 A CA 1.779 53.776 52.037 -0.067 0.000 0.628 39 A CB -0.883 18.073 19.000 -0.074 0.000 0.816 39 A HN 0.374 nan 8.150 nan 0.000 0.444 40 S N 0.703 116.366 115.700 -0.062 0.000 2.398 40 S HA -0.274 4.195 4.470 -0.000 0.000 0.220 40 S C 1.650 176.220 174.600 -0.050 0.000 1.038 40 S CA 2.047 60.214 58.200 -0.055 0.000 1.080 40 S CB -0.776 62.382 63.200 -0.070 0.000 1.039 40 S HN 0.527 nan 8.310 nan 0.000 0.419 41 D N 1.994 122.357 120.400 -0.061 0.000 2.191 41 D HA -0.131 4.508 4.640 -0.000 0.000 0.195 41 D C 2.204 178.475 176.300 -0.048 0.000 1.003 41 D CA 1.508 55.472 54.000 -0.060 0.000 0.867 41 D CB -0.970 39.787 40.800 -0.071 0.000 0.926 41 D HN 0.552 nan 8.370 nan 0.000 0.450 42 A N 1.152 123.943 122.820 -0.049 0.000 1.841 42 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 42 A C 2.374 179.945 177.584 -0.022 0.000 1.199 42 A CA 2.903 54.916 52.037 -0.042 0.000 0.621 42 A CB -1.185 17.786 19.000 -0.049 0.000 0.835 42 A HN 0.267 nan 8.150 nan 0.000 0.445 43 A N -0.269 122.543 122.820 -0.014 0.000 1.849 43 A HA -0.291 4.028 4.320 -0.000 0.000 0.217 43 A C 1.859 179.463 177.584 0.032 0.000 1.202 43 A CA 2.517 54.562 52.037 0.014 0.000 0.629 43 A CB -1.203 17.806 19.000 0.015 0.000 0.834 43 A HN 0.588 nan 8.150 nan 0.000 0.447 44 D N -1.052 119.362 120.400 0.023 0.000 2.158 44 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 44 D C 1.939 178.275 176.300 0.061 0.000 0.995 44 D CA 1.901 55.927 54.000 0.043 0.000 0.846 44 D CB -0.070 40.737 40.800 0.012 0.000 0.941 44 D HN 0.492 nan 8.370 nan 0.000 0.456 45 K N -0.543 119.869 120.400 0.021 0.000 2.032 45 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 45 K C 2.018 178.657 176.600 0.065 0.000 1.048 45 K CA 1.141 57.442 56.287 0.023 0.000 0.927 45 K CB -0.403 32.085 32.500 -0.019 0.000 0.712 45 K HN 0.168 nan 8.250 nan 0.000 0.441 46 L N 1.374 122.609 121.223 0.020 0.000 2.017 46 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 46 L C 1.977 178.816 176.870 -0.050 0.000 1.073 46 L CA 1.663 56.485 54.840 -0.031 0.000 0.745 46 L CB -0.577 41.455 42.059 -0.045 0.000 0.894 46 L HN 0.135 nan 8.230 nan 0.000 0.432 47 R N -1.259 119.268 120.500 0.045 0.000 2.113 47 R HA -0.263 4.076 4.340 -0.000 0.000 0.244 47 R C 2.307 178.651 176.300 0.073 0.000 1.142 47 R CA 2.259 58.420 56.100 0.102 0.000 0.953 47 R CB -0.907 29.485 30.300 0.153 0.000 0.860 47 R HN 0.466 nan 8.270 nan 0.000 0.438 48 F N 1.688 121.622 119.950 -0.026 0.000 2.146 48 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 48 F C 2.167 177.936 175.800 -0.051 0.000 1.096 48 F CA 1.348 59.332 58.000 -0.027 0.000 1.275 48 F CB 0.079 39.064 39.000 -0.025 0.000 1.008 48 F HN -0.157 nan 8.300 nan 0.000 0.480 49 R N 0.248 120.800 120.500 0.087 0.000 2.280 49 R HA 0.058 4.397 4.340 -0.000 0.000 0.207 49 R C 1.749 177.955 176.300 -0.158 0.000 1.043 49 R CA 0.897 56.985 56.100 -0.021 0.000 1.006 49 R CB -0.825 29.479 30.300 0.007 0.000 0.885 49 R HN 0.387 nan 8.270 nan 0.000 0.467 50 A N 0.518 123.212 122.820 -0.209 0.000 2.303 50 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 50 A C 2.023 179.523 177.584 -0.141 0.000 1.205 50 A CA -0.227 51.655 52.037 -0.258 0.000 0.875 50 A CB 0.007 18.655 19.000 -0.587 0.000 0.910 50 A HN 0.090 nan 8.150 nan 0.000 0.501 51 L N 0.011 121.122 121.223 -0.186 0.000 2.189 51 L HA -0.189 4.151 4.340 -0.000 0.000 0.214 51 L C 1.975 178.743 176.870 -0.170 0.000 1.097 51 L CA 1.365 56.090 54.840 -0.193 0.000 0.764 51 L CB -0.412 41.431 42.059 -0.359 0.000 0.900 51 L HN 0.420 nan 8.230 nan 0.000 0.436 52 S N -0.969 114.620 115.700 -0.185 0.000 3.530 52 S HA 0.009 4.479 4.470 -0.000 0.000 0.180 52 S C 0.444 174.989 174.600 -0.092 0.000 0.889 52 S CA -0.536 57.586 58.200 -0.130 0.000 1.478 52 S CB -0.284 62.837 63.200 -0.131 0.000 0.612 52 S HN 0.257 nan 8.310 nan 0.000 0.615 53 N N 3.808 122.458 118.700 -0.083 0.000 2.328 53 N HA 0.035 4.775 4.740 -0.000 0.000 0.290 53 N C -2.145 173.328 175.510 -0.062 0.000 1.355 53 N CA -1.062 51.951 53.050 -0.061 0.000 1.009 53 N CB 0.346 38.799 38.487 -0.057 0.000 1.426 53 N HN 0.032 nan 8.380 nan 0.000 0.488 54 P HA -0.143 nan 4.420 nan 0.000 0.218 54 P C 0.257 177.575 177.300 0.030 0.000 1.148 54 P CA 1.153 64.259 63.100 0.010 0.000 0.822 54 P CB 0.039 31.757 31.700 0.029 0.000 0.784 55 D N -0.753 119.652 120.400 0.008 0.000 2.352 55 D HA -0.057 4.582 4.640 -0.000 0.000 0.232 55 D C 1.626 177.922 176.300 -0.007 0.000 1.055 55 D CA 0.198 54.212 54.000 0.023 0.000 0.891 55 D CB -0.558 40.250 40.800 0.013 0.000 0.897 55 D HN 0.245 nan 8.370 nan 0.000 0.529 56 L N -0.284 120.888 121.223 -0.085 0.000 2.353 56 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 56 L C 1.547 178.318 176.870 -0.165 0.000 1.133 56 L CA 0.807 55.553 54.840 -0.157 0.000 0.798 56 L CB -0.303 41.603 42.059 -0.255 0.000 0.922 56 L HN 0.027 nan 8.230 nan 0.000 0.445 57 Y N -0.098 120.199 120.300 -0.006 0.000 2.544 57 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 57 Y C 1.271 177.168 175.900 -0.006 0.000 1.141 57 Y CA -0.025 58.072 58.100 -0.005 0.000 1.299 57 Y CB -0.112 38.346 38.460 -0.003 0.000 1.030 57 Y HN 0.189 nan 8.280 nan 0.000 0.543 58 E N -0.808 119.466 120.200 0.124 0.000 2.805 58 E HA -0.332 4.018 4.350 -0.000 0.000 0.266 58 E C 1.449 178.095 176.600 0.076 0.000 1.092 58 E CA 0.414 56.859 56.400 0.075 0.000 0.781 58 E CB -1.398 28.332 29.700 0.050 0.000 1.379 58 E HN 0.695 nan 8.360 nan 0.000 0.433 59 G N 0.030 108.892 108.800 0.102 0.000 2.956 59 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.210 59 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.210 59 G C -0.327 174.591 174.900 0.029 0.000 1.316 59 G CA -0.079 45.054 45.100 0.056 0.000 0.819 59 G HN 0.267 nan 8.290 nan 0.000 0.544 60 D N 2.466 122.892 120.400 0.043 0.000 2.382 60 D HA 0.436 5.076 4.640 -0.000 0.000 0.259 60 D C 1.332 177.609 176.300 -0.039 0.000 1.224 60 D CA 0.713 54.716 54.000 0.005 0.000 0.894 60 D CB 0.975 41.787 40.800 0.020 0.000 1.127 60 D HN 0.450 nan 8.370 nan 0.000 0.487 61 G N 1.732 110.462 108.800 -0.116 0.000 2.417 61 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.212 61 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.212 61 G C 0.706 175.511 174.900 -0.157 0.000 1.187 61 G CA 0.302 45.256 45.100 -0.243 0.000 0.804 61 G HN 0.654 nan 8.290 nan 0.000 0.534 62 E N 0.649 120.796 120.200 -0.088 0.000 2.328 62 E HA 0.520 4.869 4.350 -0.000 0.000 0.265 62 E C -0.315 176.263 176.600 -0.037 0.000 1.057 62 E CA -0.206 56.159 56.400 -0.059 0.000 0.916 62 E CB -0.021 29.648 29.700 -0.051 0.000 0.993 62 E HN 0.352 nan 8.360 nan 0.000 0.446 63 L N 3.769 124.981 121.223 -0.018 0.000 2.264 63 L HA 0.641 4.981 4.340 -0.000 0.000 0.289 63 L C 0.458 177.311 176.870 -0.029 0.000 1.044 63 L CA -0.885 53.954 54.840 -0.002 0.000 0.807 63 L CB 0.864 42.948 42.059 0.041 0.000 1.192 63 L HN 0.788 nan 8.230 nan 0.000 0.425 64 R N 3.561 124.026 120.500 -0.058 0.000 2.680 64 R HA 0.561 4.901 4.340 -0.000 0.000 0.269 64 R C -2.157 174.075 176.300 -0.113 0.000 1.026 64 R CA -0.729 55.320 56.100 -0.085 0.000 0.889 64 R CB 1.454 31.685 30.300 -0.116 0.000 1.241 64 R HN 0.296 nan 8.270 nan 0.000 0.463 65 V N 2.897 122.744 119.914 -0.112 0.000 2.417 65 V HA 0.605 4.725 4.120 -0.000 0.000 0.291 65 V C -0.551 175.443 176.094 -0.165 0.000 1.024 65 V CA -0.803 61.419 62.300 -0.129 0.000 0.861 65 V CB 1.302 33.067 31.823 -0.097 0.000 0.985 65 V HN 0.720 nan 8.190 nan 0.000 0.436 66 R N 4.946 125.310 120.500 -0.227 0.000 2.393 66 R HA 0.598 4.938 4.340 -0.000 0.000 0.315 66 R C -1.347 174.846 176.300 -0.178 0.000 0.952 66 R CA -0.650 55.267 56.100 -0.305 0.000 0.842 66 R CB 2.164 32.051 30.300 -0.687 0.000 1.163 66 R HN 0.573 nan 8.270 nan 0.000 0.450 67 V N 3.358 123.229 119.914 -0.073 0.000 2.364 67 V HA 0.244 4.364 4.120 -0.000 0.000 0.272 67 V C 0.242 176.269 176.094 -0.111 0.000 1.036 67 V CA -0.288 61.926 62.300 -0.143 0.000 0.880 67 V CB 1.066 32.784 31.823 -0.175 0.000 0.991 67 V HN 0.922 nan 8.190 nan 0.000 0.460 68 S N 4.570 120.132 115.700 -0.231 0.000 2.715 68 S HA 0.921 5.391 4.470 -0.000 0.000 0.307 68 S C -0.978 173.297 174.600 -0.542 0.000 1.119 68 S CA -0.708 57.402 58.200 -0.149 0.000 0.937 68 S CB 2.065 65.408 63.200 0.237 0.000 1.150 68 S HN 0.277 nan 8.310 nan 0.000 0.521 69 F N -0.250 119.760 119.950 0.100 0.000 2.691 69 F HA 0.731 5.258 4.527 -0.000 0.000 0.334 69 F C -0.783 175.045 175.800 0.047 0.000 1.107 69 F CA -0.784 57.258 58.000 0.069 0.000 0.991 69 F CB 1.481 40.517 39.000 0.060 0.000 1.400 69 F HN 0.659 nan 8.300 nan 0.000 0.503 70 D N -0.495 120.056 120.400 0.251 0.000 2.354 70 D HA 0.288 4.928 4.640 -0.000 0.000 0.230 70 D C 0.144 176.504 176.300 0.099 0.000 1.361 70 D CA -0.143 53.938 54.000 0.136 0.000 0.992 70 D CB 1.271 42.118 40.800 0.078 0.000 1.409 70 D HN 0.599 nan 8.370 nan 0.000 0.573 71 K N 2.210 122.656 120.400 0.077 0.000 2.504 71 K HA -0.042 4.278 4.320 -0.000 0.000 0.195 71 K C 1.024 177.638 176.600 0.023 0.000 1.036 71 K CA 1.149 57.459 56.287 0.040 0.000 0.984 71 K CB -0.359 32.147 32.500 0.011 0.000 0.788 71 K HN 0.500 nan 8.250 nan 0.000 0.488 72 D N 0.373 120.788 120.400 0.025 0.000 2.119 72 D HA -0.007 4.633 4.640 -0.000 0.000 0.231 72 D C 2.355 178.657 176.300 0.002 0.000 0.999 72 D CA 1.789 55.798 54.000 0.016 0.000 0.915 72 D CB -0.196 40.617 40.800 0.021 0.000 1.017 72 D HN 0.380 nan 8.370 nan 0.000 0.437 73 K N 1.095 121.492 120.400 -0.005 0.000 2.574 73 K HA -0.052 4.268 4.320 -0.000 0.000 0.193 73 K C 0.732 177.252 176.600 -0.133 0.000 1.035 73 K CA 0.338 56.599 56.287 -0.043 0.000 0.982 73 K CB -0.889 31.596 32.500 -0.024 0.000 0.795 73 K HN 0.283 nan 8.250 nan 0.000 0.491 74 R N 0.569 121.026 120.500 -0.071 0.000 3.209 74 R HA -0.112 4.228 4.340 -0.000 0.000 0.252 74 R C -0.370 175.856 176.300 -0.123 0.000 0.958 74 R CA 0.861 56.916 56.100 -0.074 0.000 0.651 74 R CB -2.810 27.435 30.300 -0.092 0.000 1.142 74 R HN 0.762 nan 8.270 nan 0.000 0.441 75 T N -2.024 112.505 114.554 -0.042 0.000 2.888 75 T HA 0.667 5.016 4.350 -0.000 0.000 0.284 75 T C -0.060 174.680 174.700 0.067 0.000 1.017 75 T CA -1.085 61.004 62.100 -0.019 0.000 1.022 75 T CB 2.509 71.368 68.868 -0.016 0.000 1.013 75 T HN 0.226 nan 8.240 nan 0.000 0.465 76 L N 2.204 123.459 121.223 0.054 0.000 2.316 76 L HA 0.560 4.899 4.340 -0.000 0.000 0.280 76 L C -0.591 176.254 176.870 -0.042 0.000 1.006 76 L CA -0.176 54.674 54.840 0.016 0.000 0.836 76 L CB 1.558 43.686 42.059 0.115 0.000 1.221 76 L HN 0.888 nan 8.230 nan 0.000 0.418 77 T N 6.450 120.938 114.554 -0.110 0.000 2.801 77 T HA 0.512 4.862 4.350 -0.000 0.000 0.306 77 T C 0.049 174.680 174.700 -0.115 0.000 1.020 77 T CA -0.127 61.929 62.100 -0.074 0.000 0.948 77 T CB 0.267 69.118 68.868 -0.029 0.000 0.962 77 T HN 0.354 nan 8.240 nan 0.000 0.465 78 I N 3.730 124.241 120.570 -0.098 0.000 2.353 78 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 78 I C 0.399 176.462 176.117 -0.091 0.000 0.992 78 I CA -0.422 60.810 61.300 -0.114 0.000 1.268 78 I CB 1.130 39.057 38.000 -0.120 0.000 1.387 78 I HN 0.613 nan 8.210 nan 0.000 0.478 79 S N 3.330 118.964 115.700 -0.111 0.000 2.548 79 S HA 0.684 5.154 4.470 -0.000 0.000 0.276 79 S C -1.284 173.243 174.600 -0.121 0.000 1.129 79 S CA -1.047 57.092 58.200 -0.102 0.000 0.931 79 S CB 2.148 65.290 63.200 -0.098 0.000 1.068 79 S HN 0.652 nan 8.310 nan 0.000 0.480 80 D N -0.371 119.971 120.400 -0.097 0.000 2.527 80 D HA 0.384 5.024 4.640 -0.000 0.000 0.233 80 D C -0.236 176.019 176.300 -0.074 0.000 1.063 80 D CA -0.902 53.043 54.000 -0.092 0.000 0.880 80 D CB 0.769 41.523 40.800 -0.076 0.000 1.457 80 D HN 0.386 nan 8.370 nan 0.000 0.475 81 N N 0.876 119.536 118.700 -0.067 0.000 2.466 81 N HA 0.171 4.911 4.740 -0.000 0.000 0.251 81 N C 0.627 176.126 175.510 -0.017 0.000 1.164 81 N CA -0.555 52.471 53.050 -0.039 0.000 0.888 81 N CB 0.183 38.650 38.487 -0.034 0.000 1.177 81 N HN 0.531 nan 8.380 nan 0.000 0.498 82 G N -0.061 108.721 108.800 -0.029 0.000 2.481 82 G HA2 0.048 4.007 3.960 -0.000 0.000 0.251 82 G HA3 0.048 4.007 3.960 -0.000 0.000 0.251 82 G C 0.838 175.725 174.900 -0.022 0.000 1.492 82 G CA 0.029 45.117 45.100 -0.021 0.000 1.060 82 G HN 0.138 nan 8.290 nan 0.000 0.553 83 V N -0.123 119.773 119.914 -0.031 0.000 2.788 83 V HA 0.412 4.532 4.120 -0.000 0.000 0.251 83 V C 1.422 177.490 176.094 -0.044 0.000 1.068 83 V CA 2.044 64.321 62.300 -0.038 0.000 1.090 83 V CB -1.122 30.679 31.823 -0.037 0.000 0.710 83 V HN 2.028 nan 8.190 nan 0.000 0.467 84 G N 0.313 109.083 108.800 -0.051 0.000 2.846 84 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.660 84 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.660 84 G C -0.649 174.208 174.900 -0.071 0.000 1.464 84 G CA 0.116 45.179 45.100 -0.061 0.000 0.891 84 G HN 0.549 nan 8.290 nan 0.000 0.552 85 M N 0.807 120.354 119.600 -0.089 0.000 2.528 85 M HA 0.614 5.094 4.480 -0.000 0.000 0.318 85 M C 1.205 177.453 176.300 -0.087 0.000 1.195 85 M CA -0.096 55.139 55.300 -0.108 0.000 1.000 85 M CB 1.999 34.501 32.600 -0.163 0.000 1.615 85 M HN 1.072 nan 8.290 nan 0.000 0.469 86 T N -2.147 112.352 114.554 -0.093 0.000 2.867 86 T HA 0.378 4.727 4.350 -0.000 0.000 0.286 86 T C 0.996 175.653 174.700 -0.072 0.000 1.022 86 T CA -0.514 61.546 62.100 -0.067 0.000 0.933 86 T CB 0.935 69.767 68.868 -0.061 0.000 1.280 86 T HN 0.764 nan 8.240 nan 0.000 0.566 87 R N 0.081 120.558 120.500 -0.038 0.000 2.062 87 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 87 R C 1.902 178.178 176.300 -0.040 0.000 1.136 87 R CA 1.852 57.945 56.100 -0.013 0.000 0.948 87 R CB -0.637 29.675 30.300 0.021 0.000 0.845 87 R HN 0.732 nan 8.270 nan 0.000 0.430 88 D N 0.703 121.070 120.400 -0.054 0.000 2.092 88 D HA -0.198 4.441 4.640 -0.000 0.000 0.193 88 D C 1.774 177.970 176.300 -0.173 0.000 0.994 88 D CA 1.521 55.474 54.000 -0.078 0.000 0.828 88 D CB -0.235 40.524 40.800 -0.068 0.000 0.963 88 D HN 0.436 nan 8.370 nan 0.000 0.450 89 E N 0.756 120.816 120.200 -0.233 0.000 2.048 89 E HA -0.174 4.176 4.350 -0.000 0.000 0.202 89 E C 2.479 178.794 176.600 -0.475 0.000 1.021 89 E CA 0.925 57.062 56.400 -0.438 0.000 0.825 89 E CB -0.387 29.114 29.700 -0.332 0.000 0.756 89 E HN 0.111 nan 8.360 nan 0.000 0.454 90 V N 2.564 122.294 119.914 -0.307 0.000 2.220 90 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 90 V C 2.632 178.529 176.094 -0.328 0.000 1.056 90 V CA 2.414 64.517 62.300 -0.329 0.000 1.016 90 V CB -0.797 30.913 31.823 -0.187 0.000 0.639 90 V HN 0.405 nan 8.190 nan 0.000 0.446 91 I N -1.805 118.671 120.570 -0.157 0.000 2.700 91 I HA -0.162 4.008 4.170 -0.000 0.000 0.261 91 I C 2.006 178.067 176.117 -0.094 0.000 1.219 91 I CA 2.250 63.514 61.300 -0.060 0.000 1.463 91 I CB -0.528 37.542 38.000 0.116 0.000 1.092 91 I HN 0.359 nan 8.210 nan 0.000 0.452 92 D N -0.315 119.986 120.400 -0.165 0.000 2.367 92 D HA -0.089 4.551 4.640 -0.000 0.000 0.207 92 D C 1.469 177.794 176.300 0.042 0.000 1.034 92 D CA 0.570 54.511 54.000 -0.099 0.000 0.861 92 D CB 0.290 40.995 40.800 -0.159 0.000 0.943 92 D HN 0.467 nan 8.370 nan 0.000 0.515 93 H N -0.060 118.886 119.070 -0.207 0.000 2.398 93 H HA 0.222 4.778 4.556 -0.000 0.000 0.279 93 H C 2.213 177.355 175.328 -0.309 0.000 1.114 93 H CA 0.130 56.036 56.048 -0.237 0.000 1.609 93 H CB -0.567 29.023 29.762 -0.287 0.000 1.460 93 H HN -0.066 nan 8.280 nan 0.000 0.608 94 L N 0.531 121.479 121.223 -0.459 0.000 2.129 94 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 94 L C 2.488 179.076 176.870 -0.470 0.000 1.087 94 L CA 1.418 55.717 54.840 -0.901 0.000 0.757 94 L CB -0.895 40.084 42.059 -1.799 0.000 0.896 94 L HN 0.372 nan 8.230 nan 0.000 0.434 95 G N -1.076 107.473 108.800 -0.419 0.000 2.440 95 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.218 95 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.218 95 G C 1.593 176.503 174.900 0.017 0.000 1.154 95 G CA 1.450 46.311 45.100 -0.398 0.000 0.767 95 G HN 0.395 nan 8.290 nan 0.000 0.552 96 T N -1.970 112.604 114.554 0.033 0.000 3.356 96 T HA 0.418 4.768 4.350 -0.000 0.000 0.220 96 T C 1.498 176.167 174.700 -0.052 0.000 0.963 96 T CA 1.698 63.811 62.100 0.020 0.000 1.540 96 T CB 0.057 68.924 68.868 -0.002 0.000 1.320 96 T HN 0.328 nan 8.240 nan 0.000 0.448 97 I N -1.600 118.949 120.570 -0.035 0.000 1.779 97 I HA 0.432 4.601 4.170 -0.000 0.000 0.293 97 I C -1.700 174.428 176.117 0.018 0.000 0.681 97 I CA 0.180 61.385 61.300 -0.159 0.000 2.765 97 I CB -0.173 37.584 38.000 -0.405 0.000 1.838 97 I HN 0.509 nan 8.210 nan 0.000 0.469 98 A N 0.790 123.589 122.820 -0.035 0.000 2.475 98 A HA 0.554 4.874 4.320 -0.000 0.000 0.300 98 A C 0.099 177.672 177.584 -0.018 0.000 1.089 98 A CA 0.330 52.355 52.037 -0.019 0.000 0.948 98 A CB 0.508 19.506 19.000 -0.004 0.000 1.508 98 A HN 0.511 nan 8.150 nan 0.000 0.385 99 K N 0.789 121.175 120.400 -0.023 0.000 2.032 99 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 99 K C 2.271 178.883 176.600 0.020 0.000 1.048 99 K CA 2.826 59.112 56.287 -0.002 0.000 0.927 99 K CB -0.912 31.580 32.500 -0.013 0.000 0.712 99 K HN 1.883 nan 8.250 nan 0.000 0.441 100 S N -0.152 115.550 115.700 0.004 0.000 2.368 100 S HA 0.049 4.518 4.470 -0.000 0.000 0.224 100 S C 2.394 177.028 174.600 0.058 0.000 1.029 100 S CA 1.155 59.368 58.200 0.022 0.000 0.988 100 S CB -0.902 62.292 63.200 -0.010 0.000 0.838 100 S HN 0.759 nan 8.310 nan 0.000 0.462 101 G N 2.381 111.189 108.800 0.013 0.000 2.739 101 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.216 101 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.216 101 G C 1.784 176.848 174.900 0.272 0.000 1.298 101 G CA 2.740 47.860 45.100 0.032 0.000 0.804 101 G HN 0.764 nan 8.290 nan 0.000 0.623 102 T N -0.614 114.043 114.554 0.173 0.000 2.685 102 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 102 T C 2.129 176.988 174.700 0.266 0.000 1.034 102 T CA 2.213 64.435 62.100 0.202 0.000 1.149 102 T CB -0.366 68.558 68.868 0.094 0.000 0.860 102 T HN 0.337 nan 8.240 nan 0.000 0.449 103 K N 0.554 121.065 120.400 0.185 0.000 1.978 103 K HA -0.079 4.241 4.320 -0.000 0.000 0.214 103 K C 2.735 179.440 176.600 0.176 0.000 1.049 103 K CA 1.852 58.227 56.287 0.146 0.000 0.939 103 K CB -0.654 31.903 32.500 0.096 0.000 0.721 103 K HN 0.417 nan 8.250 nan 0.000 0.441 104 S N 0.378 116.211 115.700 0.222 0.000 2.447 104 S HA -0.101 4.368 4.470 -0.000 0.000 0.233 104 S C 1.458 176.196 174.600 0.229 0.000 1.006 104 S CA 0.757 59.088 58.200 0.218 0.000 0.957 104 S CB -0.282 63.071 63.200 0.254 0.000 0.773 104 S HN 0.337 nan 8.310 nan 0.000 0.507 105 F N 2.113 122.168 119.950 0.176 0.000 2.113 105 F HA -0.044 4.483 4.527 -0.000 0.000 0.297 105 F C 1.829 177.579 175.800 -0.082 0.000 1.103 105 F CA 1.293 59.224 58.000 -0.114 0.000 1.248 105 F CB -0.227 38.745 39.000 -0.046 0.000 0.999 105 F HN 0.095 nan 8.300 nan 0.000 0.475 106 L N 0.451 121.769 121.223 0.159 0.000 1.994 106 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 106 L C 2.545 179.382 176.870 -0.055 0.000 1.071 106 L CA 2.170 57.043 54.840 0.055 0.000 0.745 106 L CB -1.083 41.046 42.059 0.116 0.000 0.892 106 L HN 0.337 nan 8.230 nan 0.000 0.431 107 E N -0.995 119.193 120.200 -0.020 0.000 2.418 107 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 107 E C 2.042 178.592 176.600 -0.083 0.000 1.026 107 E CA 1.071 57.450 56.400 -0.035 0.000 0.862 107 E CB -0.005 29.694 29.700 -0.001 0.000 0.799 107 E HN 0.227 nan 8.360 nan 0.000 0.518 108 S N 0.156 115.767 115.700 -0.148 0.000 2.406 108 S HA 0.046 4.515 4.470 -0.000 0.000 0.228 108 S C 1.010 175.449 174.600 -0.267 0.000 1.020 108 S CA -0.164 57.907 58.200 -0.216 0.000 0.965 108 S CB -0.298 62.712 63.200 -0.317 0.000 0.798 108 S HN 0.274 nan 8.310 nan 0.000 0.488 109 L N 1.371 122.404 121.223 -0.318 0.000 2.540 109 L HA 0.211 4.551 4.340 -0.000 0.000 0.276 109 L C 1.542 178.305 176.870 -0.178 0.000 1.212 109 L CA 0.732 55.387 54.840 -0.309 0.000 0.893 109 L CB 0.288 42.193 42.059 -0.257 0.000 1.138 109 L HN 0.500 nan 8.230 nan 0.000 0.491 110 G N 1.445 110.149 108.800 -0.159 0.000 2.176 110 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.253 110 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.253 110 G C 0.309 175.157 174.900 -0.086 0.000 0.979 110 G CA 0.132 45.172 45.100 -0.101 0.000 0.641 110 G HN 0.970 nan 8.290 nan 0.000 0.530 111 S N 0.194 115.833 115.700 -0.102 0.000 2.617 111 S HA 0.626 5.096 4.470 -0.000 0.000 0.283 111 S C 1.034 175.590 174.600 -0.074 0.000 1.189 111 S CA 0.334 58.486 58.200 -0.079 0.000 1.036 111 S CB 0.712 63.865 63.200 -0.079 0.000 1.014 111 S HN 0.111 nan 8.310 nan 0.000 0.522 112 D N 1.339 121.707 120.400 -0.054 0.000 2.154 112 D HA -0.234 4.405 4.640 -0.000 0.000 0.190 112 D C 2.215 178.484 176.300 -0.050 0.000 1.003 112 D CA 1.996 55.969 54.000 -0.045 0.000 0.849 112 D CB -0.091 40.689 40.800 -0.033 0.000 0.942 112 D HN 0.822 nan 8.370 nan 0.000 0.446 113 Q N 1.545 121.314 119.800 -0.052 0.000 2.012 113 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 113 Q C 2.307 178.260 176.000 -0.078 0.000 1.009 113 Q CA 2.018 57.788 55.803 -0.054 0.000 0.866 113 Q CB -0.963 27.744 28.738 -0.052 0.000 0.945 113 Q HN 0.248 nan 8.270 nan 0.000 0.414 114 A N 2.167 124.918 122.820 -0.116 0.000 1.849 114 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 114 A C 2.586 180.093 177.584 -0.128 0.000 1.202 114 A CA 3.684 55.618 52.037 -0.171 0.000 0.629 114 A CB -1.340 17.518 19.000 -0.238 0.000 0.834 114 A HN 0.641 nan 8.150 nan 0.000 0.447 115 K N 0.732 121.071 120.400 -0.101 0.000 1.978 115 K HA -0.141 4.179 4.320 -0.000 0.000 0.214 115 K C 0.849 177.418 176.600 -0.052 0.000 1.049 115 K CA 1.679 57.923 56.287 -0.073 0.000 0.939 115 K CB -1.235 31.231 32.500 -0.058 0.000 0.721 115 K HN 0.824 nan 8.250 nan 0.000 0.441 116 D N 0.099 120.473 120.400 -0.043 0.000 2.564 116 D HA 0.385 5.024 4.640 -0.000 0.000 0.226 116 D C -0.506 175.778 176.300 -0.026 0.000 1.149 116 D CA -0.007 53.976 54.000 -0.029 0.000 0.994 116 D CB 0.537 41.324 40.800 -0.023 0.000 1.029 116 D HN 0.241 nan 8.370 nan 0.000 0.517 122 Q N 0.338 120.206 119.800 0.113 0.000 2.318 122 Q HA 0.592 4.932 4.340 -0.000 0.000 0.270 122 Q C -0.499 175.668 176.000 0.278 0.000 1.237 122 Q CA 0.320 56.208 55.803 0.142 0.000 0.937 122 Q CB -0.557 28.234 28.738 0.088 0.000 1.375 122 Q HN 1.100 nan 8.270 nan 0.000 0.452 123 F N -0.295 119.692 119.950 0.061 0.000 2.878 123 F HA 0.625 5.152 4.527 -0.000 0.000 0.322 123 F C -0.486 175.356 175.800 0.071 0.000 1.154 123 F CA -0.599 57.452 58.000 0.085 0.000 0.896 123 F CB 1.148 40.228 39.000 0.134 0.000 1.313 123 F HN 0.562 nan 8.300 nan 0.000 0.451 124 G N 2.350 110.707 108.800 -0.739 0.000 2.738 124 G HA2 0.703 4.662 3.960 -0.000 0.000 0.281 124 G HA3 0.703 4.662 3.960 -0.000 0.000 0.281 124 G C -0.930 173.442 174.900 -0.879 0.000 1.527 124 G CA 0.109 44.843 45.100 -0.611 0.000 1.132 124 G HN 1.069 nan 8.290 nan 0.000 0.569 125 V N 2.013 121.525 119.914 -0.671 0.000 3.751 125 V HA 0.869 4.989 4.120 -0.000 0.000 0.279 125 V C 1.218 177.217 176.094 -0.158 0.000 1.010 125 V CA 0.580 62.678 62.300 -0.337 0.000 1.015 125 V CB 0.502 32.267 31.823 -0.097 0.000 1.240 125 V HN 0.920 nan 8.190 nan 0.000 0.438 126 G N -2.199 106.590 108.800 -0.019 0.000 3.341 126 G HA2 0.337 4.297 3.960 -0.000 0.000 0.177 126 G HA3 0.337 4.297 3.960 -0.000 0.000 0.177 126 G C 0.699 175.667 174.900 0.113 0.000 1.236 126 G CA 0.753 45.873 45.100 0.034 0.000 0.888 126 G HN 0.942 nan 8.290 nan 0.000 0.644 127 F N 0.153 120.116 119.950 0.021 0.000 2.115 127 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 127 F C 2.328 178.152 175.800 0.040 0.000 1.092 127 F CA 1.835 59.825 58.000 -0.016 0.000 1.245 127 F CB -0.291 38.658 39.000 -0.084 0.000 0.995 127 F HN 0.245 nan 8.300 nan 0.000 0.481 128 Y N 0.915 121.244 120.300 0.048 0.000 2.651 128 Y HA -0.180 4.370 4.550 -0.000 0.000 0.296 128 Y C 2.866 178.806 175.900 0.067 0.000 1.150 128 Y CA 1.082 59.262 58.100 0.134 0.000 1.348 128 Y CB -1.096 37.551 38.460 0.312 0.000 0.983 128 Y HN 0.316 nan 8.280 nan 0.000 0.555 129 S N -0.024 115.730 115.700 0.091 0.000 2.392 129 S HA -0.350 4.120 4.470 -0.000 0.000 0.232 129 S C 2.378 176.983 174.600 0.008 0.000 1.041 129 S CA 1.150 59.396 58.200 0.076 0.000 1.026 129 S CB -0.737 62.501 63.200 0.063 0.000 0.845 129 S HN 0.426 nan 8.310 nan 0.000 0.465 130 A N 1.056 123.751 122.820 -0.209 0.000 1.958 130 A HA -0.031 4.289 4.320 -0.000 0.000 0.221 130 A C 1.847 179.211 177.584 -0.368 0.000 1.178 130 A CA 1.662 53.488 52.037 -0.351 0.000 0.642 130 A CB -1.291 17.275 19.000 -0.723 0.000 0.816 130 A HN 0.682 nan 8.150 nan 0.000 0.453 131 F N -0.801 119.083 119.950 -0.108 0.000 2.771 131 F HA 0.094 4.621 4.527 -0.000 0.000 0.299 131 F C 1.718 177.501 175.800 -0.028 0.000 1.177 131 F CA 0.428 58.401 58.000 -0.044 0.000 1.450 131 F CB -0.160 38.862 39.000 0.038 0.000 1.114 131 F HN 0.265 nan 8.300 nan 0.000 0.587 132 I N 0.138 120.758 120.570 0.082 0.000 2.876 132 I HA -0.114 4.056 4.170 -0.000 0.000 0.264 132 I C 1.538 177.648 176.117 -0.012 0.000 1.204 132 I CA 0.926 62.269 61.300 0.071 0.000 1.485 132 I CB 0.210 38.267 38.000 0.094 0.000 1.103 132 I HN 0.063 nan 8.210 nan 0.000 0.446 133 V N -2.564 117.269 119.914 -0.134 0.000 3.451 133 V HA 0.556 4.675 4.120 -0.000 0.000 0.288 133 V C 0.705 176.722 176.094 -0.127 0.000 1.502 133 V CA -0.003 62.199 62.300 -0.164 0.000 1.026 133 V CB -0.487 31.171 31.823 -0.274 0.000 0.840 133 V HN 0.138 nan 8.190 nan 0.000 0.437 134 A N 1.800 124.547 122.820 -0.122 0.000 2.311 134 A HA 0.720 5.040 4.320 -0.000 0.000 0.334 134 A C 0.409 178.052 177.584 0.098 0.000 1.139 134 A CA 0.295 52.308 52.037 -0.041 0.000 0.830 134 A CB 1.120 20.016 19.000 -0.173 0.000 1.234 134 A HN 0.453 nan 8.150 nan 0.000 0.483 135 D N -0.473 120.002 120.400 0.124 0.000 2.503 135 D HA 0.159 4.798 4.640 -0.000 0.000 0.218 135 D C -0.122 176.257 176.300 0.131 0.000 1.183 135 D CA 0.089 54.174 54.000 0.141 0.000 0.827 135 D CB 0.185 41.012 40.800 0.045 0.000 1.034 135 D HN 0.358 nan 8.370 nan 0.000 0.510 136 K N 0.707 121.188 120.400 0.135 0.000 2.651 136 K HA 0.362 4.682 4.320 -0.000 0.000 0.259 136 K C -1.990 174.673 176.600 0.106 0.000 1.017 136 K CA -0.522 55.847 56.287 0.138 0.000 0.897 136 K CB 2.227 34.731 32.500 0.006 0.000 1.262 136 K HN -0.178 nan 8.250 nan 0.000 0.460 137 V N 3.311 123.283 119.914 0.098 0.000 2.394 137 V HA 0.441 4.561 4.120 -0.000 0.000 0.282 137 V C -0.450 175.716 176.094 0.119 0.000 1.031 137 V CA -0.370 61.916 62.300 -0.023 0.000 0.881 137 V CB 1.745 33.365 31.823 -0.338 0.000 0.982 137 V HN 0.787 nan 8.190 nan 0.000 0.451 138 T N 4.705 119.297 114.554 0.063 0.000 2.912 138 T HA 0.419 4.768 4.350 -0.000 0.000 0.326 138 T C -0.387 174.264 174.700 -0.082 0.000 1.080 138 T CA -0.301 61.772 62.100 -0.045 0.000 1.000 138 T CB 1.154 69.994 68.868 -0.046 0.000 1.008 138 T HN 0.308 nan 8.240 nan 0.000 0.473 139 V N 5.338 125.215 119.914 -0.061 0.000 2.383 139 V HA 0.485 4.604 4.120 -0.000 0.000 0.275 139 V C 0.268 176.243 176.094 -0.198 0.000 1.036 139 V CA -0.846 61.423 62.300 -0.052 0.000 0.889 139 V CB 0.891 32.740 31.823 0.044 0.000 0.985 139 V HN 0.700 nan 8.190 nan 0.000 0.459 140 R N 2.916 123.342 120.500 -0.123 0.000 2.494 140 R HA 0.807 5.146 4.340 -0.000 0.000 0.305 140 R C -0.530 175.753 176.300 -0.027 0.000 0.959 140 R CA -0.499 55.568 56.100 -0.055 0.000 0.864 140 R CB 2.108 32.407 30.300 -0.002 0.000 1.159 140 R HN 0.664 nan 8.270 nan 0.000 0.446 141 T N 1.328 115.877 114.554 -0.008 0.000 2.885 141 T HA 0.400 4.749 4.350 -0.000 0.000 0.322 141 T C -1.762 172.933 174.700 -0.008 0.000 1.387 141 T CA -0.812 61.274 62.100 -0.024 0.000 1.041 141 T CB 1.625 70.456 68.868 -0.062 0.000 1.287 141 T HN 0.564 nan 8.240 nan 0.000 0.491 142 R N 2.099 122.589 120.500 -0.016 0.000 2.626 142 R HA 0.758 5.097 4.340 -0.000 0.000 0.274 142 R C -1.714 174.572 176.300 -0.023 0.000 1.031 142 R CA -0.481 55.612 56.100 -0.012 0.000 0.898 142 R CB 1.709 32.010 30.300 0.003 0.000 1.222 142 R HN 0.787 nan 8.270 nan 0.000 0.455 143 A N 2.619 125.423 122.820 -0.027 0.000 2.305 143 A HA 0.695 5.014 4.320 -0.000 0.000 0.322 143 A C -0.046 177.520 177.584 -0.030 0.000 1.187 143 A CA -0.171 51.846 52.037 -0.035 0.000 0.825 143 A CB 1.066 20.041 19.000 -0.043 0.000 1.164 143 A HN 0.921 nan 8.150 nan 0.000 0.498 144 A N 1.072 123.871 122.820 -0.036 0.000 2.587 144 A HA 0.434 4.754 4.320 -0.000 0.000 0.235 144 A C 1.687 179.250 177.584 -0.036 0.000 1.044 144 A CA 1.259 53.273 52.037 -0.039 0.000 0.754 144 A CB -0.651 18.312 19.000 -0.062 0.000 0.968 144 A HN 2.804 nan 8.150 nan 0.000 0.509 145 G N 1.005 109.787 108.800 -0.029 0.000 2.579 145 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.222 145 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.222 145 G C 0.232 175.122 174.900 -0.016 0.000 1.201 145 G CA 0.278 45.363 45.100 -0.025 0.000 0.710 145 G HN 0.915 nan 8.290 nan 0.000 0.516 146 E N 2.241 122.432 120.200 -0.015 0.000 2.414 146 E HA 0.246 4.596 4.350 -0.000 0.000 0.263 146 E C 0.422 177.020 176.600 -0.003 0.000 1.000 146 E CA 0.100 56.495 56.400 -0.009 0.000 0.914 146 E CB 0.567 30.260 29.700 -0.010 0.000 0.948 146 E HN 0.507 nan 8.360 nan 0.000 0.444 147 K N 3.596 123.996 120.400 0.000 0.000 2.527 147 K HA -0.039 4.281 4.320 -0.000 0.000 0.278 147 K C -1.629 174.976 176.600 0.008 0.000 0.981 147 K CA -0.911 55.379 56.287 0.005 0.000 1.009 147 K CB 0.057 32.560 32.500 0.006 0.000 0.895 147 K HN 0.195 nan 8.250 nan 0.000 0.493 148 P HA -0.163 nan 4.420 nan 0.000 0.226 148 P C -0.079 177.233 177.300 0.020 0.000 1.146 148 P CA 1.169 64.278 63.100 0.014 0.000 0.773 148 P CB 0.248 31.958 31.700 0.016 0.000 0.772 149 E N -1.161 119.050 120.200 0.019 0.000 2.371 149 E HA -0.013 4.336 4.350 -0.000 0.000 0.194 149 E C 0.855 177.471 176.600 0.026 0.000 1.012 149 E CA 0.372 56.786 56.400 0.023 0.000 0.860 149 E CB -0.666 29.045 29.700 0.019 0.000 0.811 149 E HN 0.277 nan 8.360 nan 0.000 0.502 150 N N 1.413 120.125 118.700 0.021 0.000 2.416 150 N HA 0.045 4.785 4.740 -0.000 0.000 0.215 150 N C 0.398 175.924 175.510 0.026 0.000 1.208 150 N CA 0.278 53.340 53.050 0.021 0.000 0.834 150 N CB 0.163 38.656 38.487 0.010 0.000 1.072 150 N HN 0.084 nan 8.380 nan 0.000 0.472 151 G N -0.013 108.809 108.800 0.037 0.000 2.699 151 G HA2 0.337 4.297 3.960 -0.000 0.000 0.246 151 G HA3 0.337 4.297 3.960 -0.000 0.000 0.246 151 G C -0.187 174.757 174.900 0.073 0.000 1.219 151 G CA -0.101 45.028 45.100 0.049 0.000 0.866 151 G HN 0.042 nan 8.290 nan 0.000 0.572 152 V N 0.236 120.201 119.914 0.084 0.000 2.709 152 V HA 0.482 4.602 4.120 -0.000 0.000 0.308 152 V C -0.964 175.246 176.094 0.193 0.000 1.062 152 V CA -0.742 61.636 62.300 0.129 0.000 0.901 152 V CB 1.788 33.659 31.823 0.079 0.000 1.003 152 V HN 0.672 nan 8.190 nan 0.000 0.425 153 F N 3.518 123.538 119.950 0.116 0.000 2.443 153 F HA 0.712 5.239 4.527 -0.000 0.000 0.335 153 F C -0.986 174.965 175.800 0.251 0.000 1.104 153 F CA -0.517 57.572 58.000 0.148 0.000 1.013 153 F CB 1.620 40.679 39.000 0.100 0.000 1.136 153 F HN 0.645 nan 8.300 nan 0.000 0.470 154 W N 8.115 129.243 121.300 -0.287 0.000 2.604 154 W HA 0.342 5.002 4.660 -0.000 0.000 0.302 154 W C -1.485 174.947 176.519 -0.145 0.000 1.013 154 W CA -0.490 56.825 57.345 -0.050 0.000 1.338 154 W CB 0.912 30.323 29.460 -0.082 0.000 1.233 154 W HN 0.560 nan 8.180 nan 0.000 0.390 155 E N 3.198 123.288 120.200 -0.184 0.000 2.222 155 E HA 0.696 5.046 4.350 -0.000 0.000 0.272 155 E C -0.874 175.423 176.600 -0.504 0.000 0.982 155 E CA -0.455 55.843 56.400 -0.170 0.000 0.842 155 E CB 1.880 31.704 29.700 0.207 0.000 1.144 155 E HN 0.173 nan 8.360 nan 0.000 0.397 156 S N 1.477 116.999 115.700 -0.297 0.000 2.552 156 S HA 0.526 4.996 4.470 -0.000 0.000 0.272 156 S C -0.637 174.016 174.600 0.089 0.000 1.150 156 S CA 0.067 58.133 58.200 -0.223 0.000 0.849 156 S CB 1.330 64.257 63.200 -0.455 0.000 1.113 156 S HN 0.572 nan 8.310 nan 0.000 0.458 157 A N 1.660 124.466 122.820 -0.025 0.000 2.275 157 A HA 0.558 4.877 4.320 -0.000 0.000 0.212 157 A C 1.548 178.984 177.584 -0.245 0.000 1.201 157 A CA 0.735 52.764 52.037 -0.013 0.000 0.843 157 A CB -1.028 17.945 19.000 -0.046 0.000 0.873 157 A HN 2.311 nan 8.150 nan 0.000 0.492 158 G N -0.379 107.961 108.800 -0.766 0.000 2.143 158 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.248 158 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.248 158 G C 0.130 174.766 174.900 -0.439 0.000 0.991 158 G CA 0.586 44.856 45.100 -1.384 0.000 0.689 158 G HN 0.528 nan 8.290 nan 0.000 0.522 159 E N -0.568 119.501 120.200 -0.219 0.000 4.138 159 E HA 0.505 4.855 4.350 -0.000 0.000 0.369 159 E C 1.833 178.428 176.600 -0.007 0.000 0.995 159 E CA 0.025 56.374 56.400 -0.084 0.000 2.264 159 E CB -0.570 29.098 29.700 -0.053 0.000 1.876 159 E HN 0.411 nan 8.360 nan 0.000 0.697 160 G N 0.069 108.888 108.800 0.031 0.000 2.985 160 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.209 160 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.209 160 G C 0.044 175.016 174.900 0.119 0.000 1.165 160 G CA 0.025 45.181 45.100 0.095 0.000 0.776 160 G HN 0.342 nan 8.290 nan 0.000 0.541 161 E N -0.096 120.146 120.200 0.069 0.000 2.246 161 E HA 0.534 4.884 4.350 -0.000 0.000 0.266 161 E C -1.396 175.203 176.600 -0.002 0.000 0.880 161 E CA -1.223 55.179 56.400 0.004 0.000 0.762 161 E CB 1.414 31.094 29.700 -0.033 0.000 1.180 161 E HN 0.276 nan 8.360 nan 0.000 0.416 162 Y N -0.525 119.727 120.300 -0.079 0.000 2.562 162 Y HA 0.707 5.257 4.550 -0.000 0.000 0.343 162 Y C -0.783 174.979 175.900 -0.230 0.000 1.025 162 Y CA -1.114 56.809 58.100 -0.295 0.000 1.082 162 Y CB 1.840 40.065 38.460 -0.393 0.000 1.264 162 Y HN 0.290 nan 8.280 nan 0.000 0.478 163 T N 3.051 117.515 114.554 -0.149 0.000 2.797 163 T HA 0.532 4.882 4.350 -0.000 0.000 0.279 163 T C -1.189 173.607 174.700 0.160 0.000 0.991 163 T CA -0.713 61.371 62.100 -0.027 0.000 0.979 163 T CB 1.418 70.291 68.868 0.009 0.000 0.943 163 T HN 0.770 nan 8.240 nan 0.000 0.444 164 V N 1.865 121.920 119.914 0.236 0.000 2.656 164 V HA 0.942 5.062 4.120 -0.000 0.000 0.307 164 V C -1.253 174.979 176.094 0.231 0.000 1.051 164 V CA -0.590 61.920 62.300 0.350 0.000 0.893 164 V CB 1.306 33.396 31.823 0.446 0.000 0.999 164 V HN 1.218 nan 8.190 nan 0.000 0.426 165 A N 3.984 126.961 122.820 0.261 0.000 2.547 165 A HA 0.678 4.998 4.320 -0.000 0.000 0.297 165 A C -1.261 176.419 177.584 0.160 0.000 1.056 165 A CA -0.709 51.414 52.037 0.144 0.000 0.688 165 A CB 1.488 20.497 19.000 0.014 0.000 1.282 165 A HN 0.859 nan 8.150 nan 0.000 0.400 166 D N 1.860 122.316 120.400 0.093 0.000 2.339 166 D HA 0.456 5.095 4.640 -0.000 0.000 0.256 166 D C 0.667 177.014 176.300 0.077 0.000 1.214 166 D CA 0.446 54.497 54.000 0.084 0.000 0.877 166 D CB 0.537 41.369 40.800 0.053 0.000 1.111 166 D HN 0.595 nan 8.370 nan 0.000 0.478 167 I N -1.636 118.998 120.570 0.106 0.000 3.617 167 I HA 0.683 4.852 4.170 -0.000 0.000 0.283 167 I C -0.534 175.628 176.117 0.076 0.000 1.160 167 I CA -0.775 60.584 61.300 0.098 0.000 1.084 167 I CB 2.150 40.251 38.000 0.169 0.000 1.365 167 I HN 0.054 nan 8.210 nan 0.000 0.494 168 T N 1.108 115.704 114.554 0.070 0.000 2.912 168 T HA 0.593 4.943 4.350 -0.000 0.000 0.299 168 T C -1.061 173.671 174.700 0.053 0.000 1.052 168 T CA -0.554 61.577 62.100 0.052 0.000 0.996 168 T CB 1.811 70.702 68.868 0.039 0.000 1.070 168 T HN 0.582 nan 8.240 nan 0.000 0.465 169 K N 1.915 122.340 120.400 0.041 0.000 2.619 169 K HA 0.263 4.583 4.320 -0.000 0.000 0.251 169 K C -0.432 176.183 176.600 0.025 0.000 0.987 169 K CA -0.377 55.932 56.287 0.036 0.000 0.844 169 K CB 1.168 33.690 32.500 0.038 0.000 1.237 169 K HN 0.401 nan 8.250 nan 0.000 0.447 170 E N 3.713 123.927 120.200 0.024 0.000 2.424 170 E HA 0.059 4.409 4.350 -0.000 0.000 0.237 170 E C -0.857 175.753 176.600 0.016 0.000 1.381 170 E CA 0.273 56.685 56.400 0.019 0.000 1.587 170 E CB -0.267 29.445 29.700 0.020 0.000 1.398 170 E HN 0.539 nan 8.360 nan 0.000 0.439 171 D N -0.076 120.332 120.400 0.013 0.000 2.300 171 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 171 D C -0.034 176.266 176.300 0.001 0.000 1.326 171 D CA -0.590 53.414 54.000 0.007 0.000 0.942 171 D CB 0.418 41.221 40.800 0.006 0.000 1.495 171 D HN 0.049 nan 8.370 nan 0.000 0.545 172 R N 1.153 121.653 120.500 0.000 0.000 2.756 172 R HA 0.421 4.761 4.340 -0.000 0.000 0.264 172 R C 0.493 176.783 176.300 -0.016 0.000 1.026 172 R CA 1.201 57.298 56.100 -0.006 0.000 1.121 172 R CB 0.323 30.622 30.300 -0.002 0.000 0.999 172 R HN 0.732 nan 8.270 nan 0.000 0.449 173 G N 0.743 109.528 108.800 -0.024 0.000 2.280 173 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.277 173 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.277 173 G C -1.333 173.541 174.900 -0.043 0.000 1.288 173 G CA -0.346 44.733 45.100 -0.036 0.000 1.075 173 G HN 0.689 nan 8.290 nan 0.000 0.480 174 T N 0.916 115.439 114.554 -0.053 0.000 2.840 174 T HA 0.576 4.926 4.350 -0.000 0.000 0.287 174 T C -0.719 173.948 174.700 -0.054 0.000 0.991 174 T CA -0.374 61.691 62.100 -0.060 0.000 0.964 174 T CB 1.815 70.638 68.868 -0.075 0.000 0.954 174 T HN 0.608 nan 8.240 nan 0.000 0.438 175 E N 4.222 124.395 120.200 -0.045 0.000 2.101 175 E HA 0.281 4.631 4.350 -0.000 0.000 0.260 175 E C -0.619 175.963 176.600 -0.030 0.000 0.897 175 E CA -0.649 55.729 56.400 -0.037 0.000 0.744 175 E CB 0.422 30.108 29.700 -0.023 0.000 1.140 175 E HN 0.400 nan 8.360 nan 0.000 0.419 176 I N 4.629 125.186 120.570 -0.022 0.000 2.297 176 I HA 0.142 4.311 4.170 -0.000 0.000 0.291 176 I C -0.034 176.077 176.117 -0.010 0.000 1.033 176 I CA -0.322 60.980 61.300 0.003 0.000 1.253 176 I CB 0.766 38.781 38.000 0.025 0.000 1.396 176 I HN 0.360 nan 8.210 nan 0.000 0.476 177 T N 6.944 121.496 114.554 -0.003 0.000 2.770 177 T HA 0.532 4.882 4.350 -0.000 0.000 0.297 177 T C -0.024 174.681 174.700 0.009 0.000 0.997 177 T CA -0.591 61.512 62.100 0.005 0.000 0.949 177 T CB 1.094 69.974 68.868 0.019 0.000 0.941 177 T HN 0.135 nan 8.240 nan 0.000 0.457 178 L N 3.787 125.013 121.223 0.005 0.000 2.276 178 L HA 0.288 4.628 4.340 -0.000 0.000 0.286 178 L C 0.592 177.493 176.870 0.052 0.000 1.061 178 L CA -0.456 54.384 54.840 -0.001 0.000 0.807 178 L CB 0.476 42.526 42.059 -0.016 0.000 1.177 178 L HN 0.648 nan 8.230 nan 0.000 0.429 179 H N 5.229 124.293 119.070 -0.010 0.000 2.705 179 H HA 0.311 4.867 4.556 -0.000 0.000 0.291 179 H C -0.499 174.834 175.328 0.009 0.000 1.085 179 H CA -0.426 55.633 56.048 0.019 0.000 1.357 179 H CB 0.535 30.317 29.762 0.034 0.000 1.419 179 H HN 0.468 nan 8.280 nan 0.000 0.462 180 L N 4.835 126.103 121.223 0.076 0.000 2.452 180 L HA 0.201 4.540 4.340 -0.000 0.000 0.267 180 L C 1.154 178.111 176.870 0.146 0.000 1.188 180 L CA -0.334 54.556 54.840 0.084 0.000 0.821 180 L CB 0.535 42.620 42.059 0.043 0.000 1.102 180 L HN 0.486 nan 8.230 nan 0.000 0.470 181 R N 1.322 121.863 120.500 0.069 0.000 2.490 181 R HA 0.231 4.571 4.340 -0.000 0.000 0.278 181 R C -0.012 176.307 176.300 0.032 0.000 1.069 181 R CA -0.301 55.832 56.100 0.055 0.000 1.080 181 R CB 0.486 30.794 30.300 0.012 0.000 1.030 181 R HN 0.718 nan 8.270 nan 0.000 0.491 182 E N 0.622 120.844 120.200 0.037 0.000 2.708 182 E HA 0.140 4.490 4.350 -0.000 0.000 0.260 182 E C 1.207 177.801 176.600 -0.010 0.000 0.937 182 E CA 0.782 57.192 56.400 0.016 0.000 0.953 182 E CB -0.357 29.353 29.700 0.016 0.000 0.915 182 E HN 0.762 nan 8.360 nan 0.000 0.487 183 G N 1.640 110.428 108.800 -0.021 0.000 2.490 183 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 183 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 183 G C 0.828 175.681 174.900 -0.079 0.000 1.151 183 G CA 0.346 45.421 45.100 -0.042 0.000 0.684 183 G HN 0.654 nan 8.290 nan 0.000 0.518 184 E N 1.551 121.691 120.200 -0.100 0.000 2.301 184 E HA 0.175 4.525 4.350 -0.000 0.000 0.195 184 E C 0.849 177.350 176.600 -0.165 0.000 1.171 184 E CA 0.214 56.494 56.400 -0.200 0.000 1.142 184 E CB 0.019 29.581 29.700 -0.230 0.000 1.218 184 E HN 0.527 nan 8.360 nan 0.000 0.448 185 D N 1.345 121.694 120.400 -0.084 0.000 2.393 185 D HA -0.186 4.454 4.640 -0.000 0.000 0.220 185 D C 1.645 177.930 176.300 -0.026 0.000 0.974 185 D CA 0.698 54.680 54.000 -0.030 0.000 0.931 185 D CB 0.070 40.860 40.800 -0.017 0.000 0.889 185 D HN 0.378 nan 8.370 nan 0.000 0.512 186 E N -0.609 119.515 120.200 -0.126 0.000 2.265 186 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 186 E C 0.651 177.322 176.600 0.118 0.000 0.996 186 E CA 0.542 56.880 56.400 -0.103 0.000 0.832 186 E CB -0.056 29.478 29.700 -0.277 0.000 0.756 186 E HN 0.413 nan 8.360 nan 0.000 0.491 187 F N 0.225 120.218 119.950 0.072 0.000 2.730 187 F HA 0.190 4.717 4.527 -0.000 0.000 0.295 187 F C 1.120 177.053 175.800 0.222 0.000 1.143 187 F CA -0.513 57.579 58.000 0.153 0.000 1.367 187 F CB 0.557 39.662 39.000 0.176 0.000 0.970 187 F HN 0.005 nan 8.300 nan 0.000 0.514 188 L N -1.024 120.369 121.223 0.284 0.000 2.638 188 L HA 0.106 4.446 4.340 -0.000 0.000 0.232 188 L C 0.337 177.117 176.870 -0.150 0.000 1.099 188 L CA 0.026 54.958 54.840 0.154 0.000 0.883 188 L CB 0.027 42.140 42.059 0.091 0.000 1.136 188 L HN -0.069 nan 8.230 nan 0.000 0.492 189 D N 1.572 121.963 120.400 -0.014 0.000 2.357 189 D HA -0.080 4.559 4.640 -0.000 0.000 0.265 189 D C 1.196 177.436 176.300 -0.099 0.000 1.334 189 D CA 0.023 53.996 54.000 -0.044 0.000 0.984 189 D CB 0.532 41.379 40.800 0.078 0.000 1.077 189 D HN 0.220 nan 8.370 nan 0.000 0.514 190 D N 2.813 122.978 120.400 -0.392 0.000 2.228 190 D HA -0.235 4.405 4.640 -0.000 0.000 0.203 190 D C 1.633 178.009 176.300 0.126 0.000 0.988 190 D CA 0.503 54.351 54.000 -0.253 0.000 0.864 190 D CB -0.479 40.117 40.800 -0.341 0.000 0.928 190 D HN 0.555 nan 8.370 nan 0.000 0.469 191 W N 2.490 123.762 121.300 -0.047 0.000 2.381 191 W HA -0.049 4.610 4.660 -0.000 0.000 0.321 191 W C 2.724 179.263 176.519 0.034 0.000 1.196 191 W CA 1.398 58.742 57.345 -0.002 0.000 1.304 191 W CB -0.753 28.697 29.460 -0.016 0.000 1.166 191 W HN -0.144 nan 8.180 nan 0.000 0.473 192 R N 0.324 120.598 120.500 -0.378 0.000 2.113 192 R HA -0.220 4.120 4.340 -0.000 0.000 0.244 192 R C 2.150 178.295 176.300 -0.259 0.000 1.142 192 R CA 2.921 58.673 56.100 -0.580 0.000 0.953 192 R CB -0.931 29.212 30.300 -0.262 0.000 0.860 192 R HN 0.179 nan 8.270 nan 0.000 0.438 193 V N 1.188 121.077 119.914 -0.041 0.000 2.252 193 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 193 V C 2.578 178.645 176.094 -0.044 0.000 1.056 193 V CA 2.408 64.704 62.300 -0.006 0.000 1.022 193 V CB -0.788 31.155 31.823 0.201 0.000 0.641 193 V HN 0.481 nan 8.190 nan 0.000 0.445 194 R N 0.082 120.599 120.500 0.028 0.000 2.115 194 R HA -0.257 4.083 4.340 -0.000 0.000 0.239 194 R C 2.593 178.862 176.300 -0.052 0.000 1.133 194 R CA 2.467 58.590 56.100 0.038 0.000 0.935 194 R CB -0.749 29.641 30.300 0.149 0.000 0.853 194 R HN 0.481 nan 8.270 nan 0.000 0.433 195 S N 0.020 115.647 115.700 -0.123 0.000 2.382 195 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 195 S C 2.053 176.526 174.600 -0.211 0.000 1.027 195 S CA 1.273 59.389 58.200 -0.140 0.000 0.991 195 S CB -0.255 62.792 63.200 -0.255 0.000 0.823 195 S HN 0.401 nan 8.310 nan 0.000 0.469 196 I N 1.494 121.909 120.570 -0.259 0.000 2.076 196 I HA -0.218 3.952 4.170 -0.000 0.000 0.237 196 I C 2.162 177.935 176.117 -0.572 0.000 1.059 196 I CA 1.680 62.773 61.300 -0.344 0.000 1.317 196 I CB -0.551 37.299 38.000 -0.249 0.000 1.037 196 I HN 0.331 nan 8.210 nan 0.000 0.398 197 I N 0.884 121.227 120.570 -0.378 0.000 2.530 197 I HA -0.273 3.897 4.170 -0.000 0.000 0.257 197 I C 2.767 178.712 176.117 -0.286 0.000 1.179 197 I CA 1.517 62.631 61.300 -0.311 0.000 1.440 197 I CB -0.549 37.404 38.000 -0.079 0.000 1.087 197 I HN 0.384 nan 8.210 nan 0.000 0.440 198 S N 1.664 117.225 115.700 -0.231 0.000 2.402 198 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 198 S C 2.401 176.919 174.600 -0.137 0.000 1.021 198 S CA 1.493 59.620 58.200 -0.122 0.000 0.974 198 S CB -0.366 62.793 63.200 -0.068 0.000 0.800 198 S HN 0.450 nan 8.310 nan 0.000 0.484 199 K N 0.755 120.992 120.400 -0.272 0.000 2.147 199 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 199 K C 1.795 178.375 176.600 -0.033 0.000 1.049 199 K CA 1.566 57.741 56.287 -0.187 0.000 0.936 199 K CB -1.582 30.760 32.500 -0.262 0.000 0.722 199 K HN 0.872 nan 8.250 nan 0.000 0.446 200 Y N 0.313 120.614 120.300 0.001 0.000 2.286 200 Y HA 0.048 4.598 4.550 -0.000 0.000 0.293 200 Y C 3.335 179.257 175.900 0.036 0.000 1.124 200 Y CA 0.476 58.585 58.100 0.015 0.000 1.178 200 Y CB -0.050 38.400 38.460 -0.016 0.000 1.010 200 Y HN 0.349 nan 8.280 nan 0.000 0.536 201 S N 0.669 116.457 115.700 0.147 0.000 2.537 201 S HA -0.120 4.349 4.470 -0.000 0.000 0.240 201 S C 1.372 176.027 174.600 0.092 0.000 0.981 201 S CA 1.426 59.685 58.200 0.098 0.000 0.948 201 S CB -1.257 61.972 63.200 0.050 0.000 0.759 201 S HN 0.576 nan 8.310 nan 0.000 0.531 202 D N -1.119 119.349 120.400 0.113 0.000 2.339 202 D HA 0.149 4.789 4.640 -0.000 0.000 0.217 202 D C 1.257 177.665 176.300 0.179 0.000 1.050 202 D CA 0.431 54.501 54.000 0.116 0.000 0.856 202 D CB -0.554 40.301 40.800 0.092 0.000 0.922 202 D HN 0.808 nan 8.370 nan 0.000 0.518 203 H N -1.517 117.592 119.070 0.065 0.000 3.058 203 H HA 0.281 4.836 4.556 -0.000 0.000 0.258 203 H C 0.263 175.616 175.328 0.041 0.000 1.015 203 H CA -0.374 55.705 56.048 0.051 0.000 1.210 203 H CB 0.802 30.589 29.762 0.043 0.000 1.481 203 H HN 0.264 nan 8.280 nan 0.000 0.492 204 I N 1.144 121.724 120.570 0.016 0.000 3.060 204 I HA 0.031 4.201 4.170 -0.000 0.000 0.285 204 I C 1.207 177.284 176.117 -0.065 0.000 1.190 204 I CA 0.588 61.857 61.300 -0.052 0.000 1.363 204 I CB 1.123 39.131 38.000 0.015 0.000 1.396 204 I HN 0.199 nan 8.210 nan 0.000 0.607 205 A N 5.195 127.974 122.820 -0.068 0.000 2.390 205 A HA 0.460 4.780 4.320 -0.000 0.000 0.232 205 A C -0.128 177.449 177.584 -0.012 0.000 1.233 205 A CA 0.042 52.051 52.037 -0.046 0.000 0.907 205 A CB -0.133 18.829 19.000 -0.062 0.000 0.967 205 A HN 0.479 nan 8.150 nan 0.000 0.512 206 L N -0.730 120.486 121.223 -0.011 0.000 2.415 206 L HA 0.618 4.958 4.340 -0.000 0.000 0.256 206 L C -2.931 173.936 176.870 -0.005 0.000 1.010 206 L CA -1.979 52.856 54.840 -0.008 0.000 0.826 206 L CB 1.914 43.959 42.059 -0.024 0.000 1.405 206 L HN -0.183 nan 8.230 nan 0.000 0.410 207 P HA 0.174 nan 4.420 nan 0.000 0.265 207 P C -1.213 176.072 177.300 -0.026 0.000 1.222 207 P CA 0.003 63.096 63.100 -0.012 0.000 0.767 207 P CB 0.478 32.166 31.700 -0.019 0.000 0.801 208 V N 4.805 124.712 119.914 -0.012 0.000 2.333 208 V HA 0.185 4.305 4.120 -0.000 0.000 0.274 208 V C 0.513 176.612 176.094 0.009 0.000 1.028 208 V CA -0.323 61.967 62.300 -0.016 0.000 0.851 208 V CB 0.659 32.480 31.823 -0.004 0.000 1.000 208 V HN 0.470 nan 8.190 nan 0.000 0.456 209 E N 5.220 125.418 120.200 -0.004 0.000 2.175 209 E HA 0.527 4.877 4.350 -0.000 0.000 0.278 209 E C -0.967 175.746 176.600 0.188 0.000 0.969 209 E CA -0.653 55.795 56.400 0.080 0.000 0.796 209 E CB 2.192 31.899 29.700 0.013 0.000 1.104 209 E HN 0.420 nan 8.360 nan 0.000 0.395 210 I N 2.381 123.119 120.570 0.281 0.000 2.441 210 I HA 0.111 4.281 4.170 -0.000 0.000 0.295 210 I C 0.424 176.795 176.117 0.423 0.000 0.994 210 I CA -0.657 60.842 61.300 0.331 0.000 1.144 210 I CB 1.586 39.736 38.000 0.250 0.000 1.314 210 I HN 0.652 nan 8.210 nan 0.000 0.445 211 E N 6.604 127.075 120.200 0.450 0.000 2.415 211 E HA -0.042 4.307 4.350 -0.000 0.000 0.260 211 E C -0.490 176.160 176.600 0.083 0.000 1.016 211 E CA 0.181 56.632 56.400 0.084 0.000 0.924 211 E CB 0.609 30.404 29.700 0.159 0.000 0.961 211 E HN 0.382 nan 8.360 nan 0.000 0.459 212 K N 5.285 125.630 120.400 -0.092 0.000 2.464 212 K HA 0.151 4.470 4.320 -0.000 0.000 0.252 212 K C -0.747 175.784 176.600 -0.114 0.000 1.000 212 K CA -0.735 55.518 56.287 -0.058 0.000 0.951 212 K CB 0.821 33.302 32.500 -0.031 0.000 1.183 212 K HN 0.472 nan 8.250 nan 0.000 0.445 213 R N 4.675 125.119 120.500 -0.092 0.000 2.235 213 R HA 0.067 4.407 4.340 -0.000 0.000 0.338 213 R C -0.899 175.358 176.300 -0.073 0.000 1.087 213 R CA -0.040 56.005 56.100 -0.092 0.000 0.948 213 R CB 0.427 30.680 30.300 -0.079 0.000 1.099 213 R HN 0.736 nan 8.270 nan 0.000 0.483 214 E N 1.733 121.891 120.200 -0.070 0.000 2.222 214 E HA 0.399 4.748 4.350 -0.000 0.000 0.267 214 E C -1.259 175.311 176.600 -0.051 0.000 0.884 214 E CA -0.778 55.588 56.400 -0.057 0.000 0.764 214 E CB 1.475 31.143 29.700 -0.052 0.000 1.169 214 E HN 0.512 nan 8.360 nan 0.000 0.413 215 E N 1.451 121.624 120.200 -0.045 0.000 2.151 215 E HA 0.618 4.967 4.350 -0.000 0.000 0.275 215 E C -0.501 176.079 176.600 -0.034 0.000 0.936 215 E CA -0.207 56.170 56.400 -0.038 0.000 0.777 215 E CB 1.411 31.090 29.700 -0.035 0.000 1.108 215 E HN 0.869 nan 8.360 nan 0.000 0.401 216 K N 0.848 121.230 120.400 -0.031 0.000 2.625 216 K HA 0.607 4.927 4.320 -0.000 0.000 0.284 216 K C -0.070 176.516 176.600 -0.023 0.000 0.984 216 K CA -0.027 56.244 56.287 -0.027 0.000 0.865 216 K CB 0.531 33.014 32.500 -0.028 0.000 1.468 216 K HN 0.719 nan 8.250 nan 0.000 0.407 217 D N -0.665 119.723 120.400 -0.020 0.000 3.077 217 D HA -0.198 4.442 4.640 -0.000 0.000 0.217 217 D C 1.165 177.455 176.300 -0.016 0.000 1.162 217 D CA 3.426 57.416 54.000 -0.017 0.000 0.943 217 D CB -1.551 39.240 40.800 -0.016 0.000 1.122 217 D HN 2.239 nan 8.370 nan 0.000 0.413 218 G N -0.191 108.599 108.800 -0.017 0.000 2.377 218 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.250 218 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.250 218 G C 0.040 174.929 174.900 -0.017 0.000 1.039 218 G CA 0.755 45.846 45.100 -0.016 0.000 0.625 218 G HN 0.748 nan 8.290 nan 0.000 0.526 219 E N 1.370 121.559 120.200 -0.018 0.000 2.200 219 E HA 0.512 4.862 4.350 -0.000 0.000 0.283 219 E C 0.011 176.595 176.600 -0.025 0.000 1.015 219 E CA -0.131 56.257 56.400 -0.019 0.000 0.819 219 E CB 0.817 30.507 29.700 -0.017 0.000 1.081 219 E HN 0.403 nan 8.360 nan 0.000 0.397 220 T N 0.473 115.010 114.554 -0.027 0.000 2.738 220 T HA 0.307 4.657 4.350 -0.000 0.000 0.294 220 T C 0.469 175.142 174.700 -0.044 0.000 0.914 220 T CA -0.890 61.188 62.100 -0.036 0.000 1.052 220 T CB 0.347 69.195 68.868 -0.033 0.000 0.897 220 T HN 0.460 nan 8.240 nan 0.000 0.522 221 V N 2.302 122.185 119.914 -0.052 0.000 2.644 221 V HA 0.689 4.809 4.120 -0.000 0.000 0.295 221 V C -0.250 175.784 176.094 -0.100 0.000 1.053 221 V CA -1.135 61.125 62.300 -0.066 0.000 0.987 221 V CB 0.761 32.550 31.823 -0.058 0.000 1.006 221 V HN 0.874 nan 8.190 nan 0.000 0.472 222 I N 4.991 125.478 120.570 -0.140 0.000 2.382 222 I HA 0.442 4.612 4.170 -0.000 0.000 0.285 222 I C 0.489 176.425 176.117 -0.302 0.000 1.007 222 I CA -0.195 60.961 61.300 -0.240 0.000 1.142 222 I CB 1.711 39.527 38.000 -0.307 0.000 1.289 222 I HN 0.934 nan 8.210 nan 0.000 0.453 223 S N 3.868 119.407 115.700 -0.269 0.000 2.693 223 S HA 0.550 5.020 4.470 -0.000 0.000 0.276 223 S C -1.109 173.256 174.600 -0.393 0.000 1.192 223 S CA -0.722 57.340 58.200 -0.229 0.000 0.994 223 S CB 0.964 64.118 63.200 -0.078 0.000 1.012 223 S HN 0.460 nan 8.310 nan 0.000 0.550 224 W N 0.270 121.586 121.300 0.026 0.000 2.429 224 W HA 0.529 5.189 4.660 -0.000 0.000 0.314 224 W C 0.230 176.762 176.519 0.023 0.000 1.062 224 W CA -0.466 56.896 57.345 0.028 0.000 1.211 224 W CB 1.007 30.478 29.460 0.018 0.000 1.305 224 W HN 0.709 nan 8.180 nan 0.000 0.476 225 E N 3.237 123.593 120.200 0.260 0.000 2.102 225 E HA 0.218 4.567 4.350 -0.000 0.000 0.263 225 E C -0.582 176.101 176.600 0.140 0.000 0.894 225 E CA -0.642 55.850 56.400 0.153 0.000 0.746 225 E CB 0.628 30.392 29.700 0.106 0.000 1.129 225 E HN 0.262 nan 8.360 nan 0.000 0.416 226 K N 4.086 124.547 120.400 0.102 0.000 2.412 226 K HA 0.097 4.416 4.320 -0.000 0.000 0.281 226 K C 1.055 177.685 176.600 0.050 0.000 1.027 226 K CA 0.130 56.455 56.287 0.064 0.000 0.989 226 K CB 0.610 33.133 32.500 0.039 0.000 0.935 226 K HN 0.616 nan 8.250 nan 0.000 0.475 227 I N -0.454 120.142 120.570 0.045 0.000 3.956 227 I HA 0.069 4.239 4.170 -0.000 0.000 0.333 227 I C -0.606 175.525 176.117 0.023 0.000 1.302 227 I CA -0.330 60.994 61.300 0.040 0.000 1.122 227 I CB 0.223 38.249 38.000 0.044 0.000 1.013 227 I HN 0.308 nan 8.210 nan 0.000 0.405 228 N N 2.259 120.968 118.700 0.016 0.000 2.746 228 N HA 0.214 4.953 4.740 -0.000 0.000 0.250 228 N C -0.053 175.451 175.510 -0.009 0.000 1.146 228 N CA -0.412 52.642 53.050 0.006 0.000 0.828 228 N CB 1.641 40.136 38.487 0.013 0.000 1.158 228 N HN 0.084 nan 8.380 nan 0.000 0.519 229 K N 1.261 121.649 120.400 -0.020 0.000 2.209 229 K HA 0.086 4.406 4.320 -0.000 0.000 0.204 229 K C 0.245 176.801 176.600 -0.073 0.000 1.048 229 K CA 0.767 57.030 56.287 -0.040 0.000 0.940 229 K CB -0.027 32.447 32.500 -0.043 0.000 0.729 229 K HN 0.732 nan 8.250 nan 0.000 0.451 230 A N -0.581 122.194 122.820 -0.075 0.000 2.302 230 A HA 0.006 4.326 4.320 -0.000 0.000 0.634 230 A C 0.024 177.493 177.584 -0.191 0.000 0.278 230 A CA 0.413 52.379 52.037 -0.118 0.000 0.218 230 A CB -1.972 16.951 19.000 -0.128 0.000 3.675 230 A HN 0.358 nan 8.150 nan 0.000 0.507 231 Q N 0.763 120.454 119.800 -0.182 0.000 2.452 231 Q HA 0.692 5.032 4.340 -0.000 0.000 0.230 231 Q C 0.317 176.085 176.000 -0.386 0.000 1.180 231 Q CA 0.760 56.430 55.803 -0.220 0.000 0.914 231 Q CB 0.335 28.992 28.738 -0.135 0.000 1.408 231 Q HN 2.567 nan 8.270 nan 0.000 0.520 232 A N 2.633 125.134 122.820 -0.531 0.000 2.651 232 A HA 0.520 4.840 4.320 -0.000 0.000 0.290 232 A C 0.472 177.533 177.584 -0.871 0.000 1.185 232 A CA -0.399 51.036 52.037 -1.004 0.000 0.746 232 A CB 0.629 19.002 19.000 -1.045 0.000 1.213 232 A HN 0.983 nan 8.150 nan 0.000 0.429 233 L N 1.350 122.098 121.223 -0.792 0.000 2.456 233 L HA -0.014 4.325 4.340 -0.000 0.000 0.224 233 L C 1.416 178.087 176.870 -0.332 0.000 1.148 233 L CA 1.387 55.889 54.840 -0.564 0.000 0.825 233 L CB -0.076 41.531 42.059 -0.753 0.000 0.937 233 L HN 0.956 nan 8.230 nan 0.000 0.450 234 W N -3.248 117.955 121.300 -0.161 0.000 3.194 234 W HA 0.362 5.022 4.660 -0.000 0.000 0.408 234 W C 0.958 177.623 176.519 0.243 0.000 1.072 234 W CA -0.269 57.197 57.345 0.201 0.000 1.953 234 W CB -0.721 28.856 29.460 0.195 0.000 1.091 234 W HN -0.266 nan 8.180 nan 0.000 0.699 235 T N 0.052 114.529 114.554 -0.128 0.000 3.114 235 T HA 0.135 4.485 4.350 -0.000 0.000 0.240 235 T C 0.664 175.342 174.700 -0.036 0.000 0.983 235 T CA -0.167 61.875 62.100 -0.096 0.000 1.151 235 T CB -0.034 68.672 68.868 -0.271 0.000 0.974 235 T HN -0.169 nan 8.240 nan 0.000 0.442 236 R N 3.200 123.628 120.500 -0.121 0.000 2.488 236 R HA 0.085 4.425 4.340 -0.000 0.000 0.317 236 R C -0.022 176.243 176.300 -0.059 0.000 0.941 236 R CA -0.120 55.918 56.100 -0.104 0.000 1.076 236 R CB 0.019 30.219 30.300 -0.166 0.000 0.917 236 R HN 0.318 nan 8.270 nan 0.000 0.407 237 N N 2.098 120.800 118.700 0.003 0.000 2.260 237 N HA -0.074 4.665 4.740 -0.000 0.000 0.230 237 N C 0.868 176.397 175.510 0.031 0.000 1.323 237 N CA -0.070 53.022 53.050 0.071 0.000 0.897 237 N CB 0.364 38.890 38.487 0.064 0.000 1.146 237 N HN 0.410 nan 8.380 nan 0.000 0.460 238 K N -0.435 120.029 120.400 0.107 0.000 2.442 238 K HA 0.004 4.323 4.320 -0.000 0.000 0.198 238 K C 0.306 176.958 176.600 0.087 0.000 1.044 238 K CA 0.731 57.102 56.287 0.139 0.000 0.948 238 K CB 0.026 32.649 32.500 0.206 0.000 0.762 238 K HN 0.280 nan 8.250 nan 0.000 0.472 239 S N 0.551 116.278 115.700 0.045 0.000 2.979 239 S HA 0.114 4.584 4.470 -0.000 0.000 0.210 239 S C -0.063 174.528 174.600 -0.015 0.000 1.364 239 S CA -0.413 57.800 58.200 0.022 0.000 1.208 239 S CB 0.177 63.391 63.200 0.024 0.000 1.167 239 S HN 0.327 nan 8.310 nan 0.000 0.519 240 E N 0.936 121.105 120.200 -0.051 0.000 2.642 240 E HA 0.188 4.538 4.350 -0.000 0.000 0.206 240 E C -0.348 176.171 176.600 -0.134 0.000 0.939 240 E CA 0.064 56.414 56.400 -0.083 0.000 1.372 240 E CB 0.558 30.202 29.700 -0.095 0.000 1.334 240 E HN 0.480 nan 8.360 nan 0.000 0.709 241 I N 1.918 122.377 120.570 -0.184 0.000 2.488 241 I HA 0.237 4.407 4.170 -0.000 0.000 0.299 241 I C 0.169 176.137 176.117 -0.248 0.000 0.984 241 I CA -0.419 60.668 61.300 -0.354 0.000 1.250 241 I CB 1.781 39.324 38.000 -0.762 0.000 1.389 241 I HN -0.177 nan 8.210 nan 0.000 0.488 242 T N 2.824 117.224 114.554 -0.257 0.000 2.882 242 T HA 0.104 4.454 4.350 -0.000 0.000 0.287 242 T C 0.509 175.179 174.700 -0.049 0.000 0.992 242 T CA -0.471 61.569 62.100 -0.099 0.000 1.076 242 T CB 1.433 70.256 68.868 -0.075 0.000 0.961 242 T HN 0.474 nan 8.240 nan 0.000 0.490 243 D N 1.092 121.580 120.400 0.147 0.000 2.158 243 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 243 D C 1.950 178.344 176.300 0.156 0.000 0.995 243 D CA 1.091 55.276 54.000 0.310 0.000 0.846 243 D CB 0.113 41.148 40.800 0.390 0.000 0.941 243 D HN 0.618 nan 8.370 nan 0.000 0.456 244 E N 0.705 120.958 120.200 0.088 0.000 2.047 244 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 244 E C 1.785 178.388 176.600 0.005 0.000 0.987 244 E CA 1.021 57.455 56.400 0.057 0.000 0.799 244 E CB -0.021 29.703 29.700 0.040 0.000 0.752 244 E HN 0.310 nan 8.360 nan 0.000 0.449 245 E N -0.698 119.461 120.200 -0.069 0.000 2.049 245 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 245 E C 2.116 178.660 176.600 -0.093 0.000 1.007 245 E CA 1.531 57.851 56.400 -0.134 0.000 0.809 245 E CB -0.380 29.157 29.700 -0.272 0.000 0.749 245 E HN 0.447 nan 8.360 nan 0.000 0.450 246 Y N 1.037 121.229 120.300 -0.180 0.000 2.081 246 Y HA -0.283 4.267 4.550 -0.000 0.000 0.280 246 Y C 2.601 178.411 175.900 -0.148 0.000 1.163 246 Y CA 1.255 59.184 58.100 -0.284 0.000 1.135 246 Y CB -0.048 37.796 38.460 -1.026 0.000 0.970 246 Y HN -0.024 nan 8.280 nan 0.000 0.498 247 K N -0.128 120.269 120.400 -0.005 0.000 2.009 247 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 247 K C 1.925 178.583 176.600 0.097 0.000 1.049 247 K CA 1.623 57.955 56.287 0.074 0.000 0.929 247 K CB -0.236 32.347 32.500 0.138 0.000 0.714 247 K HN 0.234 nan 8.250 nan 0.000 0.440 248 E N 0.426 120.680 120.200 0.089 0.000 2.114 248 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 248 E C 1.825 178.504 176.600 0.132 0.000 1.008 248 E CA 1.135 57.585 56.400 0.083 0.000 0.810 248 E CB -0.334 29.395 29.700 0.049 0.000 0.739 248 E HN 0.203 nan 8.360 nan 0.000 0.456 249 F N 1.047 121.004 119.950 0.011 0.000 2.031 249 F HA -0.278 4.249 4.527 -0.000 0.000 0.295 249 F C 2.450 178.269 175.800 0.033 0.000 1.133 249 F CA 1.670 59.718 58.000 0.079 0.000 1.188 249 F CB -1.247 37.865 39.000 0.187 0.000 0.974 249 F HN 0.096 nan 8.300 nan 0.000 0.473 250 Y N 1.565 121.608 120.300 -0.428 0.000 2.102 250 Y HA -0.324 4.226 4.550 -0.000 0.000 0.280 250 Y C 2.362 178.033 175.900 -0.382 0.000 1.178 250 Y CA 2.534 60.131 58.100 -0.839 0.000 1.146 250 Y CB -0.916 36.618 38.460 -1.544 0.000 0.968 250 Y HN 0.138 nan 8.280 nan 0.000 0.504 251 K N -0.800 119.285 120.400 -0.525 0.000 2.052 251 K HA -0.325 3.994 4.320 -0.000 0.000 0.215 251 K C 2.272 178.709 176.600 -0.272 0.000 1.053 251 K CA 2.024 58.053 56.287 -0.429 0.000 0.934 251 K CB -0.681 31.768 32.500 -0.085 0.000 0.717 251 K HN 0.592 nan 8.250 nan 0.000 0.450 252 H N 0.675 119.612 119.070 -0.222 0.000 2.293 252 H HA -0.082 4.474 4.556 -0.000 0.000 0.300 252 H C 1.917 177.188 175.328 -0.096 0.000 1.082 252 H CA 1.770 57.757 56.048 -0.102 0.000 1.308 252 H CB 0.052 29.823 29.762 0.014 0.000 1.375 252 H HN 0.245 nan 8.280 nan 0.000 0.495 253 I N -1.569 118.894 120.570 -0.178 0.000 3.686 253 I HA 0.215 4.385 4.170 -0.000 0.000 0.308 253 I C 1.410 177.398 176.117 -0.214 0.000 1.254 253 I CA 0.715 61.905 61.300 -0.184 0.000 1.175 253 I CB 0.236 38.057 38.000 -0.298 0.000 1.009 253 I HN 0.084 nan 8.210 nan 0.000 0.459 254 A N -0.279 122.368 122.820 -0.288 0.000 2.312 254 A HA 0.189 4.509 4.320 -0.000 0.000 0.215 254 A C 1.138 178.614 177.584 -0.180 0.000 1.256 254 A CA 0.048 51.890 52.037 -0.325 0.000 0.966 254 A CB -0.488 18.110 19.000 -0.671 0.000 1.053 254 A HN 0.647 nan 8.150 nan 0.000 0.510 255 H N -0.374 118.512 119.070 -0.306 0.000 3.141 255 H HA -0.178 4.378 4.556 -0.000 0.000 0.260 255 H C -0.170 174.966 175.328 -0.319 0.000 1.132 255 H CA 0.867 56.775 56.048 -0.234 0.000 1.171 255 H CB -0.736 28.932 29.762 -0.156 0.000 1.274 255 H HN 0.673 nan 8.280 nan 0.000 0.329 256 D N -0.505 119.685 120.400 -0.350 0.000 2.326 256 D HA 0.222 4.862 4.640 -0.000 0.000 0.251 256 D C 0.630 176.651 176.300 -0.466 0.000 1.023 256 D CA -0.394 53.236 54.000 -0.616 0.000 0.966 256 D CB 0.914 41.434 40.800 -0.466 0.000 1.156 256 D HN 0.103 nan 8.370 nan 0.000 0.494 257 F N -0.554 119.377 119.950 -0.032 0.000 2.871 257 F HA 0.380 4.906 4.527 -0.000 0.000 0.344 257 F C 0.317 176.142 175.800 0.042 0.000 1.078 257 F CA -0.905 57.090 58.000 -0.008 0.000 1.149 257 F CB -1.069 37.932 39.000 0.003 0.000 1.087 257 F HN 0.034 nan 8.300 nan 0.000 0.557 258 N N 2.489 121.408 118.700 0.365 0.000 2.444 258 N HA 0.055 4.795 4.740 -0.000 0.000 0.255 258 N C -0.474 175.205 175.510 0.281 0.000 1.255 258 N CA -0.146 53.081 53.050 0.296 0.000 0.933 258 N CB 0.467 39.108 38.487 0.257 0.000 1.143 258 N HN 0.119 nan 8.380 nan 0.000 0.453 259 D N 1.327 121.884 120.400 0.262 0.000 2.344 259 D HA 0.120 4.759 4.640 -0.000 0.000 0.244 259 D C -2.188 174.289 176.300 0.295 0.000 1.134 259 D CA -0.864 53.307 54.000 0.286 0.000 0.930 259 D CB 0.425 41.366 40.800 0.234 0.000 1.175 259 D HN 0.311 nan 8.370 nan 0.000 0.437 260 P HA 0.078 nan 4.420 nan 0.000 0.274 260 P C 0.772 178.180 177.300 0.179 0.000 1.231 260 P CA -0.319 62.779 63.100 -0.003 0.000 0.790 260 P CB 1.242 32.875 31.700 -0.112 0.000 0.951 261 L N -0.317 120.983 121.223 0.128 0.000 2.270 261 L HA 0.083 4.423 4.340 -0.000 0.000 0.210 261 L C 1.377 178.279 176.870 0.054 0.000 1.104 261 L CA 1.269 56.182 54.840 0.122 0.000 0.804 261 L CB -0.140 42.002 42.059 0.138 0.000 0.937 261 L HN 0.548 nan 8.230 nan 0.000 0.450 262 T N -1.768 112.829 114.554 0.070 0.000 2.717 262 T HA 0.379 4.729 4.350 -0.000 0.000 0.315 262 T C -2.413 172.336 174.700 0.081 0.000 1.746 262 T CA -0.654 61.367 62.100 -0.132 0.000 1.001 262 T CB 1.196 69.932 68.868 -0.221 0.000 1.673 262 T HN 0.230 nan 8.240 nan 0.000 0.498 263 W N 0.505 121.741 121.300 -0.107 0.000 3.213 263 W HA 0.800 5.460 4.660 -0.000 0.000 0.318 263 W C -1.392 174.968 176.519 -0.265 0.000 1.248 263 W CA -0.874 56.311 57.345 -0.268 0.000 1.187 263 W CB 1.028 30.216 29.460 -0.453 0.000 1.403 263 W HN 0.638 nan 8.180 nan 0.000 0.556 264 S N 1.767 117.441 115.700 -0.043 0.000 2.596 264 S HA 0.342 4.811 4.470 -0.000 0.000 0.318 264 S C -1.629 172.989 174.600 0.030 0.000 1.097 264 S CA -0.458 57.727 58.200 -0.026 0.000 1.080 264 S CB 0.238 63.400 63.200 -0.062 0.000 0.991 264 S HN 0.660 nan 8.310 nan 0.000 0.471 265 H N 4.961 124.031 119.070 -0.001 0.000 2.762 265 H HA 0.519 5.075 4.556 -0.000 0.000 0.310 265 H C -1.042 174.315 175.328 0.048 0.000 1.004 265 H CA -0.339 55.725 56.048 0.026 0.000 1.267 265 H CB 0.367 30.177 29.762 0.079 0.000 1.437 265 H HN 0.780 nan 8.280 nan 0.000 0.498 266 N N 3.256 121.815 118.700 -0.236 0.000 2.629 266 N HA 0.444 5.184 4.740 -0.000 0.000 0.279 266 N C -1.172 174.186 175.510 -0.253 0.000 1.344 266 N CA -1.087 51.874 53.050 -0.148 0.000 0.789 266 N CB 2.289 40.715 38.487 -0.101 0.000 1.508 266 N HN 0.432 nan 8.380 nan 0.000 0.516 267 R N 0.843 121.233 120.500 -0.183 0.000 2.502 267 R HA 0.472 4.812 4.340 -0.000 0.000 0.298 267 R C -2.050 174.097 176.300 -0.255 0.000 1.018 267 R CA -0.550 55.422 56.100 -0.213 0.000 0.899 267 R CB 1.140 31.378 30.300 -0.102 0.000 1.181 267 R HN 0.421 nan 8.270 nan 0.000 0.444 268 V N 4.851 124.506 119.914 -0.432 0.000 2.350 268 V HA 0.306 4.425 4.120 -0.000 0.000 0.276 268 V C 0.131 176.066 176.094 -0.265 0.000 1.028 268 V CA -0.720 61.342 62.300 -0.397 0.000 0.860 268 V CB 1.256 32.690 31.823 -0.647 0.000 0.990 268 V HN 0.738 nan 8.190 nan 0.000 0.453 269 E N 2.673 122.780 120.200 -0.155 0.000 2.280 269 E HA 0.753 5.102 4.350 -0.000 0.000 0.261 269 E C 0.733 177.283 176.600 -0.084 0.000 1.088 269 E CA 0.418 56.755 56.400 -0.105 0.000 0.915 269 E CB 1.724 31.379 29.700 -0.075 0.000 1.141 269 E HN 0.924 nan 8.360 nan 0.000 0.433 270 G N 0.928 109.684 108.800 -0.072 0.000 2.501 270 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.213 270 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.213 270 G C 0.660 175.529 174.900 -0.053 0.000 1.158 270 G CA 0.145 45.213 45.100 -0.052 0.000 1.079 270 G HN 0.414 nan 8.290 nan 0.000 0.586 271 K N 0.017 120.407 120.400 -0.016 0.000 1.969 271 K HA -0.025 4.294 4.320 -0.000 0.000 0.223 271 K C 1.399 177.994 176.600 -0.009 0.000 1.048 271 K CA 1.561 57.848 56.287 0.001 0.000 0.983 271 K CB -0.236 32.282 32.500 0.029 0.000 0.738 271 K HN 0.417 nan 8.250 nan 0.000 0.446 272 Q N 0.861 120.690 119.800 0.047 0.000 2.221 272 Q HA 0.210 4.550 4.340 -0.000 0.000 0.242 272 Q C -1.222 174.869 176.000 0.151 0.000 0.940 272 Q CA -0.011 55.838 55.803 0.077 0.000 0.896 272 Q CB 1.963 30.762 28.738 0.102 0.000 1.226 272 Q HN 0.169 nan 8.270 nan 0.000 0.463 273 E N 1.620 121.925 120.200 0.174 0.000 2.260 273 E HA 0.472 4.822 4.350 -0.000 0.000 0.266 273 E C -1.923 174.799 176.600 0.202 0.000 0.887 273 E CA -0.503 55.949 56.400 0.086 0.000 0.777 273 E CB 0.924 30.592 29.700 -0.053 0.000 1.205 273 E HN 0.503 nan 8.360 nan 0.000 0.414 274 Y N -0.399 119.869 120.300 -0.055 0.000 2.527 274 Y HA 0.382 4.931 4.550 -0.000 0.000 0.328 274 Y C -1.536 174.328 175.900 -0.060 0.000 1.216 274 Y CA -1.171 56.897 58.100 -0.054 0.000 1.152 274 Y CB 0.773 39.188 38.460 -0.074 0.000 1.342 274 Y HN 0.166 nan 8.280 nan 0.000 0.465 275 T N 3.155 117.716 114.554 0.011 0.000 2.749 275 T HA 0.543 4.892 4.350 -0.000 0.000 0.287 275 T C -0.268 174.397 174.700 -0.059 0.000 0.970 275 T CA -0.428 61.629 62.100 -0.071 0.000 0.980 275 T CB 0.859 69.769 68.868 0.069 0.000 0.924 275 T HN 0.818 nan 8.240 nan 0.000 0.456 276 S N 3.723 119.338 115.700 -0.141 0.000 2.482 276 S HA 0.760 5.229 4.470 -0.000 0.000 0.303 276 S C -0.973 173.512 174.600 -0.192 0.000 1.091 276 S CA -0.929 57.214 58.200 -0.094 0.000 1.057 276 S CB 1.226 64.462 63.200 0.059 0.000 1.031 276 S HN 0.523 nan 8.310 nan 0.000 0.485 277 L N 3.848 124.994 121.223 -0.127 0.000 2.406 277 L HA 0.800 5.140 4.340 -0.000 0.000 0.272 277 L C -2.151 174.636 176.870 -0.139 0.000 0.980 277 L CA -0.570 54.231 54.840 -0.067 0.000 0.831 277 L CB 1.311 43.479 42.059 0.182 0.000 1.253 277 L HN 0.782 nan 8.230 nan 0.000 0.406 278 L N 5.678 126.764 121.223 -0.228 0.000 2.401 278 L HA 0.615 4.955 4.340 -0.000 0.000 0.266 278 L C -1.194 175.489 176.870 -0.312 0.000 0.991 278 L CA -0.274 54.450 54.840 -0.194 0.000 0.818 278 L CB 2.134 44.134 42.059 -0.097 0.000 1.321 278 L HN 0.466 nan 8.230 nan 0.000 0.413 279 Y N 2.004 122.321 120.300 0.027 0.000 2.524 279 Y HA 0.632 5.182 4.550 -0.000 0.000 0.344 279 Y C -0.148 175.702 175.900 -0.084 0.000 1.012 279 Y CA -0.820 57.251 58.100 -0.048 0.000 1.068 279 Y CB 2.254 40.566 38.460 -0.247 0.000 1.249 279 Y HN 0.290 nan 8.280 nan 0.000 0.468 280 I N 4.870 125.484 120.570 0.073 0.000 2.359 280 I HA 0.281 4.451 4.170 -0.000 0.000 0.284 280 I C -2.480 173.649 176.117 0.019 0.000 1.018 280 I CA -2.130 59.192 61.300 0.037 0.000 1.173 280 I CB 1.193 39.205 38.000 0.020 0.000 1.326 280 I HN 0.271 nan 8.210 nan 0.000 0.462 281 P HA 0.029 nan 4.420 nan 0.000 0.272 281 P C 0.592 178.091 177.300 0.332 0.000 1.248 281 P CA 0.069 63.255 63.100 0.144 0.000 0.799 281 P CB 0.591 32.479 31.700 0.313 0.000 0.997 282 S N -2.614 113.241 115.700 0.258 0.000 2.540 282 S HA 0.216 4.685 4.470 -0.000 0.000 0.222 282 S C 0.394 175.013 174.600 0.031 0.000 1.008 282 S CA 0.037 58.334 58.200 0.163 0.000 0.939 282 S CB -0.063 63.223 63.200 0.144 0.000 0.865 282 S HN 0.420 nan 8.310 nan 0.000 0.499 283 Q N 1.477 121.328 119.800 0.085 0.000 2.444 283 Q HA 0.655 4.995 4.340 -0.000 0.000 0.251 283 Q C -0.973 175.050 176.000 0.038 0.000 0.939 283 Q CA -0.158 55.638 55.803 -0.013 0.000 0.740 283 Q CB 1.660 30.429 28.738 0.051 0.000 1.308 283 Q HN 0.441 nan 8.270 nan 0.000 0.461 284 A N 5.133 127.886 122.820 -0.113 0.000 2.553 284 A HA 0.302 4.622 4.320 -0.000 0.000 0.258 284 A C -2.019 175.586 177.584 0.035 0.000 1.069 284 A CA -0.520 51.566 52.037 0.081 0.000 0.767 284 A CB -0.459 18.518 19.000 -0.038 0.000 0.997 284 A HN 0.535 nan 8.150 nan 0.000 0.512 285 P HA -0.009 nan 4.420 nan 0.000 0.285 285 P C 1.284 178.557 177.300 -0.046 0.000 1.282 285 P CA -0.284 62.768 63.100 -0.080 0.000 0.778 285 P CB 0.146 31.644 31.700 -0.338 0.000 1.222 286 W N 0.671 121.988 121.300 0.027 0.000 2.354 286 W HA -0.136 4.524 4.660 -0.000 0.000 0.315 286 W C 0.947 177.504 176.519 0.064 0.000 1.206 286 W CA 1.793 59.165 57.345 0.044 0.000 1.290 286 W CB -2.271 27.208 29.460 0.032 0.000 1.152 286 W HN 0.315 nan 8.180 nan 0.000 0.489 287 D N 0.053 120.178 120.400 -0.459 0.000 2.351 287 D HA -0.217 4.422 4.640 -0.000 0.000 0.216 287 D C 1.987 178.193 176.300 -0.158 0.000 0.968 287 D CA 1.034 54.854 54.000 -0.300 0.000 0.899 287 D CB -0.692 39.675 40.800 -0.723 0.000 0.907 287 D HN -0.147 nan 8.370 nan 0.000 0.514 288 M N -0.361 119.136 119.600 -0.171 0.000 2.147 288 M HA -0.196 4.284 4.480 -0.000 0.000 0.253 288 M C 0.444 176.544 176.300 -0.334 0.000 1.075 288 M CA 1.579 56.738 55.300 -0.235 0.000 1.085 288 M CB -0.683 31.833 32.600 -0.141 0.000 1.305 288 M HN 0.326 nan 8.290 nan 0.000 0.409 289 W N 1.072 122.352 121.300 -0.032 0.000 2.817 289 W HA 0.257 4.917 4.660 -0.000 0.000 0.433 289 W C -0.364 176.143 176.519 -0.020 0.000 0.838 289 W CA -0.512 56.813 57.345 -0.033 0.000 2.356 289 W CB 0.105 29.548 29.460 -0.029 0.000 1.216 289 W HN 0.119 nan 8.180 nan 0.000 0.793 290 N N 1.386 120.157 118.700 0.118 0.000 2.260 290 N HA 0.485 5.224 4.740 -0.000 0.000 0.293 290 N C -0.445 175.092 175.510 0.044 0.000 1.058 290 N CA -0.796 52.318 53.050 0.108 0.000 0.824 290 N CB 2.550 41.125 38.487 0.147 0.000 1.551 290 N HN 0.028 nan 8.380 nan 0.000 0.475 291 R N 0.688 121.214 120.500 0.043 0.000 3.948 291 R HA -0.183 4.157 4.340 -0.000 0.000 0.462 291 R C -1.074 175.210 176.300 -0.026 0.000 0.241 291 R CA 0.879 56.993 56.100 0.025 0.000 1.455 291 R CB -1.052 29.291 30.300 0.071 0.000 1.112 291 R HN 0.620 nan 8.270 nan 0.000 0.510 292 D N -0.247 120.134 120.400 -0.031 0.000 2.346 292 D HA 0.071 4.711 4.640 -0.000 0.000 0.206 292 D C 0.049 176.301 176.300 -0.080 0.000 1.001 292 D CA 0.886 54.844 54.000 -0.070 0.000 0.871 292 D CB -0.112 40.649 40.800 -0.064 0.000 0.943 292 D HN 0.441 nan 8.370 nan 0.000 0.518 293 H N 1.101 120.054 119.070 -0.194 0.000 3.342 293 H HA 0.198 4.753 4.556 -0.000 0.000 0.237 293 H C 0.146 175.113 175.328 -0.602 0.000 1.044 293 H CA -0.079 55.783 56.048 -0.310 0.000 1.436 293 H CB -0.163 29.489 29.762 -0.184 0.000 1.569 293 H HN -0.037 nan 8.280 nan 0.000 0.507 294 K N 4.091 124.211 120.400 -0.466 0.000 2.206 294 K HA 0.300 4.620 4.320 -0.000 0.000 0.264 294 K C -0.989 175.241 176.600 -0.616 0.000 0.967 294 K CA -0.560 55.359 56.287 -0.613 0.000 0.844 294 K CB 0.906 33.189 32.500 -0.361 0.000 1.099 294 K HN 0.761 nan 8.250 nan 0.000 0.441 295 H N 0.149 119.040 119.070 -0.299 0.000 4.843 295 H HA 0.664 5.220 4.556 -0.000 0.000 0.127 295 H C 1.808 177.020 175.328 -0.193 0.000 1.386 295 H CA 0.727 56.609 56.048 -0.277 0.000 1.034 295 H CB 0.152 29.697 29.762 -0.363 0.000 1.573 295 H HN 1.013 nan 8.280 nan 0.000 0.331 296 G N 1.248 110.043 108.800 -0.009 0.000 2.815 296 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.326 296 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.326 296 G C -0.021 174.838 174.900 -0.067 0.000 1.191 296 G CA 0.374 45.445 45.100 -0.048 0.000 0.965 296 G HN 0.391 nan 8.290 nan 0.000 0.564 297 L N 2.144 123.314 121.223 -0.089 0.000 2.700 297 L HA 0.114 4.454 4.340 -0.000 0.000 0.272 297 L C 0.777 177.540 176.870 -0.178 0.000 1.176 297 L CA 1.037 55.801 54.840 -0.127 0.000 0.961 297 L CB 0.076 42.063 42.059 -0.119 0.000 1.249 297 L HN 0.446 nan 8.230 nan 0.000 0.487 298 K N 4.412 124.678 120.400 -0.223 0.000 2.248 298 K HA 0.273 4.592 4.320 -0.000 0.000 0.281 298 K C -0.360 175.931 176.600 -0.515 0.000 1.054 298 K CA -0.719 55.339 56.287 -0.382 0.000 0.903 298 K CB 1.447 33.738 32.500 -0.349 0.000 1.077 298 K HN 0.264 nan 8.250 nan 0.000 0.474 299 L N 4.809 125.661 121.223 -0.618 0.000 2.255 299 L HA 0.307 4.647 4.340 -0.000 0.000 0.289 299 L C -1.469 175.007 176.870 -0.655 0.000 1.046 299 L CA -0.145 54.352 54.840 -0.570 0.000 0.816 299 L CB -0.073 41.710 42.059 -0.460 0.000 1.197 299 L HN 0.407 nan 8.230 nan 0.000 0.427 300 Y N 3.552 123.614 120.300 -0.397 0.000 2.387 300 Y HA 0.646 5.196 4.550 -0.000 0.000 0.330 300 Y C -0.042 175.789 175.900 -0.115 0.000 1.133 300 Y CA -0.617 57.341 58.100 -0.236 0.000 1.152 300 Y CB 2.014 40.382 38.460 -0.155 0.000 1.215 300 Y HN 0.295 nan 8.280 nan 0.000 0.466 301 V N 3.650 123.639 119.914 0.126 0.000 2.409 301 V HA 0.210 4.329 4.120 -0.000 0.000 0.290 301 V C -0.790 175.387 176.094 0.138 0.000 1.017 301 V CA -1.006 61.354 62.300 0.099 0.000 0.841 301 V CB 1.245 33.104 31.823 0.061 0.000 1.003 301 V HN 0.819 nan 8.190 nan 0.000 0.426 302 Q N 4.439 124.318 119.800 0.131 0.000 2.464 302 Q HA -0.211 4.129 4.340 -0.000 0.000 0.304 302 Q C 0.816 176.911 176.000 0.158 0.000 1.401 302 Q CA 0.725 56.600 55.803 0.120 0.000 0.806 302 Q CB -1.109 27.681 28.738 0.088 0.000 1.134 302 Q HN 0.987 nan 8.270 nan 0.000 0.411 303 R N -3.053 117.580 120.500 0.221 0.000 3.847 303 R HA -0.228 4.111 4.340 -0.000 0.000 0.304 303 R C -0.010 176.474 176.300 0.307 0.000 1.203 303 R CA 1.197 57.453 56.100 0.260 0.000 0.835 303 R CB -1.760 28.610 30.300 0.116 0.000 1.253 303 R HN 0.244 nan 8.270 nan 0.000 0.516 304 V N 0.227 120.351 119.914 0.351 0.000 2.769 304 V HA 0.424 4.544 4.120 -0.000 0.000 0.312 304 V C 0.158 176.580 176.094 0.546 0.000 1.058 304 V CA -0.822 61.713 62.300 0.392 0.000 0.952 304 V CB 1.686 33.650 31.823 0.235 0.000 1.019 304 V HN 0.130 nan 8.190 nan 0.000 0.445 305 F N 3.163 123.322 119.950 0.348 0.000 2.427 305 F HA 0.382 4.909 4.527 -0.000 0.000 0.352 305 F C 0.642 176.399 175.800 -0.070 0.000 1.100 305 F CA -0.104 57.898 58.000 0.003 0.000 1.191 305 F CB 0.613 39.642 39.000 0.048 0.000 1.128 305 F HN 0.297 nan 8.300 nan 0.000 0.533 306 I N 4.695 125.167 120.570 -0.164 0.000 4.728 306 I HA 0.123 4.293 4.170 -0.000 0.000 0.233 306 I C 0.337 176.549 176.117 0.158 0.000 1.004 306 I CA 0.397 61.712 61.300 0.024 0.000 1.677 306 I CB -0.390 37.552 38.000 -0.098 0.000 1.509 306 I HN 0.489 nan 8.210 nan 0.000 0.463 307 M N 0.440 119.978 119.600 -0.103 0.000 2.311 307 M HA 0.446 4.926 4.480 -0.000 0.000 0.325 307 M C -0.902 175.318 176.300 -0.132 0.000 1.061 307 M CA -0.578 54.762 55.300 0.067 0.000 0.957 307 M CB 2.048 34.664 32.600 0.028 0.000 1.646 307 M HN 0.084 nan 8.290 nan 0.000 0.434 308 D N 4.337 124.903 120.400 0.276 0.000 2.660 308 D HA -0.013 4.627 4.640 -0.000 0.000 0.253 308 D C -0.890 175.426 176.300 0.027 0.000 1.256 308 D CA 1.928 56.019 54.000 0.152 0.000 0.914 308 D CB 0.150 41.083 40.800 0.222 0.000 1.137 308 D HN 0.698 nan 8.370 nan 0.000 0.542 309 D N 0.872 121.237 120.400 -0.059 0.000 4.280 309 D HA -0.084 4.556 4.640 -0.000 0.000 0.225 309 D C -0.842 175.455 176.300 -0.005 0.000 1.273 309 D CA 0.399 54.383 54.000 -0.025 0.000 0.948 309 D CB -0.901 39.921 40.800 0.037 0.000 0.545 309 D HN 0.391 nan 8.370 nan 0.000 0.247 310 A N 2.870 125.694 122.820 0.005 0.000 2.304 310 A HA 0.595 4.915 4.320 -0.000 0.000 0.314 310 A C 0.372 177.967 177.584 0.017 0.000 1.187 310 A CA -0.864 51.208 52.037 0.058 0.000 0.810 310 A CB 0.696 19.839 19.000 0.239 0.000 1.183 310 A HN 0.334 nan 8.150 nan 0.000 0.487 311 E N 2.362 122.525 120.200 -0.062 0.000 2.003 311 E HA 0.419 4.769 4.350 -0.000 0.000 0.279 311 E C -0.080 176.429 176.600 -0.152 0.000 1.132 311 E CA -0.239 56.088 56.400 -0.121 0.000 0.888 311 E CB 0.734 30.337 29.700 -0.162 0.000 1.056 311 E HN 0.760 nan 8.360 nan 0.000 0.399 312 Q N 1.990 121.676 119.800 -0.190 0.000 1.830 312 Q HA 0.024 4.364 4.340 -0.000 0.000 0.149 312 Q C 0.122 175.816 176.000 -0.511 0.000 0.679 312 Q CA -0.081 55.499 55.803 -0.373 0.000 0.791 312 Q CB -0.091 28.356 28.738 -0.485 0.000 1.115 312 Q HN 0.622 nan 8.270 nan 0.000 0.327 313 F N 1.031 120.877 119.950 -0.173 0.000 2.663 313 F HA 0.419 4.946 4.527 -0.000 0.000 0.299 313 F C 0.109 175.786 175.800 -0.205 0.000 1.143 313 F CA 0.341 58.230 58.000 -0.185 0.000 1.387 313 F CB 0.644 39.530 39.000 -0.191 0.000 1.019 313 F HN -0.057 nan 8.300 nan 0.000 0.523 314 M N 1.669 121.199 119.600 -0.117 0.000 2.277 314 M HA 0.307 4.787 4.480 -0.000 0.000 0.282 314 M C -2.781 173.351 176.300 -0.279 0.000 1.074 314 M CA -1.810 53.359 55.300 -0.218 0.000 0.954 314 M CB 2.469 34.923 32.600 -0.245 0.000 1.672 314 M HN -0.230 nan 8.290 nan 0.000 0.471 315 P HA 0.257 nan 4.420 nan 0.000 0.272 315 P C 0.044 177.097 177.300 -0.412 0.000 1.223 315 P CA 0.041 62.940 63.100 -0.336 0.000 0.784 315 P CB 0.787 32.281 31.700 -0.343 0.000 0.923 316 N N 0.800 119.344 118.700 -0.261 0.000 2.137 316 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 316 N C 1.441 176.768 175.510 -0.306 0.000 1.017 316 N CA 1.511 54.404 53.050 -0.262 0.000 0.859 316 N CB -1.097 37.291 38.487 -0.165 0.000 1.002 316 N HN 0.643 nan 8.380 nan 0.000 0.428 317 Y N -0.583 119.561 120.300 -0.260 0.000 2.584 317 Y HA 0.330 4.880 4.550 -0.000 0.000 0.317 317 Y C 0.229 175.919 175.900 -0.351 0.000 1.208 317 Y CA 0.181 58.146 58.100 -0.226 0.000 1.299 317 Y CB -0.343 38.048 38.460 -0.115 0.000 1.047 317 Y HN -0.019 nan 8.280 nan 0.000 0.506 318 L N 1.591 122.268 121.223 -0.910 0.000 3.483 318 L HA 0.279 4.619 4.340 -0.000 0.000 0.327 318 L C 1.391 177.467 176.870 -1.323 0.000 1.318 318 L CA -0.228 53.791 54.840 -1.368 0.000 0.979 318 L CB 0.269 41.732 42.059 -0.993 0.000 1.404 318 L HN 0.178 nan 8.230 nan 0.000 0.615 319 R N 0.312 120.251 120.500 -0.935 0.000 2.346 319 R HA -0.030 4.310 4.340 -0.000 0.000 0.208 319 R C 1.071 177.052 176.300 -0.531 0.000 1.052 319 R CA 0.637 56.364 56.100 -0.621 0.000 1.116 319 R CB -0.587 29.431 30.300 -0.469 0.000 1.003 319 R HN 0.476 nan 8.270 nan 0.000 0.482 320 F N -1.210 118.509 119.950 -0.385 0.000 2.530 320 F HA 0.273 4.800 4.527 -0.000 0.000 0.292 320 F C 0.677 176.270 175.800 -0.343 0.000 1.109 320 F CA -0.940 56.781 58.000 -0.465 0.000 1.450 320 F CB -0.333 38.069 39.000 -0.997 0.000 1.114 320 F HN -0.288 nan 8.300 nan 0.000 0.560 321 V N 4.073 123.874 119.914 -0.187 0.000 2.583 321 V HA -0.040 4.080 4.120 -0.000 0.000 0.302 321 V C 0.153 176.228 176.094 -0.031 0.000 1.033 321 V CA 0.261 62.535 62.300 -0.043 0.000 1.194 321 V CB -0.642 31.079 31.823 -0.169 0.000 0.879 321 V HN 0.236 nan 8.190 nan 0.000 0.482 322 R N 2.906 123.450 120.500 0.074 0.000 2.782 322 R HA 0.921 5.261 4.340 -0.000 0.000 0.258 322 R C 0.530 176.940 176.300 0.183 0.000 1.055 322 R CA -0.109 56.068 56.100 0.129 0.000 1.065 322 R CB 1.419 31.880 30.300 0.268 0.000 1.172 322 R HN 0.984 nan 8.270 nan 0.000 0.510 323 G N -0.228 108.674 108.800 0.171 0.000 2.236 323 G HA2 0.212 4.172 3.960 -0.000 0.000 0.231 323 G HA3 0.212 4.172 3.960 -0.000 0.000 0.231 323 G C -2.007 172.895 174.900 0.003 0.000 1.334 323 G CA -0.225 44.975 45.100 0.168 0.000 1.137 323 G HN 0.658 nan 8.290 nan 0.000 0.482 324 L N -1.623 119.562 121.223 -0.063 0.000 2.592 324 L HA 0.843 5.182 4.340 -0.000 0.000 0.258 324 L C -1.279 175.443 176.870 -0.246 0.000 0.926 324 L CA -1.008 53.729 54.840 -0.172 0.000 0.885 324 L CB 0.993 42.950 42.059 -0.170 0.000 1.380 324 L HN 1.256 nan 8.230 nan 0.000 0.415 325 I N 2.373 122.769 120.570 -0.290 0.000 2.412 325 I HA 0.540 4.710 4.170 -0.000 0.000 0.296 325 I C -1.206 174.763 176.117 -0.247 0.000 0.987 325 I CA 0.234 61.371 61.300 -0.271 0.000 1.180 325 I CB 1.949 39.737 38.000 -0.354 0.000 1.340 325 I HN 0.879 nan 8.210 nan 0.000 0.455 326 D N 5.824 126.136 120.400 -0.147 0.000 2.464 326 D HA 0.201 4.840 4.640 -0.000 0.000 0.243 326 D C -0.662 175.678 176.300 0.068 0.000 1.104 326 D CA 0.023 54.008 54.000 -0.025 0.000 0.883 326 D CB 1.038 41.857 40.800 0.032 0.000 1.050 326 D HN 0.451 nan 8.370 nan 0.000 0.524 327 S N 1.933 117.645 115.700 0.020 0.000 2.565 327 S HA 0.535 5.005 4.470 -0.000 0.000 0.274 327 S C 0.217 174.864 174.600 0.079 0.000 1.309 327 S CA -0.457 57.778 58.200 0.058 0.000 1.043 327 S CB 0.445 63.628 63.200 -0.028 0.000 0.939 327 S HN 0.476 nan 8.310 nan 0.000 0.504 328 S N 2.786 118.536 115.700 0.082 0.000 2.747 328 S HA 0.544 5.013 4.470 -0.000 0.000 0.300 328 S C -0.156 174.474 174.600 0.050 0.000 1.121 328 S CA -0.612 57.624 58.200 0.060 0.000 0.995 328 S CB 0.845 64.068 63.200 0.039 0.000 1.113 328 S HN 0.779 nan 8.310 nan 0.000 0.547 329 D N -1.414 119.024 120.400 0.063 0.000 2.880 329 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 329 D C -0.472 175.913 176.300 0.141 0.000 1.059 329 D CA 0.899 54.968 54.000 0.115 0.000 1.019 329 D CB -0.812 39.951 40.800 -0.063 0.000 1.112 329 D HN 0.406 nan 8.370 nan 0.000 0.424 330 L N 2.275 123.551 121.223 0.088 0.000 2.260 330 L HA 0.313 4.652 4.340 -0.000 0.000 0.289 330 L C -1.934 174.987 176.870 0.086 0.000 1.057 330 L CA -1.451 53.433 54.840 0.074 0.000 0.811 330 L CB 0.819 42.904 42.059 0.042 0.000 1.184 330 L HN -0.261 nan 8.230 nan 0.000 0.429 331 P HA 0.012 nan 4.420 nan 0.000 0.264 331 P C -0.270 177.094 177.300 0.107 0.000 1.229 331 P CA -0.534 62.642 63.100 0.126 0.000 0.780 331 P CB 0.578 32.399 31.700 0.201 0.000 0.808 332 L N 4.075 125.348 121.223 0.083 0.000 2.558 332 L HA -0.104 4.236 4.340 -0.000 0.000 0.301 332 L C 1.155 178.067 176.870 0.069 0.000 1.267 332 L CA 1.872 56.753 54.840 0.068 0.000 0.854 332 L CB -0.785 41.306 42.059 0.054 0.000 1.103 332 L HN 0.762 nan 8.230 nan 0.000 0.522 333 N N 0.409 119.145 118.700 0.060 0.000 2.938 333 N HA -0.231 4.509 4.740 -0.000 0.000 0.195 333 N C -0.036 175.517 175.510 0.071 0.000 0.990 333 N CA 1.216 54.299 53.050 0.056 0.000 1.020 333 N CB -1.754 36.756 38.487 0.040 0.000 0.986 333 N HN 0.768 nan 8.380 nan 0.000 0.575 334 V N 0.393 120.358 119.914 0.086 0.000 2.843 334 V HA 0.382 4.501 4.120 -0.000 0.000 0.305 334 V C 0.544 176.673 176.094 0.059 0.000 1.120 334 V CA 1.270 63.620 62.300 0.082 0.000 1.254 334 V CB 0.886 32.755 31.823 0.076 0.000 0.901 334 V HN 0.644 nan 8.190 nan 0.000 0.503 335 S N 4.060 119.791 115.700 0.051 0.000 2.638 335 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 335 S C 0.733 175.345 174.600 0.020 0.000 1.157 335 S CA -0.400 57.822 58.200 0.036 0.000 0.826 335 S CB 1.805 65.024 63.200 0.031 0.000 1.139 335 S HN 0.820 nan 8.310 nan 0.000 0.474 336 R N 1.123 121.629 120.500 0.009 0.000 2.159 336 R HA -0.193 4.146 4.340 -0.000 0.000 0.249 336 R C 1.956 178.233 176.300 -0.038 0.000 1.136 336 R CA 2.461 58.549 56.100 -0.020 0.000 0.951 336 R CB -0.607 29.678 30.300 -0.025 0.000 0.876 336 R HN 0.716 nan 8.270 nan 0.000 0.440 337 E N 1.026 121.212 120.200 -0.023 0.000 2.035 337 E HA -0.241 4.109 4.350 -0.000 0.000 0.204 337 E C 2.067 178.652 176.600 -0.024 0.000 1.025 337 E CA 1.647 58.032 56.400 -0.024 0.000 0.835 337 E CB -0.657 29.038 29.700 -0.008 0.000 0.764 337 E HN 0.318 nan 8.360 nan 0.000 0.457 338 I N 1.652 122.221 120.570 -0.002 0.000 2.151 338 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 338 I C 2.801 178.897 176.117 -0.034 0.000 1.080 338 I CA 1.129 62.431 61.300 0.004 0.000 1.339 338 I CB -0.626 37.402 38.000 0.048 0.000 1.039 338 I HN 0.010 nan 8.210 nan 0.000 0.409 339 L N -0.462 120.737 121.223 -0.040 0.000 2.012 339 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 339 L C 2.492 179.290 176.870 -0.121 0.000 1.073 339 L CA 1.553 56.344 54.840 -0.082 0.000 0.748 339 L CB -0.527 41.470 42.059 -0.103 0.000 0.891 339 L HN 0.341 nan 8.230 nan 0.000 0.431 340 Q N -0.672 119.060 119.800 -0.113 0.000 2.515 340 Q HA -0.159 4.181 4.340 -0.000 0.000 0.212 340 Q C 0.805 176.751 176.000 -0.090 0.000 0.970 340 Q CA 0.668 56.400 55.803 -0.118 0.000 0.941 340 Q CB 0.241 28.916 28.738 -0.104 0.000 0.998 340 Q HN 0.457 nan 8.270 nan 0.000 0.518 341 D N -1.084 119.270 120.400 -0.077 0.000 2.379 341 D HA 0.010 4.649 4.640 -0.000 0.000 0.218 341 D C 0.542 176.793 176.300 -0.081 0.000 1.006 341 D CA 0.234 54.194 54.000 -0.068 0.000 0.893 341 D CB 0.171 40.942 40.800 -0.049 0.000 1.019 341 D HN 0.031 nan 8.370 nan 0.000 0.503 342 S N -0.707 114.936 115.700 -0.095 0.000 2.634 342 S HA 0.166 4.635 4.470 -0.000 0.000 0.261 342 S C 1.255 175.798 174.600 -0.096 0.000 1.271 342 S CA -0.029 58.109 58.200 -0.104 0.000 0.985 342 S CB 1.032 64.166 63.200 -0.110 0.000 0.968 342 S HN 0.093 nan 8.310 nan 0.000 0.568 343 T N 1.562 116.064 114.554 -0.086 0.000 3.039 343 T HA 0.045 4.394 4.350 -0.000 0.000 0.250 343 T C 1.904 176.558 174.700 -0.076 0.000 1.052 343 T CA 0.601 62.655 62.100 -0.076 0.000 1.125 343 T CB -0.395 68.438 68.868 -0.058 0.000 0.908 343 T HN 0.407 nan 8.240 nan 0.000 0.473 344 V N 2.572 122.447 119.914 -0.065 0.000 2.363 344 V HA -0.277 3.843 4.120 -0.000 0.000 0.254 344 V C 2.760 178.811 176.094 -0.071 0.000 1.074 344 V CA 2.295 64.565 62.300 -0.049 0.000 1.069 344 V CB -1.329 30.477 31.823 -0.028 0.000 0.659 344 V HN 0.561 nan 8.190 nan 0.000 0.455 345 T N -0.632 113.853 114.554 -0.116 0.000 2.595 345 T HA -0.291 4.059 4.350 -0.000 0.000 0.264 345 T C 1.978 176.553 174.700 -0.207 0.000 1.058 345 T CA 1.954 63.921 62.100 -0.222 0.000 1.166 345 T CB -0.320 68.366 68.868 -0.304 0.000 0.863 345 T HN 0.376 nan 8.240 nan 0.000 0.415 346 R N 1.274 121.676 120.500 -0.164 0.000 2.159 346 R HA -0.202 4.138 4.340 -0.000 0.000 0.249 346 R C 2.351 178.591 176.300 -0.100 0.000 1.136 346 R CA 2.075 58.097 56.100 -0.130 0.000 0.951 346 R CB -0.456 29.787 30.300 -0.096 0.000 0.876 346 R HN 0.242 nan 8.270 nan 0.000 0.440 347 N N -0.097 118.557 118.700 -0.076 0.000 2.080 347 N HA -0.128 4.612 4.740 -0.000 0.000 0.189 347 N C 1.744 177.223 175.510 -0.052 0.000 1.036 347 N CA 1.342 54.364 53.050 -0.048 0.000 0.846 347 N CB -0.270 38.200 38.487 -0.029 0.000 1.015 347 N HN 0.209 nan 8.380 nan 0.000 0.423 348 L N 0.962 122.144 121.223 -0.069 0.000 1.989 348 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 348 L C 2.596 179.441 176.870 -0.042 0.000 1.071 348 L CA 1.289 56.074 54.840 -0.091 0.000 0.749 348 L CB -0.279 41.761 42.059 -0.032 0.000 0.890 348 L HN 0.193 nan 8.230 nan 0.000 0.431 349 R N 0.219 120.692 120.500 -0.046 0.000 2.154 349 R HA -0.298 4.042 4.340 -0.000 0.000 0.236 349 R C 1.997 178.261 176.300 -0.060 0.000 1.121 349 R CA 2.835 58.891 56.100 -0.072 0.000 0.915 349 R CB -0.562 29.640 30.300 -0.162 0.000 0.856 349 R HN 0.446 nan 8.270 nan 0.000 0.431 350 N N -0.625 118.040 118.700 -0.059 0.000 2.060 350 N HA -0.249 4.490 4.740 -0.000 0.000 0.195 350 N C 1.817 177.320 175.510 -0.012 0.000 1.028 350 N CA 1.492 54.521 53.050 -0.035 0.000 0.861 350 N CB -0.266 38.205 38.487 -0.027 0.000 1.029 350 N HN 0.442 nan 8.380 nan 0.000 0.428 351 A N 1.285 124.106 122.820 0.002 0.000 1.873 351 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 351 A C 2.183 179.788 177.584 0.036 0.000 1.193 351 A CA 1.325 53.385 52.037 0.038 0.000 0.629 351 A CB -0.969 18.083 19.000 0.086 0.000 0.826 351 A HN 0.228 nan 8.150 nan 0.000 0.447 352 L N -0.923 120.308 121.223 0.014 0.000 2.046 352 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 352 L C 2.839 179.691 176.870 -0.030 0.000 1.077 352 L CA 1.828 56.668 54.840 0.000 0.000 0.747 352 L CB -1.018 41.027 42.059 -0.024 0.000 0.896 352 L HN 0.389 nan 8.230 nan 0.000 0.432 353 T N -0.503 114.021 114.554 -0.051 0.000 2.699 353 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 353 T C 1.880 176.573 174.700 -0.012 0.000 1.036 353 T CA 1.835 63.894 62.100 -0.068 0.000 1.147 353 T CB -0.164 68.667 68.868 -0.063 0.000 0.862 353 T HN 0.264 nan 8.240 nan 0.000 0.446 354 K N 0.569 120.975 120.400 0.010 0.000 2.020 354 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 354 K C 2.509 179.117 176.600 0.013 0.000 1.050 354 K CA 1.414 57.715 56.287 0.024 0.000 0.929 354 K CB -0.083 32.433 32.500 0.026 0.000 0.714 354 K HN -0.055 nan 8.250 nan 0.000 0.443 355 R N 0.648 121.152 120.500 0.006 0.000 2.091 355 R HA -0.073 4.266 4.340 -0.000 0.000 0.238 355 R C 2.069 178.358 176.300 -0.018 0.000 1.136 355 R CA 1.444 57.541 56.100 -0.005 0.000 0.959 355 R CB -0.849 29.451 30.300 0.001 0.000 0.856 355 R HN 0.169 nan 8.270 nan 0.000 0.437 356 V N 0.620 120.520 119.914 -0.023 0.000 2.261 356 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 356 V C 2.393 178.489 176.094 0.004 0.000 1.047 356 V CA 1.920 64.207 62.300 -0.023 0.000 1.015 356 V CB -0.471 31.321 31.823 -0.051 0.000 0.642 356 V HN 0.276 nan 8.190 nan 0.000 0.446 357 L N -0.686 120.554 121.223 0.029 0.000 2.042 357 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 357 L C 2.728 179.612 176.870 0.023 0.000 1.076 357 L CA 1.755 56.634 54.840 0.064 0.000 0.749 357 L CB -0.599 41.519 42.059 0.098 0.000 0.893 357 L HN 0.407 nan 8.230 nan 0.000 0.432 358 Q N -0.686 119.117 119.800 0.004 0.000 2.045 358 Q HA -0.313 4.026 4.340 -0.000 0.000 0.206 358 Q C 2.277 178.245 176.000 -0.052 0.000 0.991 358 Q CA 2.144 57.935 55.803 -0.020 0.000 0.851 358 Q CB -0.262 28.464 28.738 -0.020 0.000 0.911 358 Q HN 0.480 nan 8.270 nan 0.000 0.418 359 M N 0.407 119.971 119.600 -0.060 0.000 2.144 359 M HA -0.236 4.244 4.480 -0.000 0.000 0.260 359 M C 1.832 178.059 176.300 -0.122 0.000 1.067 359 M CA 1.468 56.710 55.300 -0.097 0.000 1.095 359 M CB 0.015 32.560 32.600 -0.092 0.000 1.365 359 M HN 0.225 nan 8.290 nan 0.000 0.406 360 L N -0.219 120.943 121.223 -0.101 0.000 1.988 360 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 360 L C 2.542 179.313 176.870 -0.164 0.000 1.071 360 L CA 1.279 56.039 54.840 -0.134 0.000 0.744 360 L CB -0.866 41.155 42.059 -0.064 0.000 0.893 360 L HN 0.292 nan 8.230 nan 0.000 0.433 361 E N 0.326 120.457 120.200 -0.115 0.000 2.113 361 E HA -0.359 3.991 4.350 -0.000 0.000 0.210 361 E C 2.103 178.591 176.600 -0.187 0.000 1.040 361 E CA 1.881 58.196 56.400 -0.142 0.000 0.847 361 E CB -0.258 29.400 29.700 -0.069 0.000 0.755 361 E HN 0.381 nan 8.360 nan 0.000 0.459 362 K N 0.597 120.908 120.400 -0.149 0.000 2.057 362 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 362 K C 2.315 178.809 176.600 -0.176 0.000 1.049 362 K CA 0.772 56.972 56.287 -0.145 0.000 0.931 362 K CB -0.199 32.224 32.500 -0.127 0.000 0.714 362 K HN 0.006 nan 8.250 nan 0.000 0.440 363 L N 1.168 122.275 121.223 -0.193 0.000 2.129 363 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 363 L C 2.026 178.757 176.870 -0.232 0.000 1.087 363 L CA 2.099 56.838 54.840 -0.168 0.000 0.757 363 L CB -0.674 41.321 42.059 -0.106 0.000 0.896 363 L HN 0.242 nan 8.230 nan 0.000 0.434 364 A N -1.772 120.775 122.820 -0.455 0.000 2.123 364 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 364 A C 2.195 179.597 177.584 -0.304 0.000 1.152 364 A CA 0.701 52.351 52.037 -0.645 0.000 0.728 364 A CB -0.309 18.108 19.000 -0.972 0.000 0.814 364 A HN 0.357 nan 8.150 nan 0.000 0.464 365 K N -0.389 119.885 120.400 -0.210 0.000 2.243 365 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 365 K C 0.262 176.807 176.600 -0.092 0.000 1.051 365 K CA 1.106 57.318 56.287 -0.126 0.000 0.970 365 K CB 0.083 32.522 32.500 -0.101 0.000 0.755 365 K HN 0.333 nan 8.250 nan 0.000 0.465 366 D N -0.348 119.994 120.400 -0.097 0.000 2.454 366 D HA -0.008 4.632 4.640 -0.000 0.000 0.214 366 D C -0.227 176.047 176.300 -0.044 0.000 1.088 366 D CA 0.456 54.415 54.000 -0.069 0.000 0.855 366 D CB 0.678 41.426 40.800 -0.086 0.000 1.025 366 D HN -0.016 nan 8.370 nan 0.000 0.502 367 D N -0.350 120.030 120.400 -0.032 0.000 3.449 367 D HA 0.190 4.830 4.640 -0.000 0.000 0.262 367 D C 0.827 177.164 176.300 0.062 0.000 1.343 367 D CA -0.144 53.862 54.000 0.011 0.000 0.787 367 D CB -0.027 40.779 40.800 0.011 0.000 1.412 367 D HN -0.073 nan 8.370 nan 0.000 0.652 368 A N 0.665 123.516 122.820 0.052 0.000 2.076 368 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 368 A C 1.895 179.568 177.584 0.148 0.000 1.160 368 A CA 1.915 54.021 52.037 0.114 0.000 0.653 368 A CB -0.190 18.846 19.000 0.061 0.000 0.801 368 A HN 0.448 nan 8.150 nan 0.000 0.455 369 E N 0.673 120.932 120.200 0.099 0.000 2.007 369 E HA -0.241 4.109 4.350 -0.000 0.000 0.203 369 E C 1.881 178.549 176.600 0.113 0.000 1.020 369 E CA 2.277 58.732 56.400 0.091 0.000 0.845 369 E CB -0.351 29.389 29.700 0.066 0.000 0.779 369 E HN 0.556 nan 8.360 nan 0.000 0.466 370 K N -1.063 119.405 120.400 0.113 0.000 2.032 370 K HA -0.214 4.105 4.320 -0.000 0.000 0.209 370 K C 2.367 179.073 176.600 0.176 0.000 1.048 370 K CA 1.559 57.920 56.287 0.123 0.000 0.927 370 K CB -0.546 32.017 32.500 0.104 0.000 0.712 370 K HN 0.256 nan 8.250 nan 0.000 0.441 371 Y N 2.257 122.606 120.300 0.082 0.000 2.165 371 Y HA -0.309 4.241 4.550 -0.001 0.000 0.286 371 Y C 2.389 178.438 175.900 0.248 0.000 1.155 371 Y CA 1.561 59.739 58.100 0.131 0.000 1.164 371 Y CB -0.161 38.327 38.460 0.046 0.000 0.978 371 Y HN 0.087 nan 8.280 nan 0.000 0.513 372 Q N -0.217 119.685 119.800 0.171 0.000 2.096 372 Q HA -0.203 4.137 4.340 -0.000 0.000 0.208 372 Q C 2.200 178.237 176.000 0.063 0.000 0.993 372 Q CA 2.498 58.362 55.803 0.103 0.000 0.862 372 Q CB -1.018 27.788 28.738 0.112 0.000 0.915 372 Q HN 0.560 nan 8.270 nan 0.000 0.416 373 T N 0.931 115.523 114.554 0.063 0.000 2.759 373 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 373 T C 1.494 176.168 174.700 -0.043 0.000 1.042 373 T CA 1.247 63.355 62.100 0.014 0.000 1.140 373 T CB -0.497 68.396 68.868 0.042 0.000 0.864 373 T HN 0.312 nan 8.240 nan 0.000 0.455 374 F N 1.071 120.938 119.950 -0.137 0.000 2.046 374 F HA -0.136 4.391 4.527 -0.001 0.000 0.297 374 F C 2.308 177.977 175.800 -0.218 0.000 1.123 374 F CA 1.383 59.285 58.000 -0.163 0.000 1.199 374 F CB -0.446 38.433 39.000 -0.203 0.000 0.972 374 F HN 0.240 nan 8.300 nan 0.000 0.474 375 W N 1.547 122.576 121.300 -0.452 0.000 2.374 375 W HA -0.202 4.458 4.660 -0.000 0.000 0.288 375 W C 2.192 178.485 176.519 -0.377 0.000 1.218 375 W CA 1.765 58.825 57.345 -0.475 0.000 1.245 375 W CB -0.648 28.637 29.460 -0.291 0.000 1.126 375 W HN 0.257 nan 8.180 nan 0.000 0.545 376 Q N -0.057 119.647 119.800 -0.159 0.000 2.077 376 Q HA -0.289 4.051 4.340 -0.000 0.000 0.206 376 Q C 2.364 178.109 176.000 -0.424 0.000 0.989 376 Q CA 2.371 58.045 55.803 -0.216 0.000 0.853 376 Q CB -0.299 28.363 28.738 -0.126 0.000 0.907 376 Q HN 0.176 nan 8.270 nan 0.000 0.418 377 Q N -1.701 117.718 119.800 -0.635 0.000 2.212 377 Q HA 0.025 4.365 4.340 -0.000 0.000 0.199 377 Q C 1.062 176.402 176.000 -1.100 0.000 0.950 377 Q CA 1.065 56.303 55.803 -0.942 0.000 0.863 377 Q CB 0.478 28.409 28.738 -1.344 0.000 0.944 377 Q HN 0.428 nan 8.270 nan 0.000 0.465 378 F N -2.056 117.428 119.950 -0.777 0.000 2.831 378 F HA 0.263 4.790 4.527 -0.000 0.000 0.334 378 F C 1.904 177.228 175.800 -0.794 0.000 1.071 378 F CA -0.045 57.465 58.000 -0.817 0.000 1.172 378 F CB 0.238 38.399 39.000 -1.398 0.000 1.054 378 F HN 0.035 nan 8.300 nan 0.000 0.572 379 G N 1.392 109.577 108.800 -1.025 0.000 2.505 379 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 379 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 379 G C 1.596 175.991 174.900 -0.841 0.000 1.145 379 G CA 1.073 45.188 45.100 -1.643 0.000 0.761 379 G HN 0.240 nan 8.290 nan 0.000 0.571 380 L N 0.720 121.664 121.223 -0.464 0.000 2.187 380 L HA -0.012 4.328 4.340 -0.000 0.000 0.213 380 L C 2.816 179.772 176.870 0.144 0.000 1.100 380 L CA 1.172 55.948 54.840 -0.106 0.000 0.765 380 L CB -0.296 41.760 42.059 -0.004 0.000 0.904 380 L HN 0.135 nan 8.230 nan 0.000 0.437 381 V N -1.549 118.448 119.914 0.139 0.000 2.379 381 V HA -0.145 3.975 4.120 -0.000 0.000 0.243 381 V C 2.228 178.413 176.094 0.152 0.000 1.035 381 V CA 0.907 63.299 62.300 0.153 0.000 1.035 381 V CB -0.461 31.420 31.823 0.096 0.000 0.673 381 V HN 0.329 nan 8.190 nan 0.000 0.457 382 L N 0.325 121.639 121.223 0.151 0.000 2.353 382 L HA -0.074 4.266 4.340 -0.000 0.000 0.220 382 L C 2.098 179.069 176.870 0.168 0.000 1.133 382 L CA 1.735 56.735 54.840 0.267 0.000 0.798 382 L CB -0.871 41.384 42.059 0.328 0.000 0.922 382 L HN 0.244 nan 8.230 nan 0.000 0.445 383 K N -0.851 119.598 120.400 0.081 0.000 2.486 383 K HA -0.101 4.219 4.320 -0.000 0.000 0.194 383 K C 1.685 178.329 176.600 0.073 0.000 1.033 383 K CA 0.451 56.797 56.287 0.099 0.000 1.004 383 K CB 0.170 32.722 32.500 0.087 0.000 0.798 383 K HN 0.421 nan 8.250 nan 0.000 0.495 384 E N 0.098 120.332 120.200 0.058 0.000 2.072 384 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 384 E C 2.037 178.571 176.600 -0.110 0.000 0.985 384 E CA 0.917 57.315 56.400 -0.003 0.000 0.801 384 E CB -0.111 29.603 29.700 0.023 0.000 0.750 384 E HN 0.402 nan 8.360 nan 0.000 0.452 385 G N 1.945 110.610 108.800 -0.226 0.000 2.649 385 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 385 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 385 G C -0.873 173.736 174.900 -0.484 0.000 1.189 385 G CA 1.266 45.863 45.100 -0.839 0.000 0.777 385 G HN 0.296 nan 8.290 nan 0.000 0.602 386 P HA 0.002 nan 4.420 nan 0.000 0.219 386 P C 1.667 178.952 177.300 -0.026 0.000 1.146 386 P CA 1.817 64.887 63.100 -0.050 0.000 0.808 386 P CB -0.104 31.615 31.700 0.031 0.000 0.779 387 A N -1.090 121.650 122.820 -0.134 0.000 2.275 387 A HA 0.064 4.383 4.320 -0.000 0.000 0.212 387 A C 1.336 178.781 177.584 -0.232 0.000 1.201 387 A CA 0.680 52.495 52.037 -0.369 0.000 0.843 387 A CB -0.382 18.535 19.000 -0.138 0.000 0.873 387 A HN 0.122 nan 8.150 nan 0.000 0.492 388 E N -1.183 118.862 120.200 -0.259 0.000 2.858 388 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 388 E C -1.253 175.123 176.600 -0.373 0.000 0.952 388 E CA 0.028 56.247 56.400 -0.302 0.000 1.294 388 E CB 0.582 30.187 29.700 -0.159 0.000 1.048 388 E HN 0.446 nan 8.360 nan 0.000 0.485 389 D N -0.654 119.455 120.400 -0.485 0.000 3.198 389 D HA 0.060 4.700 4.640 -0.000 0.000 0.237 389 D C 0.033 176.195 176.300 -0.230 0.000 1.468 389 D CA -0.154 53.616 54.000 -0.383 0.000 0.948 389 D CB -0.502 40.236 40.800 -0.104 0.000 1.479 389 D HN -0.018 nan 8.370 nan 0.000 0.611 390 F N 1.143 121.071 119.950 -0.036 0.000 2.307 390 F HA -0.027 4.500 4.527 -0.000 0.000 0.301 390 F C 2.555 178.361 175.800 0.009 0.000 1.076 390 F CA 0.490 58.484 58.000 -0.010 0.000 1.383 390 F CB -0.126 38.883 39.000 0.015 0.000 1.055 390 F HN 0.394 nan 8.300 nan 0.000 0.526 391 A N 0.500 123.388 122.820 0.112 0.000 2.225 391 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 391 A C 1.151 178.786 177.584 0.085 0.000 1.164 391 A CA 1.694 53.785 52.037 0.090 0.000 0.710 391 A CB -0.788 18.238 19.000 0.044 0.000 0.780 391 A HN 0.579 nan 8.150 nan 0.000 0.473 392 N N -2.337 116.414 118.700 0.084 0.000 2.167 392 N HA 0.079 4.819 4.740 -0.000 0.000 0.234 392 N C 1.032 176.595 175.510 0.088 0.000 1.312 392 N CA 0.098 53.199 53.050 0.085 0.000 0.861 392 N CB 0.136 38.678 38.487 0.092 0.000 1.217 392 N HN 0.463 nan 8.380 nan 0.000 0.504 393 Q N 1.409 121.270 119.800 0.101 0.000 2.268 393 Q HA -0.255 4.084 4.340 -0.000 0.000 0.210 393 Q C 1.624 177.699 176.000 0.125 0.000 0.988 393 Q CA 1.575 57.440 55.803 0.104 0.000 0.883 393 Q CB 0.180 29.003 28.738 0.143 0.000 0.911 393 Q HN 0.445 nan 8.270 nan 0.000 0.430 394 E N -0.581 119.704 120.200 0.141 0.000 1.998 394 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 394 E C 1.729 178.422 176.600 0.155 0.000 1.003 394 E CA 1.062 57.568 56.400 0.178 0.000 0.829 394 E CB -0.228 29.564 29.700 0.154 0.000 0.777 394 E HN 0.453 nan 8.360 nan 0.000 0.460 395 A N 0.854 123.749 122.820 0.124 0.000 2.186 395 A HA -0.134 4.185 4.320 -0.000 0.000 0.219 395 A C 2.044 179.696 177.584 0.113 0.000 1.159 395 A CA 0.847 52.950 52.037 0.109 0.000 0.680 395 A CB -0.529 18.525 19.000 0.091 0.000 0.787 395 A HN 0.301 nan 8.150 nan 0.000 0.467 396 I N -0.817 119.822 120.570 0.114 0.000 2.206 396 I HA -0.188 3.982 4.170 -0.000 0.000 0.239 396 I C 3.006 179.186 176.117 0.106 0.000 1.078 396 I CA 0.995 62.369 61.300 0.122 0.000 1.367 396 I CB -0.629 37.407 38.000 0.060 0.000 1.078 396 I HN 0.350 nan 8.210 nan 0.000 0.413 397 A N 1.171 124.039 122.820 0.080 0.000 1.948 397 A HA -0.266 4.053 4.320 -0.000 0.000 0.220 397 A C 2.263 179.801 177.584 -0.077 0.000 1.177 397 A CA 1.882 53.933 52.037 0.024 0.000 0.636 397 A CB -0.592 18.431 19.000 0.039 0.000 0.815 397 A HN 0.364 nan 8.150 nan 0.000 0.449 398 K N -0.531 119.848 120.400 -0.035 0.000 2.044 398 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 398 K C 1.809 178.381 176.600 -0.046 0.000 1.049 398 K CA 1.556 57.812 56.287 -0.052 0.000 0.927 398 K CB -0.436 32.098 32.500 0.057 0.000 0.713 398 K HN 0.479 nan 8.250 nan 0.000 0.443 399 L N 1.278 122.525 121.223 0.039 0.000 2.265 399 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 399 L C 1.118 178.046 176.870 0.097 0.000 1.117 399 L CA 0.219 55.142 54.840 0.138 0.000 0.782 399 L CB -0.314 41.908 42.059 0.272 0.000 0.914 399 L HN 0.163 nan 8.230 nan 0.000 0.441 400 L N 0.197 121.396 121.223 -0.040 0.000 2.483 400 L HA 0.002 4.342 4.340 -0.000 0.000 0.277 400 L C 0.217 176.494 176.870 -0.988 0.000 1.248 400 L CA 0.509 55.126 54.840 -0.372 0.000 0.825 400 L CB 0.125 42.039 42.059 -0.242 0.000 1.096 400 L HN 0.162 nan 8.230 nan 0.000 0.512 401 R N 1.521 120.884 120.500 -1.896 0.000 2.643 401 R HA 0.591 4.931 4.340 -0.000 0.000 0.269 401 R C -1.532 173.990 176.300 -1.298 0.000 1.037 401 R CA -0.794 54.370 56.100 -1.561 0.000 0.894 401 R CB 1.821 30.997 30.300 -1.873 0.000 1.238 401 R HN 0.350 nan 8.270 nan 0.000 0.459 402 F N -0.450 119.389 119.950 -0.185 0.000 2.664 402 F HA 0.747 5.274 4.527 -0.000 0.000 0.317 402 F C -0.010 175.839 175.800 0.082 0.000 1.108 402 F CA -1.192 56.825 58.000 0.028 0.000 0.957 402 F CB 1.920 40.945 39.000 0.041 0.000 1.365 402 F HN 0.539 nan 8.300 nan 0.000 0.475 403 A N 0.925 123.968 122.820 0.370 0.000 2.312 403 A HA 0.838 5.158 4.320 -0.000 0.000 0.326 403 A C -0.487 177.242 177.584 0.242 0.000 1.172 403 A CA -0.113 52.106 52.037 0.303 0.000 0.821 403 A CB 0.991 20.224 19.000 0.389 0.000 1.166 403 A HN 0.892 nan 8.150 nan 0.000 0.493 404 S N -0.284 115.541 115.700 0.207 0.000 2.705 404 S HA 0.557 5.027 4.470 -0.000 0.000 0.280 404 S C 0.990 175.668 174.600 0.129 0.000 1.174 404 S CA 0.248 58.541 58.200 0.155 0.000 0.823 404 S CB 0.504 63.822 63.200 0.198 0.000 1.162 404 S HN 1.403 nan 8.310 nan 0.000 0.487 405 T N -1.337 113.265 114.554 0.081 0.000 2.720 405 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 405 T C 1.091 175.895 174.700 0.174 0.000 1.037 405 T CA 1.759 63.901 62.100 0.070 0.000 1.144 405 T CB -1.287 67.577 68.868 -0.007 0.000 0.864 405 T HN 0.783 nan 8.240 nan 0.000 0.444 406 H N 1.464 120.582 119.070 0.080 0.000 2.787 406 H HA 0.258 4.813 4.556 -0.001 0.000 0.302 406 H C -0.400 174.977 175.328 0.081 0.000 1.098 406 H CA -0.348 55.739 56.048 0.066 0.000 1.192 406 H CB -0.213 29.577 29.762 0.048 0.000 1.316 406 H HN 0.299 nan 8.280 nan 0.000 0.590 407 T N 1.451 116.133 114.554 0.214 0.000 3.348 407 T HA -0.012 4.338 4.350 -0.000 0.000 0.328 407 T C -0.843 173.970 174.700 0.189 0.000 0.913 407 T CA -1.062 61.143 62.100 0.176 0.000 1.043 407 T CB 0.755 69.731 68.868 0.180 0.000 1.021 407 T HN 0.309 nan 8.240 nan 0.000 0.461 408 D N 2.084 122.575 120.400 0.152 0.000 2.600 408 D HA 0.361 5.001 4.640 -0.000 0.000 0.226 408 D C 0.153 176.535 176.300 0.136 0.000 1.119 408 D CA -0.486 53.609 54.000 0.158 0.000 1.051 408 D CB -0.331 40.536 40.800 0.111 0.000 1.106 408 D HN 0.416 nan 8.370 nan 0.000 0.491 409 S N -1.343 114.460 115.700 0.173 0.000 2.548 409 S HA 0.279 4.749 4.470 -0.000 0.000 0.278 409 S C 0.669 175.227 174.600 -0.070 0.000 1.150 409 S CA -0.637 57.590 58.200 0.044 0.000 0.907 409 S CB 1.473 64.700 63.200 0.046 0.000 1.108 409 S HN 0.033 nan 8.310 nan 0.000 0.459 410 S N 2.048 117.480 115.700 -0.448 0.000 2.380 410 S HA -0.043 4.427 4.470 -0.000 0.000 0.229 410 S C 1.225 175.708 174.600 -0.196 0.000 1.043 410 S CA 1.324 59.022 58.200 -0.837 0.000 1.038 410 S CB -1.056 61.799 63.200 -0.575 0.000 0.872 410 S HN 1.600 nan 8.310 nan 0.000 0.456 411 A N 1.544 124.330 122.820 -0.057 0.000 2.507 411 A HA 0.334 4.654 4.320 -0.000 0.000 0.235 411 A C 0.130 177.795 177.584 0.135 0.000 1.070 411 A CA -0.149 51.918 52.037 0.050 0.000 0.768 411 A CB 0.033 19.058 19.000 0.041 0.000 1.011 411 A HN 0.729 nan 8.150 nan 0.000 0.502 412 Q N 0.332 120.230 119.800 0.163 0.000 2.322 412 Q HA 0.573 4.913 4.340 -0.000 0.000 0.265 412 Q C -0.268 175.766 176.000 0.056 0.000 0.985 412 Q CA -0.174 55.729 55.803 0.166 0.000 0.849 412 Q CB 1.136 30.019 28.738 0.241 0.000 1.274 412 Q HN 0.712 nan 8.270 nan 0.000 0.449 413 T N -2.711 111.868 114.554 0.041 0.000 3.186 413 T HA 0.167 4.516 4.350 -0.000 0.000 0.292 413 T C 0.100 174.802 174.700 0.003 0.000 0.915 413 T CA -0.136 61.964 62.100 0.001 0.000 0.902 413 T CB 0.290 69.189 68.868 0.051 0.000 1.192 413 T HN 0.323 nan 8.240 nan 0.000 0.563 414 V N 3.139 123.079 119.914 0.043 0.000 2.405 414 V HA 0.501 4.621 4.120 -0.000 0.000 0.264 414 V C 0.765 176.898 176.094 0.064 0.000 1.048 414 V CA -0.436 61.928 62.300 0.106 0.000 0.966 414 V CB 0.805 32.756 31.823 0.213 0.000 1.015 414 V HN 0.583 nan 8.190 nan 0.000 0.477 415 S N 4.689 120.416 115.700 0.044 0.000 2.576 415 S HA 0.278 4.748 4.470 -0.000 0.000 0.276 415 S C 1.220 175.884 174.600 0.106 0.000 1.339 415 S CA -0.612 57.597 58.200 0.015 0.000 1.039 415 S CB 0.630 63.836 63.200 0.010 0.000 0.902 415 S HN 0.643 nan 8.310 nan 0.000 0.516 416 L N 3.149 124.389 121.223 0.028 0.000 2.083 416 L HA -0.087 4.252 4.340 -0.000 0.000 0.209 416 L C 2.500 179.501 176.870 0.218 0.000 1.083 416 L CA 1.333 56.175 54.840 0.002 0.000 0.752 416 L CB -0.639 41.093 42.059 -0.546 0.000 0.899 416 L HN 0.780 nan 8.230 nan 0.000 0.433 417 E N 0.230 120.558 120.200 0.212 0.000 2.049 417 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 417 E C 1.592 178.325 176.600 0.222 0.000 1.007 417 E CA 1.528 58.105 56.400 0.294 0.000 0.809 417 E CB -0.383 29.433 29.700 0.194 0.000 0.749 417 E HN 0.516 nan 8.360 nan 0.000 0.450 418 D N -0.129 120.373 120.400 0.169 0.000 2.265 418 D HA -0.149 4.491 4.640 -0.000 0.000 0.208 418 D C 1.628 178.034 176.300 0.177 0.000 0.977 418 D CA 0.750 54.836 54.000 0.144 0.000 0.871 418 D CB -0.324 40.549 40.800 0.121 0.000 0.925 418 D HN 0.274 nan 8.370 nan 0.000 0.485 419 Y N 0.974 121.337 120.300 0.105 0.000 2.138 419 Y HA -0.155 4.395 4.550 -0.000 0.000 0.286 419 Y C 2.302 178.251 175.900 0.082 0.000 1.115 419 Y CA 1.063 59.217 58.100 0.090 0.000 1.105 419 Y CB -0.410 38.100 38.460 0.082 0.000 1.004 419 Y HN -0.228 nan 8.280 nan 0.000 0.494 420 V N -0.199 119.921 119.914 0.343 0.000 2.392 420 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 420 V C 2.644 178.777 176.094 0.066 0.000 1.059 420 V CA 2.087 64.501 62.300 0.189 0.000 1.051 420 V CB -1.149 30.802 31.823 0.213 0.000 0.658 420 V HN 0.575 nan 8.190 nan 0.000 0.455 421 S N 1.039 116.791 115.700 0.087 0.000 2.359 421 S HA -0.267 4.203 4.470 -0.000 0.000 0.223 421 S C 1.878 176.487 174.600 0.014 0.000 1.039 421 S CA 2.151 60.381 58.200 0.050 0.000 1.042 421 S CB -0.276 62.962 63.200 0.064 0.000 0.915 421 S HN 0.805 nan 8.310 nan 0.000 0.439 422 R N -0.005 120.491 120.500 -0.007 0.000 2.480 422 R HA 0.362 4.702 4.340 -0.000 0.000 0.277 422 R C 0.247 176.498 176.300 -0.082 0.000 1.008 422 R CA -0.214 55.875 56.100 -0.018 0.000 1.090 422 R CB -0.315 30.000 30.300 0.026 0.000 1.234 422 R HN 0.351 nan 8.270 nan 0.000 0.549 423 M N 1.788 121.314 119.600 -0.123 0.000 2.250 423 M HA 0.110 4.590 4.480 -0.000 0.000 0.325 423 M C 0.076 176.343 176.300 -0.056 0.000 1.084 423 M CA 0.789 56.007 55.300 -0.136 0.000 1.161 423 M CB 0.766 33.307 32.600 -0.098 0.000 1.481 423 M HN 0.074 nan 8.290 nan 0.000 0.449 424 K N 1.356 121.732 120.400 -0.039 0.000 2.095 424 K HA 0.297 4.617 4.320 -0.000 0.000 0.252 424 K C -0.616 175.981 176.600 -0.005 0.000 0.977 424 K CA -0.779 55.501 56.287 -0.012 0.000 0.900 424 K CB 0.809 33.308 32.500 -0.002 0.000 1.060 424 K HN 0.538 nan 8.250 nan 0.000 0.449 425 E N 0.218 120.417 120.200 -0.001 0.000 2.465 425 E HA -0.043 4.307 4.350 -0.000 0.000 0.260 425 E C 0.776 177.379 176.600 0.005 0.000 0.980 425 E CA 0.871 57.271 56.400 0.000 0.000 0.927 425 E CB 0.240 29.940 29.700 0.000 0.000 0.934 425 E HN 0.875 nan 8.360 nan 0.000 0.459 426 G N 3.140 111.943 108.800 0.004 0.000 2.299 426 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.237 426 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.237 426 G C 0.382 175.293 174.900 0.018 0.000 1.027 426 G CA 0.229 45.334 45.100 0.009 0.000 0.619 426 G HN 0.573 nan 8.290 nan 0.000 0.513 427 Q N 1.435 121.249 119.800 0.023 0.000 2.262 427 Q HA 0.401 4.741 4.340 -0.000 0.000 0.272 427 Q C 1.493 177.504 176.000 0.018 0.000 1.076 427 Q CA 0.931 56.760 55.803 0.044 0.000 0.905 427 Q CB 0.281 29.048 28.738 0.049 0.000 1.182 427 Q HN 0.774 nan 8.270 nan 0.000 0.390 428 E N 3.113 123.319 120.200 0.010 0.000 2.340 428 E HA 0.132 4.482 4.350 -0.000 0.000 0.198 428 E C -0.255 176.289 176.600 -0.094 0.000 0.961 428 E CA 0.060 56.441 56.400 -0.031 0.000 0.905 428 E CB 0.456 30.143 29.700 -0.022 0.000 0.884 428 E HN 0.292 nan 8.360 nan 0.000 0.491 429 K N 0.779 121.078 120.400 -0.167 0.000 2.139 429 K HA 0.516 4.836 4.320 -0.000 0.000 0.243 429 K C -0.710 175.595 176.600 -0.490 0.000 0.983 429 K CA -0.781 55.272 56.287 -0.390 0.000 0.890 429 K CB 1.823 33.974 32.500 -0.583 0.000 1.090 429 K HN -0.020 nan 8.250 nan 0.000 0.445 430 I N 2.654 122.889 120.570 -0.558 0.000 2.355 430 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 430 I C -0.980 174.883 176.117 -0.425 0.000 0.999 430 I CA -0.680 60.324 61.300 -0.493 0.000 1.163 430 I CB 0.601 38.046 38.000 -0.924 0.000 1.316 430 I HN 0.415 nan 8.210 nan 0.000 0.454 431 Y N 6.302 126.645 120.300 0.072 0.000 2.334 431 Y HA 0.522 5.072 4.550 0.000 0.000 0.328 431 Y C -0.248 175.719 175.900 0.112 0.000 1.130 431 Y CA -0.631 57.513 58.100 0.073 0.000 1.163 431 Y CB 1.258 39.747 38.460 0.050 0.000 1.207 431 Y HN 0.472 nan 8.280 nan 0.000 0.471 432 Y N 1.112 121.492 120.300 0.134 0.000 2.562 432 Y HA 0.752 5.302 4.550 -0.000 0.000 0.345 432 Y C -1.957 173.961 175.900 0.029 0.000 1.045 432 Y CA -1.793 56.327 58.100 0.034 0.000 1.028 432 Y CB 1.123 39.562 38.460 -0.036 0.000 1.297 432 Y HN 0.497 nan 8.280 nan 0.000 0.463 433 I N 2.107 122.717 120.570 0.067 0.000 2.562 433 I HA 0.653 4.823 4.170 -0.000 0.000 0.301 433 I C -0.668 175.528 176.117 0.132 0.000 1.003 433 I CA -0.410 60.883 61.300 -0.012 0.000 1.127 433 I CB 2.258 40.248 38.000 -0.017 0.000 1.304 433 I HN 0.859 nan 8.210 nan 0.000 0.446 434 T N 6.649 121.257 114.554 0.090 0.000 2.991 434 T HA 0.883 5.233 4.350 -0.000 0.000 0.347 434 T C -0.845 173.901 174.700 0.077 0.000 1.122 434 T CA -0.107 62.076 62.100 0.139 0.000 1.062 434 T CB -0.114 68.878 68.868 0.207 0.000 1.043 434 T HN 0.874 nan 8.240 nan 0.000 0.491 435 A N 3.318 126.180 122.820 0.071 0.000 2.387 435 A HA 0.711 5.031 4.320 -0.000 0.000 0.298 435 A C 0.611 178.233 177.584 0.063 0.000 1.165 435 A CA -0.692 51.378 52.037 0.055 0.000 0.814 435 A CB 1.019 20.042 19.000 0.038 0.000 1.357 435 A HN 0.678 nan 8.150 nan 0.000 0.443 436 D N 0.411 120.843 120.400 0.054 0.000 2.348 436 D HA 0.108 4.748 4.640 -0.000 0.000 0.216 436 D C 0.395 176.730 176.300 0.059 0.000 0.970 436 D CA 1.713 55.744 54.000 0.052 0.000 0.889 436 D CB 0.009 40.833 40.800 0.041 0.000 0.912 436 D HN 0.639 nan 8.370 nan 0.000 0.524 437 S N -1.970 113.773 115.700 0.072 0.000 2.558 437 S HA 0.135 4.604 4.470 -0.000 0.000 0.277 437 S C 0.258 174.939 174.600 0.135 0.000 1.143 437 S CA -0.962 57.299 58.200 0.102 0.000 0.865 437 S CB 0.543 63.795 63.200 0.086 0.000 1.102 437 S HN -0.012 nan 8.310 nan 0.000 0.454 438 Y N 2.667 122.999 120.300 0.053 0.000 2.102 438 Y HA -0.164 4.386 4.550 -0.001 0.000 0.280 438 Y C 2.456 178.389 175.900 0.055 0.000 1.178 438 Y CA 2.987 61.125 58.100 0.064 0.000 1.146 438 Y CB -0.830 37.668 38.460 0.063 0.000 0.968 438 Y HN 1.005 nan 8.280 nan 0.000 0.504 439 A N 0.828 123.820 122.820 0.286 0.000 1.859 439 A HA -0.355 3.965 4.320 -0.000 0.000 0.218 439 A C 2.478 180.096 177.584 0.058 0.000 1.242 439 A CA 3.024 55.165 52.037 0.173 0.000 0.661 439 A CB -1.873 17.202 19.000 0.125 0.000 0.842 439 A HN 0.743 nan 8.150 nan 0.000 0.455 440 A N -0.725 122.121 122.820 0.044 0.000 1.927 440 A HA 0.024 4.344 4.320 -0.000 0.000 0.220 440 A C 2.563 180.143 177.584 -0.006 0.000 1.185 440 A CA 3.035 55.084 52.037 0.019 0.000 0.639 440 A CB -1.316 17.700 19.000 0.025 0.000 0.820 440 A HN 1.429 nan 8.150 nan 0.000 0.451 441 A N -0.230 122.569 122.820 -0.036 0.000 1.849 441 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 441 A C 2.154 179.669 177.584 -0.115 0.000 1.202 441 A CA 2.325 54.313 52.037 -0.081 0.000 0.629 441 A CB -0.696 18.220 19.000 -0.141 0.000 0.834 441 A HN 0.565 nan 8.150 nan 0.000 0.447 442 K N -0.022 120.247 120.400 -0.218 0.000 2.160 442 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 442 K C 0.926 177.498 176.600 -0.047 0.000 1.047 442 K CA 1.691 57.881 56.287 -0.161 0.000 0.930 442 K CB -0.176 32.228 32.500 -0.159 0.000 0.720 442 K HN 0.592 nan 8.250 nan 0.000 0.450 443 S N -0.283 115.402 115.700 -0.024 0.000 2.499 443 S HA 0.226 4.695 4.470 -0.000 0.000 0.238 443 S C -0.469 174.127 174.600 -0.006 0.000 1.205 443 S CA -0.914 57.284 58.200 -0.003 0.000 1.203 443 S CB 0.913 64.122 63.200 0.014 0.000 0.954 443 S HN 0.116 nan 8.310 nan 0.000 0.484 444 S N 1.703 117.404 115.700 0.001 0.000 2.617 444 S HA 0.562 5.032 4.470 -0.000 0.000 0.283 444 S C -1.695 172.892 174.600 -0.021 0.000 1.189 444 S CA -1.692 56.520 58.200 0.020 0.000 1.036 444 S CB 0.997 64.256 63.200 0.098 0.000 1.014 444 S HN 0.212 nan 8.310 nan 0.000 0.522 445 P HA -0.124 nan 4.420 nan 0.000 0.215 445 P C 1.018 178.206 177.300 -0.185 0.000 1.157 445 P CA 1.336 64.321 63.100 -0.192 0.000 0.868 445 P CB -0.112 31.399 31.700 -0.314 0.000 0.788 446 H N -1.092 117.949 119.070 -0.050 0.000 2.518 446 H HA -0.093 4.463 4.556 -0.000 0.000 0.294 446 H C 1.930 177.218 175.328 -0.067 0.000 1.083 446 H CA 0.723 56.737 56.048 -0.057 0.000 1.264 446 H CB -0.656 29.070 29.762 -0.060 0.000 1.370 446 H HN 0.138 nan 8.280 nan 0.000 0.560 447 L N 1.066 122.313 121.223 0.041 0.000 2.095 447 L HA -0.106 4.234 4.340 -0.000 0.000 0.204 447 L C 2.164 179.021 176.870 -0.021 0.000 1.080 447 L CA 1.232 56.074 54.840 0.002 0.000 0.759 447 L CB -0.290 41.769 42.059 -0.000 0.000 0.914 447 L HN 0.267 nan 8.230 nan 0.000 0.439 448 E N -0.225 119.958 120.200 -0.028 0.000 2.153 448 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 448 E C 2.004 178.590 176.600 -0.023 0.000 0.988 448 E CA 0.987 57.372 56.400 -0.025 0.000 0.811 448 E CB -0.089 29.591 29.700 -0.033 0.000 0.746 448 E HN 0.300 nan 8.360 nan 0.000 0.466 449 L N 1.073 122.277 121.223 -0.032 0.000 1.988 449 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 449 L C 2.142 178.985 176.870 -0.044 0.000 1.071 449 L CA 1.498 56.319 54.840 -0.033 0.000 0.744 449 L CB -0.689 41.348 42.059 -0.037 0.000 0.893 449 L HN 0.047 nan 8.230 nan 0.000 0.433 450 L N 0.317 121.496 121.223 -0.073 0.000 2.042 450 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 450 L C 2.810 179.648 176.870 -0.053 0.000 1.076 450 L CA 1.954 56.737 54.840 -0.095 0.000 0.749 450 L CB -1.540 40.428 42.059 -0.151 0.000 0.893 450 L HN 0.533 nan 8.230 nan 0.000 0.432 451 R N 0.469 120.950 120.500 -0.031 0.000 2.148 451 R HA -0.172 4.168 4.340 -0.000 0.000 0.227 451 R C 2.226 178.536 176.300 0.018 0.000 1.103 451 R CA 1.213 57.313 56.100 -0.000 0.000 0.983 451 R CB 0.052 30.357 30.300 0.008 0.000 0.874 451 R HN 0.318 nan 8.270 nan 0.000 0.451 452 K N 0.357 120.760 120.400 0.004 0.000 2.044 452 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 452 K C 1.796 178.404 176.600 0.014 0.000 1.049 452 K CA 0.765 57.059 56.287 0.012 0.000 0.945 452 K CB 0.122 32.625 32.500 0.004 0.000 0.724 452 K HN -0.054 nan 8.250 nan 0.000 0.440 453 K N -0.467 119.934 120.400 0.001 0.000 2.362 453 K HA -0.061 4.259 4.320 -0.000 0.000 0.200 453 K C 1.089 177.702 176.600 0.021 0.000 1.046 453 K CA 1.170 57.459 56.287 0.003 0.000 0.952 453 K CB 0.307 32.798 32.500 -0.015 0.000 0.753 453 K HN 0.575 nan 8.250 nan 0.000 0.466 454 G N 1.025 109.844 108.800 0.032 0.000 2.179 454 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 454 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 454 G C 0.275 175.183 174.900 0.012 0.000 0.990 454 G CA -0.205 44.951 45.100 0.093 0.000 0.646 454 G HN 0.216 nan 8.290 nan 0.000 0.517 455 I N 1.554 122.094 120.570 -0.050 0.000 2.648 455 I HA 0.147 4.317 4.170 -0.000 0.000 0.284 455 I C 0.954 176.965 176.117 -0.176 0.000 1.153 455 I CA 0.059 61.302 61.300 -0.095 0.000 1.426 455 I CB 0.979 38.942 38.000 -0.062 0.000 1.381 455 I HN 0.296 nan 8.210 nan 0.000 0.571 456 E N 5.897 125.944 120.200 -0.256 0.000 2.217 456 E HA 0.290 4.639 4.350 -0.000 0.000 0.279 456 E C -1.257 175.408 176.600 0.107 0.000 1.068 456 E CA -0.415 55.820 56.400 -0.275 0.000 0.882 456 E CB 0.807 30.233 29.700 -0.457 0.000 1.039 456 E HN 0.334 nan 8.360 nan 0.000 0.418 457 V N 5.547 125.522 119.914 0.102 0.000 2.667 457 V HA 0.348 4.467 4.120 -0.000 0.000 0.308 457 V C 0.099 176.296 176.094 0.171 0.000 1.048 457 V CA -0.925 61.486 62.300 0.185 0.000 0.928 457 V CB 1.639 33.507 31.823 0.074 0.000 1.004 457 V HN 0.673 nan 8.190 nan 0.000 0.444 458 L N 4.057 125.375 121.223 0.159 0.000 2.307 458 L HA 0.524 4.863 4.340 -0.000 0.000 0.282 458 L C -0.679 176.240 176.870 0.082 0.000 1.051 458 L CA -0.494 54.394 54.840 0.081 0.000 0.804 458 L CB 1.462 43.472 42.059 -0.082 0.000 1.197 458 L HN 0.460 nan 8.230 nan 0.000 0.431 459 L N 5.630 126.899 121.223 0.077 0.000 2.335 459 L HA 0.402 4.742 4.340 -0.000 0.000 0.268 459 L C -0.570 176.367 176.870 0.111 0.000 1.037 459 L CA -0.181 54.685 54.840 0.044 0.000 0.895 459 L CB 0.611 42.632 42.059 -0.064 0.000 1.266 459 L HN 0.421 nan 8.230 nan 0.000 0.439 460 L N 2.447 123.745 121.223 0.126 0.000 2.257 460 L HA 0.315 4.655 4.340 -0.000 0.000 0.290 460 L C 0.854 177.809 176.870 0.141 0.000 1.044 460 L CA -0.020 54.919 54.840 0.164 0.000 0.810 460 L CB 1.522 43.667 42.059 0.143 0.000 1.193 460 L HN 0.619 nan 8.230 nan 0.000 0.425 461 S N -0.851 114.942 115.700 0.156 0.000 2.666 461 S HA 0.198 4.668 4.470 -0.000 0.000 0.239 461 S C 0.194 174.857 174.600 0.106 0.000 1.031 461 S CA -0.618 57.659 58.200 0.129 0.000 1.015 461 S CB 0.483 63.782 63.200 0.165 0.000 0.981 461 S HN 0.495 nan 8.310 nan 0.000 0.547 462 D N 1.814 122.280 120.400 0.109 0.000 2.175 462 D HA 0.346 4.986 4.640 -0.000 0.000 0.248 462 D C 0.749 177.086 176.300 0.061 0.000 1.047 462 D CA -0.398 53.639 54.000 0.062 0.000 0.883 462 D CB 1.672 42.504 40.800 0.052 0.000 1.180 462 D HN -0.012 nan 8.370 nan 0.000 0.438 463 R N 1.673 122.187 120.500 0.023 0.000 2.120 463 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 463 R C 1.976 178.321 176.300 0.075 0.000 1.123 463 R CA 0.709 56.834 56.100 0.041 0.000 0.975 463 R CB -0.277 30.023 30.300 -0.001 0.000 0.866 463 R HN 0.558 nan 8.270 nan 0.000 0.446 464 I N 0.330 120.924 120.570 0.040 0.000 2.756 464 I HA -0.224 3.946 4.170 -0.000 0.000 0.262 464 I C 0.472 176.699 176.117 0.184 0.000 1.225 464 I CA 1.280 62.623 61.300 0.073 0.000 1.472 464 I CB -0.085 37.913 38.000 -0.004 0.000 1.094 464 I HN 0.239 nan 8.210 nan 0.000 0.454 465 D N 1.231 121.720 120.400 0.149 0.000 2.097 465 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 465 D C 1.806 178.181 176.300 0.126 0.000 0.989 465 D CA 1.415 55.499 54.000 0.140 0.000 0.827 465 D CB -0.376 40.502 40.800 0.131 0.000 0.966 465 D HN 0.521 nan 8.370 nan 0.000 0.456 466 E N -0.520 119.770 120.200 0.151 0.000 2.333 466 E HA -0.191 4.159 4.350 -0.000 0.000 0.200 466 E C 1.678 178.380 176.600 0.169 0.000 1.010 466 E CA 0.560 57.049 56.400 0.147 0.000 0.841 466 E CB -0.070 29.722 29.700 0.154 0.000 0.757 466 E HN 0.405 nan 8.360 nan 0.000 0.508 467 W N 0.615 121.940 121.300 0.042 0.000 2.560 467 W HA 0.087 4.747 4.660 -0.001 0.000 0.303 467 W C 2.394 178.979 176.519 0.109 0.000 1.151 467 W CA 0.760 58.152 57.345 0.078 0.000 1.426 467 W CB -0.261 29.245 29.460 0.077 0.000 1.135 467 W HN -0.084 nan 8.180 nan 0.000 0.522 468 M N -0.025 119.803 119.600 0.380 0.000 2.082 468 M HA -0.315 4.165 4.480 -0.000 0.000 0.258 468 M C 1.786 178.139 176.300 0.088 0.000 1.069 468 M CA 1.974 57.430 55.300 0.260 0.000 1.102 468 M CB -0.408 32.291 32.600 0.165 0.000 1.336 468 M HN -0.061 nan 8.290 nan 0.000 0.404 469 M N 0.956 120.505 119.600 -0.085 0.000 2.144 469 M HA -0.212 4.268 4.480 -0.000 0.000 0.260 469 M C 1.609 177.792 176.300 -0.196 0.000 1.067 469 M CA 1.622 56.746 55.300 -0.294 0.000 1.095 469 M CB -2.151 30.179 32.600 -0.450 0.000 1.365 469 M HN 0.397 nan 8.290 nan 0.000 0.406 470 N N -0.590 118.017 118.700 -0.154 0.000 2.348 470 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 470 N C 1.488 176.766 175.510 -0.385 0.000 1.019 470 N CA 1.280 54.153 53.050 -0.294 0.000 0.880 470 N CB -0.219 37.990 38.487 -0.463 0.000 0.965 470 N HN 0.512 nan 8.380 nan 0.000 0.437 471 Y N 0.050 120.259 120.300 -0.151 0.000 2.472 471 Y HA 0.296 4.846 4.550 -0.000 0.000 0.288 471 Y C 1.069 176.899 175.900 -0.115 0.000 1.154 471 Y CA -0.464 57.562 58.100 -0.123 0.000 1.238 471 Y CB 0.172 38.610 38.460 -0.036 0.000 1.287 471 Y HN -0.110 nan 8.280 nan 0.000 0.524 472 L N 2.878 124.121 121.223 0.033 0.000 2.600 472 L HA -0.020 4.319 4.340 -0.000 0.000 0.278 472 L C 0.799 177.541 176.870 -0.213 0.000 1.139 472 L CA 0.505 55.279 54.840 -0.110 0.000 0.933 472 L CB 0.326 42.235 42.059 -0.249 0.000 1.266 472 L HN 0.459 nan 8.230 nan 0.000 0.471 473 T N 0.348 114.890 114.554 -0.019 0.000 3.040 473 T HA 0.094 4.443 4.350 -0.000 0.000 0.252 473 T C 0.457 175.376 174.700 0.364 0.000 1.064 473 T CA -0.114 62.032 62.100 0.077 0.000 1.110 473 T CB 0.453 69.347 68.868 0.043 0.000 0.921 473 T HN 0.615 nan 8.240 nan 0.000 0.480 474 E N -0.306 120.184 120.200 0.483 0.000 2.879 474 E HA 0.330 4.680 4.350 -0.000 0.000 0.345 474 E C -2.176 174.661 176.600 0.396 0.000 0.955 474 E CA -0.709 55.932 56.400 0.401 0.000 0.801 474 E CB 0.806 30.606 29.700 0.167 0.000 1.324 474 E HN 0.154 nan 8.360 nan 0.000 0.417 475 F N 4.890 124.931 119.950 0.150 0.000 2.426 475 F HA 0.406 4.933 4.527 -0.001 0.000 0.348 475 F C 0.261 176.068 175.800 0.011 0.000 1.124 475 F CA -0.463 57.605 58.000 0.113 0.000 1.008 475 F CB 1.250 40.348 39.000 0.162 0.000 1.139 475 F HN 0.701 nan 8.300 nan 0.000 0.452 476 D N 4.465 124.487 120.400 -0.629 0.000 2.772 476 D HA -0.167 4.473 4.640 -0.000 0.000 0.233 476 D C 0.997 177.113 176.300 -0.306 0.000 1.143 476 D CA 1.905 55.520 54.000 -0.642 0.000 0.700 476 D CB -1.120 39.027 40.800 -1.089 0.000 1.076 476 D HN 1.376 nan 8.370 nan 0.000 0.430 477 G N -0.941 107.754 108.800 -0.175 0.000 2.217 477 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 477 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 477 G C -0.032 174.810 174.900 -0.096 0.000 0.990 477 G CA 0.403 45.438 45.100 -0.108 0.000 0.627 477 G HN 0.437 nan 8.290 nan 0.000 0.522 478 K N 1.732 122.057 120.400 -0.124 0.000 2.367 478 K HA 0.476 4.796 4.320 -0.000 0.000 0.263 478 K C -2.646 173.837 176.600 -0.196 0.000 1.000 478 K CA -2.198 54.003 56.287 -0.144 0.000 0.891 478 K CB 2.575 34.988 32.500 -0.145 0.000 1.117 478 K HN 0.239 nan 8.250 nan 0.000 0.443 479 P HA 0.177 nan 4.420 nan 0.000 0.272 479 P C -0.620 176.571 177.300 -0.183 0.000 1.230 479 P CA -0.333 62.725 63.100 -0.071 0.000 0.788 479 P CB 0.442 32.131 31.700 -0.018 0.000 0.949 480 F N 0.807 120.735 119.950 -0.037 0.000 2.404 480 F HA 0.411 4.938 4.527 -0.000 0.000 0.345 480 F C 1.159 176.980 175.800 0.035 0.000 1.110 480 F CA 0.388 58.378 58.000 -0.017 0.000 1.130 480 F CB 1.218 40.213 39.000 -0.008 0.000 1.129 480 F HN 0.270 nan 8.300 nan 0.000 0.500 481 Q N 1.768 121.650 119.800 0.136 0.000 2.423 481 Q HA 0.595 4.934 4.340 -0.000 0.000 0.278 481 Q C -1.156 174.841 176.000 -0.004 0.000 1.097 481 Q CA -0.808 55.043 55.803 0.079 0.000 0.809 481 Q CB 2.186 30.916 28.738 -0.014 0.000 1.391 481 Q HN 0.619 nan 8.270 nan 0.000 0.428 482 S N 1.281 116.863 115.700 -0.197 0.000 2.482 482 S HA 0.382 4.852 4.470 -0.000 0.000 0.303 482 S C 0.885 175.332 174.600 -0.254 0.000 1.091 482 S CA -0.166 57.672 58.200 -0.603 0.000 1.057 482 S CB 1.190 63.846 63.200 -0.907 0.000 1.031 482 S HN 0.948 nan 8.310 nan 0.000 0.485 483 V N 1.228 121.002 119.914 -0.233 0.000 2.568 483 V HA -0.058 4.062 4.120 -0.000 0.000 0.253 483 V C 1.816 177.778 176.094 -0.220 0.000 1.072 483 V CA 1.931 64.142 62.300 -0.148 0.000 1.084 483 V CB -1.437 30.324 31.823 -0.103 0.000 0.676 483 V HN 0.810 nan 8.190 nan 0.000 0.469 484 S N -0.067 115.402 115.700 -0.385 0.000 2.660 484 S HA 0.129 4.598 4.470 -0.000 0.000 0.228 484 S C 0.757 175.206 174.600 -0.253 0.000 0.966 484 S CA 0.509 58.362 58.200 -0.579 0.000 0.940 484 S CB -0.503 62.411 63.200 -0.478 0.000 0.773 484 S HN 0.758 nan 8.310 nan 0.000 0.535 485 K N 1.651 121.969 120.400 -0.136 0.000 2.675 485 K HA 0.279 4.599 4.320 -0.000 0.000 0.224 485 K C -1.101 175.499 176.600 -0.001 0.000 1.003 485 K CA -0.281 55.978 56.287 -0.047 0.000 1.034 485 K CB 0.954 33.424 32.500 -0.051 0.000 1.218 485 K HN -0.126 nan 8.250 nan 0.000 0.507 486 V N 5.234 125.166 119.914 0.030 0.000 2.452 486 V HA -0.079 4.041 4.120 -0.000 0.000 0.286 486 V C 0.404 176.519 176.094 0.035 0.000 0.995 486 V CA 0.315 62.638 62.300 0.039 0.000 1.116 486 V CB -0.247 31.608 31.823 0.052 0.000 0.954 486 V HN 0.757 nan 8.190 nan 0.000 0.473 487 D N 4.194 124.619 120.400 0.041 0.000 2.437 487 D HA 0.239 4.879 4.640 -0.000 0.000 0.259 487 D C 0.441 176.767 176.300 0.042 0.000 1.118 487 D CA -1.036 52.992 54.000 0.046 0.000 1.017 487 D CB 1.155 41.998 40.800 0.072 0.000 1.120 487 D HN 0.552 nan 8.370 nan 0.000 0.541 488 E N -0.686 119.537 120.200 0.039 0.000 2.437 488 E HA 0.137 4.486 4.350 -0.000 0.000 0.189 488 E C 0.847 177.471 176.600 0.038 0.000 1.054 488 E CA -0.103 56.317 56.400 0.034 0.000 0.874 488 E CB 0.234 29.950 29.700 0.026 0.000 1.011 488 E HN 0.240 nan 8.360 nan 0.000 0.474 489 S N 0.377 116.108 115.700 0.052 0.000 2.412 489 S HA 0.155 4.625 4.470 -0.000 0.000 0.223 489 S C 1.557 176.192 174.600 0.059 0.000 1.048 489 S CA 0.190 58.427 58.200 0.061 0.000 0.954 489 S CB 0.049 63.303 63.200 0.089 0.000 0.840 489 S HN 0.226 nan 8.310 nan 0.000 0.503 490 L N 1.478 122.735 121.223 0.056 0.000 2.558 490 L HA 0.187 4.526 4.340 -0.000 0.000 0.225 490 L C 2.263 179.144 176.870 0.018 0.000 1.128 490 L CA 0.495 55.346 54.840 0.018 0.000 0.868 490 L CB -0.265 41.773 42.059 -0.035 0.000 1.006 490 L HN 0.362 nan 8.230 nan 0.000 0.454 491 E N 1.584 121.803 120.200 0.032 0.000 2.265 491 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 491 E C 1.517 178.144 176.600 0.046 0.000 0.996 491 E CA 0.997 57.422 56.400 0.041 0.000 0.832 491 E CB 0.301 30.025 29.700 0.040 0.000 0.756 491 E HN 0.525 nan 8.360 nan 0.000 0.491 492 K N -0.615 119.802 120.400 0.028 0.000 2.402 492 K HA 0.194 4.514 4.320 -0.000 0.000 0.204 492 K C 0.872 177.470 176.600 -0.002 0.000 1.056 492 K CA -0.310 55.985 56.287 0.014 0.000 1.069 492 K CB 0.334 32.841 32.500 0.012 0.000 0.888 492 K HN 0.030 nan 8.250 nan 0.000 0.546 501 A N 2.319 125.086 122.820 -0.089 0.000 2.913 501 A HA 0.661 4.980 4.320 -0.000 0.000 0.284 501 A C -0.836 176.646 177.584 -0.170 0.000 1.273 501 A CA -0.075 51.882 52.037 -0.134 0.000 0.899 501 A CB -0.347 18.538 19.000 -0.191 0.000 1.444 501 A HN 1.525 nan 8.150 nan 0.000 0.586 502 K N 0.501 120.839 120.400 -0.103 0.000 2.606 502 K HA 0.548 4.867 4.320 -0.000 0.000 0.259 502 K C -0.346 176.225 176.600 -0.048 0.000 1.001 502 K CA -0.214 56.022 56.287 -0.085 0.000 0.881 502 K CB 1.135 33.590 32.500 -0.075 0.000 1.288 502 K HN 0.400 nan 8.250 nan 0.000 0.452 503 E N 1.553 121.732 120.200 -0.035 0.000 2.661 503 E HA 0.256 4.606 4.350 -0.000 0.000 0.202 503 E C -0.289 176.304 176.600 -0.012 0.000 0.911 503 E CA -0.266 56.121 56.400 -0.020 0.000 1.581 503 E CB 1.144 30.834 29.700 -0.017 0.000 1.667 503 E HN 0.458 nan 8.360 nan 0.000 0.911 504 A N 1.352 124.168 122.820 -0.008 0.000 2.604 504 A HA 0.448 4.768 4.320 -0.000 0.000 0.285 504 A C -1.119 176.473 177.584 0.012 0.000 1.095 504 A CA -0.702 51.336 52.037 0.001 0.000 0.842 504 A CB 1.189 20.190 19.000 0.002 0.000 1.385 504 A HN 0.076 nan 8.150 nan 0.000 0.404 505 E N 1.197 121.406 120.200 0.016 0.000 3.638 505 E HA 0.774 5.124 4.350 -0.000 0.000 0.289 505 E C 0.886 177.509 176.600 0.038 0.000 1.464 505 E CA 0.879 57.300 56.400 0.036 0.000 1.396 505 E CB 0.221 29.942 29.700 0.035 0.000 1.303 505 E HN 1.081 nan 8.360 nan 0.000 0.785 506 K N -1.277 119.151 120.400 0.046 0.000 2.719 506 K HA 0.826 5.146 4.320 -0.000 0.000 0.281 506 K C -1.733 174.888 176.600 0.036 0.000 0.991 506 K CA -0.378 55.932 56.287 0.038 0.000 0.760 506 K CB 0.782 33.309 32.500 0.044 0.000 1.438 506 K HN 0.862 nan 8.250 nan 0.000 0.350 507 A N -1.033 121.807 122.820 0.034 0.000 2.511 507 A HA 0.736 5.056 4.320 -0.000 0.000 0.292 507 A C -0.519 177.092 177.584 0.044 0.000 1.045 507 A CA 0.307 52.361 52.037 0.028 0.000 0.870 507 A CB 0.217 19.227 19.000 0.017 0.000 1.361 507 A HN 2.309 nan 8.150 nan 0.000 0.396 508 L N 2.050 123.309 121.223 0.059 0.000 2.935 508 L HA 0.820 5.159 4.340 -0.000 0.000 0.243 508 L C 1.373 178.272 176.870 0.049 0.000 1.313 508 L CA 0.871 55.797 54.840 0.144 0.000 0.969 508 L CB -0.891 41.350 42.059 0.302 0.000 1.320 508 L HN 1.445 nan 8.230 nan 0.000 0.511 509 T N -0.464 114.090 114.554 -0.000 0.000 2.737 509 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 509 T C 0.544 175.194 174.700 -0.083 0.000 1.038 509 T CA 1.829 63.886 62.100 -0.070 0.000 1.144 509 T CB -0.835 68.010 68.868 -0.038 0.000 0.866 509 T HN 0.486 nan 8.240 nan 0.000 0.434 510 P HA -0.123 nan 4.420 nan 0.000 0.215 510 P C 1.430 178.749 177.300 0.032 0.000 1.163 510 P CA 1.435 64.554 63.100 0.033 0.000 0.894 510 P CB -0.384 31.356 31.700 0.065 0.000 0.791 511 F N -2.138 117.777 119.950 -0.058 0.000 2.558 511 F HA 0.136 4.663 4.527 -0.000 0.000 0.298 511 F C 1.873 177.705 175.800 0.053 0.000 1.119 511 F CA 0.474 58.446 58.000 -0.047 0.000 1.451 511 F CB -1.243 37.721 39.000 -0.061 0.000 1.091 511 F HN -0.201 nan 8.300 nan 0.000 0.563 512 I N 1.306 121.372 120.570 -0.841 0.000 2.315 512 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 512 I C 1.685 177.659 176.117 -0.237 0.000 1.117 512 I CA 1.278 62.203 61.300 -0.625 0.000 1.404 512 I CB -0.511 37.145 38.000 -0.574 0.000 1.071 512 I HN 0.147 nan 8.210 nan 0.000 0.419 513 D N 0.377 120.684 120.400 -0.156 0.000 2.269 513 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 513 D C 2.153 178.447 176.300 -0.009 0.000 0.963 513 D CA 0.740 54.702 54.000 -0.063 0.000 0.864 513 D CB -0.149 40.623 40.800 -0.047 0.000 0.936 513 D HN 0.308 nan 8.370 nan 0.000 0.505 514 R N 0.712 121.220 120.500 0.013 0.000 2.119 514 R HA -0.046 4.294 4.340 -0.000 0.000 0.222 514 R C 2.026 178.444 176.300 0.198 0.000 1.088 514 R CA 0.567 56.722 56.100 0.092 0.000 0.984 514 R CB 0.100 30.437 30.300 0.061 0.000 0.884 514 R HN -0.043 nan 8.270 nan 0.000 0.447 515 V N 1.321 121.348 119.914 0.188 0.000 2.379 515 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 515 V C 2.155 178.316 176.094 0.111 0.000 1.044 515 V CA 1.629 64.039 62.300 0.183 0.000 1.036 515 V CB -0.368 31.512 31.823 0.095 0.000 0.664 515 V HN 0.315 nan 8.190 nan 0.000 0.453 516 K N 0.376 120.807 120.400 0.051 0.000 2.032 516 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 516 K C 2.302 178.937 176.600 0.059 0.000 1.048 516 K CA 1.680 57.994 56.287 0.045 0.000 0.927 516 K CB -0.418 32.088 32.500 0.010 0.000 0.712 516 K HN 0.477 nan 8.250 nan 0.000 0.441 517 A N 1.173 124.029 122.820 0.061 0.000 1.898 517 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 517 A C 2.048 179.680 177.584 0.079 0.000 1.181 517 A CA 1.051 53.124 52.037 0.061 0.000 0.620 517 A CB -0.426 18.607 19.000 0.055 0.000 0.819 517 A HN 0.239 nan 8.150 nan 0.000 0.442 518 L N -0.478 120.812 121.223 0.113 0.000 2.093 518 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 518 L C 2.110 179.038 176.870 0.097 0.000 1.085 518 L CA 1.577 56.491 54.840 0.123 0.000 0.755 518 L CB -0.333 41.835 42.059 0.181 0.000 0.904 518 L HN 0.393 nan 8.230 nan 0.000 0.435 519 L N -1.811 119.470 121.223 0.098 0.000 2.145 519 L HA 0.303 4.643 4.340 -0.000 0.000 0.201 519 L C 1.830 178.739 176.870 0.065 0.000 1.075 519 L CA 0.578 55.469 54.840 0.086 0.000 0.773 519 L CB -0.852 41.275 42.059 0.112 0.000 0.936 519 L HN 0.470 nan 8.230 nan 0.000 0.451 520 G N 0.670 109.507 108.800 0.062 0.000 2.728 520 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.269 520 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.269 520 G C 0.540 175.465 174.900 0.041 0.000 1.334 520 G CA 0.358 45.486 45.100 0.046 0.000 0.974 520 G HN 0.339 nan 8.290 nan 0.000 0.550 521 E N 0.863 121.084 120.200 0.034 0.000 2.476 521 E HA 0.293 4.643 4.350 -0.000 0.000 0.199 521 E C 2.379 178.997 176.600 0.030 0.000 1.021 521 E CA 0.047 56.464 56.400 0.027 0.000 0.907 521 E CB 0.252 29.961 29.700 0.016 0.000 0.974 521 E HN 0.480 nan 8.360 nan 0.000 0.489 522 R N 0.379 120.901 120.500 0.037 0.000 2.081 522 R HA -0.008 4.332 4.340 -0.000 0.000 0.235 522 R C 0.291 176.623 176.300 0.053 0.000 1.131 522 R CA 0.800 56.922 56.100 0.037 0.000 0.960 522 R CB 0.053 30.372 30.300 0.033 0.000 0.856 522 R HN -0.015 nan 8.270 nan 0.000 0.436 523 V N 1.127 121.082 119.914 0.068 0.000 2.459 523 V HA 0.113 4.233 4.120 -0.000 0.000 0.295 523 V C 0.882 177.027 176.094 0.086 0.000 1.029 523 V CA -0.649 61.709 62.300 0.095 0.000 0.874 523 V CB 1.876 33.776 31.823 0.128 0.000 0.985 523 V HN 0.099 nan 8.190 nan 0.000 0.438 524 K N 1.789 122.236 120.400 0.080 0.000 2.211 524 K HA -0.033 4.286 4.320 -0.000 0.000 0.203 524 K C 0.222 176.855 176.600 0.056 0.000 1.050 524 K CA 1.235 57.553 56.287 0.052 0.000 0.945 524 K CB 0.281 32.801 32.500 0.034 0.000 0.732 524 K HN 0.787 nan 8.250 nan 0.000 0.451 525 D N -1.058 119.390 120.400 0.081 0.000 2.654 525 D HA 0.216 4.856 4.640 -0.000 0.000 0.231 525 D C -1.783 174.573 176.300 0.094 0.000 1.239 525 D CA -0.492 53.548 54.000 0.067 0.000 0.790 525 D CB 2.466 43.295 40.800 0.048 0.000 1.480 525 D HN -0.197 nan 8.370 nan 0.000 0.442 526 V N 2.677 122.617 119.914 0.044 0.000 2.604 526 V HA 0.709 4.829 4.120 -0.000 0.000 0.305 526 V C 0.163 176.219 176.094 -0.063 0.000 1.043 526 V CA -0.614 61.687 62.300 0.002 0.000 0.888 526 V CB 2.020 33.815 31.823 -0.046 0.000 0.995 526 V HN 0.453 nan 8.190 nan 0.000 0.429 527 R N 2.886 123.332 120.500 -0.090 0.000 2.781 527 R HA 0.707 5.047 4.340 -0.000 0.000 0.269 527 R C -1.529 174.686 176.300 -0.141 0.000 1.025 527 R CA -1.009 55.030 56.100 -0.102 0.000 0.914 527 R CB 2.147 32.416 30.300 -0.052 0.000 1.236 527 R HN 0.486 nan 8.270 nan 0.000 0.465 528 L N -0.007 121.132 121.223 -0.139 0.000 2.399 528 L HA 0.602 4.942 4.340 -0.000 0.000 0.265 528 L C 0.204 176.971 176.870 -0.172 0.000 1.089 528 L CA -0.465 54.280 54.840 -0.159 0.000 0.802 528 L CB 1.737 43.691 42.059 -0.175 0.000 1.180 528 L HN 0.565 nan 8.230 nan 0.000 0.454 529 T N -1.693 112.739 114.554 -0.203 0.000 3.041 529 T HA 0.294 4.644 4.350 -0.000 0.000 0.321 529 T C -0.337 174.234 174.700 -0.215 0.000 1.184 529 T CA -0.599 61.386 62.100 -0.191 0.000 1.050 529 T CB 0.576 69.400 68.868 -0.072 0.000 1.159 529 T HN 0.626 nan 8.240 nan 0.000 0.469 530 H N 2.838 121.905 119.070 -0.005 0.000 2.787 530 H HA 0.253 4.809 4.556 -0.001 0.000 0.302 530 H C 0.955 176.275 175.328 -0.012 0.000 1.098 530 H CA -0.248 55.797 56.048 -0.005 0.000 1.192 530 H CB 0.079 29.839 29.762 -0.003 0.000 1.316 530 H HN 0.008 nan 8.280 nan 0.000 0.590 531 R N 1.576 122.099 120.500 0.040 0.000 3.641 531 R HA 0.023 4.363 4.340 -0.000 0.000 0.189 531 R C -0.104 176.197 176.300 0.002 0.000 1.706 531 R CA 0.030 56.135 56.100 0.009 0.000 1.311 531 R CB -0.484 29.802 30.300 -0.023 0.000 1.330 531 R HN 0.521 nan 8.270 nan 0.000 0.727 532 L N 1.321 122.562 121.223 0.030 0.000 2.912 532 L HA 0.003 4.342 4.340 -0.000 0.000 0.246 532 L C 1.292 178.167 176.870 0.009 0.000 1.371 532 L CA 0.098 54.958 54.840 0.033 0.000 1.196 532 L CB -0.520 41.575 42.059 0.060 0.000 1.596 532 L HN 0.233 nan 8.230 nan 0.000 0.429 533 T N -1.635 112.906 114.554 -0.021 0.000 2.813 533 T HA -0.002 4.348 4.350 -0.000 0.000 0.297 533 T C 0.983 175.647 174.700 -0.059 0.000 1.036 533 T CA -0.337 61.740 62.100 -0.039 0.000 1.044 533 T CB 0.861 69.690 68.868 -0.066 0.000 0.993 533 T HN 0.413 nan 8.240 nan 0.000 0.535 534 D N 0.849 121.214 120.400 -0.058 0.000 2.378 534 D HA 0.061 4.701 4.640 -0.000 0.000 0.222 534 D C 0.551 176.651 176.300 -0.333 0.000 0.980 534 D CA 0.568 54.518 54.000 -0.084 0.000 0.907 534 D CB -0.175 40.625 40.800 -0.000 0.000 0.899 534 D HN 0.413 nan 8.370 nan 0.000 0.527 535 T N 2.300 116.706 114.554 -0.247 0.000 2.834 535 T HA 0.064 4.414 4.350 -0.000 0.000 0.298 535 T C -1.412 173.096 174.700 -0.320 0.000 0.966 535 T CA -1.211 60.728 62.100 -0.268 0.000 1.141 535 T CB 1.640 70.411 68.868 -0.162 0.000 0.905 535 T HN 0.016 nan 8.240 nan 0.000 0.535 536 P HA 0.090 nan 4.420 nan 0.000 0.211 536 P C 0.130 177.419 177.300 -0.018 0.000 1.191 536 P CA 0.566 63.584 63.100 -0.137 0.000 0.909 536 P CB 0.317 32.051 31.700 0.055 0.000 0.770 537 A N -0.276 122.565 122.820 0.036 0.000 2.337 537 A HA 0.764 5.083 4.320 -0.000 0.000 0.331 537 A C -0.618 177.021 177.584 0.091 0.000 1.137 537 A CA -0.821 51.289 52.037 0.121 0.000 0.807 537 A CB 0.836 20.025 19.000 0.314 0.000 1.250 537 A HN 0.269 nan 8.150 nan 0.000 0.468 538 I N 1.457 122.107 120.570 0.133 0.000 2.743 538 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 538 I C -1.918 174.236 176.117 0.061 0.000 1.343 538 I CA -0.714 60.581 61.300 -0.008 0.000 1.038 538 I CB 1.847 39.755 38.000 -0.152 0.000 1.311 538 I HN 0.627 nan 8.210 nan 0.000 0.426 539 V N 6.634 126.520 119.914 -0.047 0.000 2.555 539 V HA 0.771 4.891 4.120 -0.000 0.000 0.302 539 V C -0.476 175.640 176.094 0.038 0.000 1.038 539 V CA 0.244 62.508 62.300 -0.060 0.000 0.887 539 V CB 2.013 33.603 31.823 -0.388 0.000 0.991 539 V HN 0.907 nan 8.190 nan 0.000 0.434 540 S N 3.493 119.281 115.700 0.146 0.000 2.811 540 S HA 0.808 5.278 4.470 -0.000 0.000 0.311 540 S C -0.597 174.171 174.600 0.280 0.000 1.152 540 S CA -0.546 57.788 58.200 0.222 0.000 0.864 540 S CB 2.053 65.364 63.200 0.184 0.000 1.226 540 S HN 1.039 nan 8.310 nan 0.000 0.541 541 T N 0.733 115.398 114.554 0.184 0.000 3.193 541 T HA 0.516 4.865 4.350 -0.000 0.000 0.332 541 T C -1.854 172.868 174.700 0.037 0.000 1.208 541 T CA -0.552 61.608 62.100 0.100 0.000 1.080 541 T CB 0.880 69.764 68.868 0.026 0.000 1.180 541 T HN 0.514 nan 8.240 nan 0.000 0.469 542 D N 2.234 122.647 120.400 0.022 0.000 2.947 542 D HA 0.681 5.321 4.640 -0.000 0.000 0.211 542 D C 1.001 177.297 176.300 -0.007 0.000 1.326 542 D CA 0.399 54.403 54.000 0.006 0.000 1.095 542 D CB -0.224 40.585 40.800 0.015 0.000 1.206 542 D HN 1.090 nan 8.370 nan 0.000 0.619 543 A N 0.254 123.071 122.820 -0.005 0.000 2.860 543 A HA -0.205 4.115 4.320 -0.000 0.000 0.267 543 A C 0.324 177.895 177.584 -0.020 0.000 1.421 543 A CA 1.583 53.614 52.037 -0.010 0.000 0.831 543 A CB -2.131 16.863 19.000 -0.009 0.000 1.041 543 A HN 0.627 nan 8.150 nan 0.000 0.623 544 D N -1.694 118.692 120.400 -0.023 0.000 2.800 544 D HA -0.133 4.507 4.640 -0.000 0.000 0.232 544 D C 0.077 176.352 176.300 -0.042 0.000 1.137 544 D CA 1.822 55.804 54.000 -0.031 0.000 0.718 544 D CB -0.446 40.336 40.800 -0.030 0.000 1.084 544 D HN 0.815 nan 8.370 nan 0.000 0.432 545 E N -0.444 119.727 120.200 -0.048 0.000 2.243 545 E HA 0.358 4.708 4.350 -0.000 0.000 0.260 545 E C 0.546 177.098 176.600 -0.080 0.000 0.985 545 E CA -1.167 55.192 56.400 -0.068 0.000 0.858 545 E CB 0.622 30.276 29.700 -0.076 0.000 1.210 545 E HN 0.257 nan 8.360 nan 0.000 0.411 546 M N 2.041 121.576 119.600 -0.108 0.000 2.734 546 M HA -0.042 4.438 4.480 -0.000 0.000 0.356 546 M C -0.517 175.719 176.300 -0.106 0.000 1.790 546 M CA 0.281 55.511 55.300 -0.117 0.000 1.231 546 M CB -0.455 32.039 32.600 -0.176 0.000 2.102 546 M HN 0.336 nan 8.290 nan 0.000 0.463 547 S N 2.593 118.258 115.700 -0.057 0.000 2.589 547 S HA 0.078 4.548 4.470 -0.000 0.000 0.265 547 S C 1.192 175.783 174.600 -0.016 0.000 1.342 547 S CA -0.255 57.925 58.200 -0.032 0.000 1.005 547 S CB 0.963 64.160 63.200 -0.006 0.000 0.909 547 S HN 0.809 nan 8.310 nan 0.000 0.555 548 T N 0.286 114.850 114.554 0.016 0.000 2.737 548 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 548 T C 1.677 176.416 174.700 0.066 0.000 1.038 548 T CA 1.262 63.396 62.100 0.056 0.000 1.144 548 T CB -0.417 68.530 68.868 0.131 0.000 0.866 548 T HN 0.525 nan 8.240 nan 0.000 0.434 549 Q N -0.062 119.779 119.800 0.069 0.000 2.230 549 Q HA 0.053 4.392 4.340 -0.000 0.000 0.202 549 Q C 2.209 178.277 176.000 0.112 0.000 0.963 549 Q CA 0.812 56.668 55.803 0.088 0.000 0.866 549 Q CB -0.467 28.326 28.738 0.091 0.000 0.931 549 Q HN 0.457 nan 8.270 nan 0.000 0.452 550 M N 0.825 120.488 119.600 0.105 0.000 2.108 550 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 550 M C 1.961 178.411 176.300 0.250 0.000 1.066 550 M CA 1.704 57.099 55.300 0.159 0.000 1.107 550 M CB -0.785 31.881 32.600 0.109 0.000 1.356 550 M HN 0.159 nan 8.290 nan 0.000 0.406 551 A N -0.240 122.655 122.820 0.125 0.000 1.865 551 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 551 A C 2.210 179.893 177.584 0.166 0.000 1.191 551 A CA 2.026 54.119 52.037 0.093 0.000 0.623 551 A CB -0.750 18.246 19.000 -0.007 0.000 0.826 551 A HN 0.545 nan 8.150 nan 0.000 0.444 552 K N -1.067 119.409 120.400 0.127 0.000 2.211 552 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 552 K C 1.823 178.503 176.600 0.134 0.000 1.047 552 K CA 1.199 57.555 56.287 0.115 0.000 0.935 552 K CB -0.358 32.196 32.500 0.090 0.000 0.728 552 K HN 0.367 nan 8.250 nan 0.000 0.452 553 L N 0.046 121.371 121.223 0.169 0.000 2.027 553 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 553 L C 1.964 178.904 176.870 0.117 0.000 1.074 553 L CA 1.510 56.436 54.840 0.143 0.000 0.745 553 L CB -0.510 41.645 42.059 0.161 0.000 0.898 553 L HN 0.005 nan 8.230 nan 0.000 0.433 554 F N -0.406 119.576 119.950 0.055 0.000 2.126 554 F HA -0.280 4.246 4.527 -0.000 0.000 0.299 554 F C 2.477 178.298 175.800 0.034 0.000 1.096 554 F CA 1.521 59.546 58.000 0.043 0.000 1.255 554 F CB -0.985 38.029 39.000 0.024 0.000 0.997 554 F HN 0.155 nan 8.300 nan 0.000 0.479 555 A N -0.251 122.699 122.820 0.218 0.000 1.940 555 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 555 A C 2.348 179.980 177.584 0.080 0.000 1.176 555 A CA 1.955 54.066 52.037 0.123 0.000 0.631 555 A CB -1.261 17.796 19.000 0.095 0.000 0.814 555 A HN 0.333 nan 8.150 nan 0.000 0.446 556 A N -0.887 121.974 122.820 0.069 0.000 2.016 556 A HA 0.422 4.741 4.320 -0.000 0.000 0.217 556 A C 2.146 179.738 177.584 0.013 0.000 1.162 556 A CA 1.343 53.400 52.037 0.034 0.000 0.662 556 A CB -0.529 18.489 19.000 0.030 0.000 0.812 556 A HN 1.037 nan 8.150 nan 0.000 0.450 557 A N -1.145 121.679 122.820 0.007 0.000 2.278 557 A HA 0.439 4.759 4.320 -0.000 0.000 0.212 557 A C 1.478 179.069 177.584 0.010 0.000 1.213 557 A CA 0.854 52.883 52.037 -0.013 0.000 0.840 557 A CB -1.037 17.928 19.000 -0.058 0.000 0.866 557 A HN 1.807 nan 8.150 nan 0.000 0.489 558 G N 0.020 108.842 108.800 0.038 0.000 2.324 558 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.292 558 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.292 558 G C -0.220 174.718 174.900 0.065 0.000 1.079 558 G CA 0.356 45.484 45.100 0.047 0.000 1.026 558 G HN 0.681 nan 8.290 nan 0.000 0.506 559 Q N -0.584 119.283 119.800 0.111 0.000 2.445 559 Q HA 0.450 4.789 4.340 -0.000 0.000 0.281 559 Q C -0.008 176.083 176.000 0.151 0.000 1.101 559 Q CA -1.141 54.749 55.803 0.146 0.000 0.833 559 Q CB 1.602 30.477 28.738 0.228 0.000 1.416 559 Q HN 0.326 nan 8.270 nan 0.000 0.451 560 K N 1.218 121.686 120.400 0.113 0.000 2.402 560 K HA 0.072 4.391 4.320 -0.000 0.000 0.279 560 K C -0.369 176.251 176.600 0.034 0.000 1.082 560 K CA -0.029 56.293 56.287 0.057 0.000 1.080 560 K CB -0.081 32.435 32.500 0.027 0.000 0.899 560 K HN 0.297 nan 8.250 nan 0.000 0.469 561 V N 6.570 126.502 119.914 0.030 0.000 2.442 561 V HA -0.039 4.080 4.120 -0.000 0.000 0.272 561 V C -1.746 174.296 176.094 -0.086 0.000 0.989 561 V CA -1.022 61.280 62.300 0.004 0.000 1.123 561 V CB -0.897 30.938 31.823 0.020 0.000 1.008 561 V HN 0.631 nan 8.190 nan 0.000 0.469 562 P HA 0.060 nan 4.420 nan 0.000 0.267 562 P C 0.197 177.379 177.300 -0.196 0.000 1.200 562 P CA -0.203 62.736 63.100 -0.268 0.000 0.772 562 P CB 0.491 31.887 31.700 -0.506 0.000 0.855 563 E N 1.598 121.697 120.200 -0.168 0.000 2.414 563 E HA 0.095 4.445 4.350 -0.000 0.000 0.263 563 E C -0.941 175.535 176.600 -0.206 0.000 1.000 563 E CA -0.267 56.043 56.400 -0.150 0.000 0.914 563 E CB 0.407 30.037 29.700 -0.117 0.000 0.948 563 E HN 0.110 nan 8.360 nan 0.000 0.444 564 V N 3.119 122.876 119.914 -0.263 0.000 2.427 564 V HA 0.397 4.517 4.120 -0.000 0.000 0.286 564 V C 0.482 176.305 176.094 -0.452 0.000 1.034 564 V CA -0.381 61.643 62.300 -0.459 0.000 0.893 564 V CB 0.987 32.327 31.823 -0.805 0.000 0.982 564 V HN 0.718 nan 8.190 nan 0.000 0.452 565 K N 4.098 124.278 120.400 -0.367 0.000 2.244 565 K HA 0.515 4.835 4.320 -0.000 0.000 0.263 565 K C -0.825 175.684 176.600 -0.152 0.000 1.103 565 K CA -0.412 55.755 56.287 -0.201 0.000 0.966 565 K CB 0.002 32.432 32.500 -0.117 0.000 1.429 565 K HN 0.569 nan 8.250 nan 0.000 0.434 566 Y N 0.732 121.020 120.300 -0.020 0.000 2.335 566 Y HA 0.496 5.046 4.550 -0.000 0.000 0.323 566 Y C 0.619 176.527 175.900 0.013 0.000 1.224 566 Y CA -1.615 56.475 58.100 -0.015 0.000 1.241 566 Y CB 1.550 39.982 38.460 -0.048 0.000 1.235 566 Y HN 0.416 nan 8.280 nan 0.000 0.492 567 I N 4.303 125.027 120.570 0.257 0.000 2.464 567 I HA 0.062 4.232 4.170 -0.000 0.000 0.277 567 I C -0.610 175.638 176.117 0.218 0.000 1.040 567 I CA -1.077 60.332 61.300 0.181 0.000 1.153 567 I CB -0.012 38.067 38.000 0.132 0.000 1.274 567 I HN 0.340 nan 8.210 nan 0.000 0.469 568 F N 6.317 126.286 119.950 0.031 0.000 2.538 568 F HA 0.240 4.767 4.527 -0.000 0.000 0.371 568 F C 0.660 176.452 175.800 -0.013 0.000 1.087 568 F CA -0.034 57.964 58.000 -0.003 0.000 1.250 568 F CB 0.408 39.407 39.000 -0.002 0.000 1.110 568 F HN 0.459 nan 8.300 nan 0.000 0.570 569 E N 5.851 126.227 120.200 0.294 0.000 2.266 569 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 569 E C -1.341 175.193 176.600 -0.110 0.000 0.879 569 E CA -0.906 55.499 56.400 0.009 0.000 0.762 569 E CB 2.855 32.578 29.700 0.038 0.000 1.199 569 E HN 0.449 nan 8.360 nan 0.000 0.422 570 L N 1.761 122.884 121.223 -0.168 0.000 2.333 570 L HA 0.426 4.765 4.340 -0.000 0.000 0.263 570 L C -0.503 176.323 176.870 -0.074 0.000 1.014 570 L CA -0.929 53.825 54.840 -0.144 0.000 0.820 570 L CB 1.798 43.745 42.059 -0.188 0.000 1.352 570 L HN 0.357 nan 8.230 nan 0.000 0.421 571 N N 1.397 120.084 118.700 -0.022 0.000 2.621 571 N HA 0.358 5.098 4.740 -0.000 0.000 0.237 571 N C -2.227 173.309 175.510 0.043 0.000 0.997 571 N CA -2.195 50.853 53.050 -0.003 0.000 0.918 571 N CB 1.485 39.973 38.487 0.003 0.000 1.122 571 N HN 0.166 nan 8.380 nan 0.000 0.510 572 P HA -0.004 nan 4.420 nan 0.000 0.229 572 P C -0.498 176.835 177.300 0.055 0.000 1.150 572 P CA 1.128 64.256 63.100 0.046 0.000 0.765 572 P CB 0.342 32.054 31.700 0.019 0.000 0.783 573 D N -3.524 116.920 120.400 0.072 0.000 2.440 573 D HA 0.026 4.666 4.640 -0.000 0.000 0.216 573 D C 0.225 176.590 176.300 0.109 0.000 1.150 573 D CA 0.001 54.046 54.000 0.075 0.000 0.832 573 D CB -0.149 40.699 40.800 0.080 0.000 0.992 573 D HN 0.238 nan 8.370 nan 0.000 0.502 574 H N 0.464 119.537 119.070 0.006 0.000 2.492 574 H HA 0.167 4.723 4.556 -0.000 0.000 0.345 574 H C 1.293 176.618 175.328 -0.004 0.000 1.136 574 H CA -0.736 55.317 56.048 0.008 0.000 1.202 574 H CB 1.752 31.526 29.762 0.020 0.000 1.524 574 H HN -0.245 nan 8.280 nan 0.000 0.506 575 V N 4.998 124.564 119.914 -0.580 0.000 2.238 575 V HA -0.406 3.714 4.120 -0.000 0.000 0.253 575 V C 2.672 178.633 176.094 -0.221 0.000 1.050 575 V CA 2.353 64.418 62.300 -0.392 0.000 1.045 575 V CB -0.987 30.575 31.823 -0.435 0.000 0.670 575 V HN 0.744 nan 8.190 nan 0.000 0.469 576 L N -0.409 120.748 121.223 -0.110 0.000 2.187 576 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 576 L C 2.401 179.290 176.870 0.031 0.000 1.100 576 L CA 0.947 55.837 54.840 0.084 0.000 0.765 576 L CB -0.790 41.515 42.059 0.411 0.000 0.904 576 L HN 0.251 nan 8.230 nan 0.000 0.437 577 V N 0.218 120.194 119.914 0.103 0.000 2.237 577 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 577 V C 2.494 178.532 176.094 -0.093 0.000 1.046 577 V CA 1.973 64.310 62.300 0.062 0.000 1.007 577 V CB -0.544 31.345 31.823 0.111 0.000 0.638 577 V HN 0.455 nan 8.190 nan 0.000 0.445 578 K N -0.213 120.110 120.400 -0.130 0.000 2.057 578 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 578 K C 2.431 178.839 176.600 -0.321 0.000 1.049 578 K CA 1.238 57.391 56.287 -0.224 0.000 0.931 578 K CB -0.302 32.102 32.500 -0.160 0.000 0.714 578 K HN 0.202 nan 8.250 nan 0.000 0.440 579 R N 1.077 121.376 120.500 -0.335 0.000 2.096 579 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 579 R C 2.099 178.002 176.300 -0.661 0.000 1.127 579 R CA 1.472 57.306 56.100 -0.442 0.000 0.968 579 R CB -0.178 29.858 30.300 -0.441 0.000 0.861 579 R HN 0.227 nan 8.270 nan 0.000 0.440 580 A N 0.405 122.759 122.820 -0.777 0.000 1.970 580 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 580 A C 2.287 179.724 177.584 -0.246 0.000 1.170 580 A CA 1.211 52.830 52.037 -0.697 0.000 0.645 580 A CB -0.431 18.336 19.000 -0.388 0.000 0.816 580 A HN 0.435 nan 8.150 nan 0.000 0.447 581 A N 0.054 122.622 122.820 -0.419 0.000 1.978 581 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 581 A C 1.730 178.952 177.584 -0.603 0.000 1.170 581 A CA 1.937 53.453 52.037 -0.869 0.000 0.636 581 A CB -0.406 17.756 19.000 -1.397 0.000 0.810 581 A HN 0.460 nan 8.150 nan 0.000 0.448 582 D N -0.616 119.541 120.400 -0.404 0.000 2.162 582 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 582 D C 0.526 176.692 176.300 -0.223 0.000 0.964 582 D CA 0.805 54.630 54.000 -0.291 0.000 0.847 582 D CB -0.620 40.037 40.800 -0.238 0.000 0.988 582 D HN 0.260 nan 8.370 nan 0.000 0.480 583 T N 1.394 115.835 114.554 -0.188 0.000 2.934 583 T HA 0.004 4.354 4.350 -0.000 0.000 0.306 583 T C 1.128 175.768 174.700 -0.101 0.000 1.042 583 T CA 0.509 62.546 62.100 -0.106 0.000 1.145 583 T CB 0.938 69.770 68.868 -0.060 0.000 0.982 583 T HN 0.093 nan 8.240 nan 0.000 0.544 584 E N 0.948 121.100 120.200 -0.081 0.000 2.498 584 E HA 0.058 4.407 4.350 -0.000 0.000 0.203 584 E C -0.037 176.539 176.600 -0.040 0.000 1.013 584 E CA -0.160 56.177 56.400 -0.104 0.000 0.927 584 E CB 0.495 30.141 29.700 -0.090 0.000 1.012 584 E HN 0.638 nan 8.360 nan 0.000 0.482 585 D N 1.460 121.874 120.400 0.022 0.000 2.425 585 D HA -0.021 4.619 4.640 -0.000 0.000 0.247 585 D C 0.900 177.275 176.300 0.124 0.000 1.147 585 D CA 0.325 54.364 54.000 0.064 0.000 0.879 585 D CB 0.872 41.722 40.800 0.083 0.000 1.179 585 D HN -0.003 nan 8.370 nan 0.000 0.456 586 E N 2.318 122.582 120.200 0.106 0.000 2.107 586 E HA -0.154 4.195 4.350 -0.000 0.000 0.191 586 E C 1.751 178.467 176.600 0.194 0.000 0.982 586 E CA 0.801 57.293 56.400 0.153 0.000 0.809 586 E CB 0.006 29.765 29.700 0.098 0.000 0.756 586 E HN 0.558 nan 8.360 nan 0.000 0.459 587 A N 1.814 124.717 122.820 0.139 0.000 1.872 587 A HA -0.181 4.138 4.320 -0.000 0.000 0.214 587 A C 2.105 179.775 177.584 0.145 0.000 1.187 587 A CA 1.656 53.764 52.037 0.119 0.000 0.614 587 A CB -0.270 18.779 19.000 0.080 0.000 0.826 587 A HN 0.034 nan 8.150 nan 0.000 0.442 588 K N -0.733 119.771 120.400 0.174 0.000 2.002 588 K HA -0.130 4.190 4.320 -0.000 0.000 0.209 588 K C 1.684 178.488 176.600 0.340 0.000 1.048 588 K CA 1.808 58.233 56.287 0.230 0.000 0.930 588 K CB -0.646 31.989 32.500 0.224 0.000 0.714 588 K HN 0.316 nan 8.250 nan 0.000 0.438 589 F N 1.027 121.083 119.950 0.177 0.000 2.095 589 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 589 F C 2.429 178.359 175.800 0.216 0.000 1.104 589 F CA 2.061 60.171 58.000 0.183 0.000 1.232 589 F CB -1.104 37.953 39.000 0.095 0.000 0.987 589 F HN 0.188 nan 8.300 nan 0.000 0.475 590 S N -0.006 115.781 115.700 0.145 0.000 2.368 590 S HA -0.308 4.162 4.470 -0.000 0.000 0.226 590 S C 1.991 176.578 174.600 -0.020 0.000 1.044 590 S CA 2.005 60.219 58.200 0.024 0.000 1.062 590 S CB -0.611 62.651 63.200 0.104 0.000 0.931 590 S HN 0.646 nan 8.310 nan 0.000 0.440 591 E N -0.958 119.260 120.200 0.031 0.000 2.171 591 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 591 E C 1.690 178.239 176.600 -0.086 0.000 0.997 591 E CA 1.575 57.955 56.400 -0.034 0.000 0.810 591 E CB -0.198 29.477 29.700 -0.041 0.000 0.738 591 E HN 0.709 nan 8.360 nan 0.000 0.467 592 W N -0.108 121.114 121.300 -0.131 0.000 2.501 592 W HA -0.075 4.585 4.660 -0.000 0.000 0.309 592 W C 2.338 178.769 176.519 -0.146 0.000 1.165 592 W CA 0.548 57.817 57.345 -0.126 0.000 1.381 592 W CB -0.616 28.770 29.460 -0.124 0.000 1.142 592 W HN -0.118 nan 8.180 nan 0.000 0.509 593 V N 0.855 120.736 119.914 -0.055 0.000 2.469 593 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 593 V C 2.063 178.212 176.094 0.091 0.000 1.064 593 V CA 2.158 64.435 62.300 -0.038 0.000 1.066 593 V CB -0.337 31.331 31.823 -0.258 0.000 0.667 593 V HN 0.156 nan 8.190 nan 0.000 0.461 594 E N -0.435 119.777 120.200 0.019 0.000 2.047 594 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 594 E C 2.133 178.757 176.600 0.040 0.000 0.987 594 E CA 1.649 58.065 56.400 0.027 0.000 0.799 594 E CB -0.240 29.453 29.700 -0.012 0.000 0.752 594 E HN 0.588 nan 8.360 nan 0.000 0.449 595 L N 1.157 122.376 121.223 -0.007 0.000 2.079 595 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 595 L C 2.142 179.092 176.870 0.133 0.000 1.081 595 L CA 1.469 56.307 54.840 -0.004 0.000 0.752 595 L CB -0.435 41.490 42.059 -0.223 0.000 0.896 595 L HN 0.097 nan 8.230 nan 0.000 0.433 596 L N -1.395 119.937 121.223 0.181 0.000 2.027 596 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 596 L C 2.508 179.548 176.870 0.283 0.000 1.074 596 L CA 1.275 56.281 54.840 0.277 0.000 0.745 596 L CB -0.573 41.695 42.059 0.348 0.000 0.898 596 L HN 0.389 nan 8.230 nan 0.000 0.433 597 L N 0.169 121.526 121.223 0.223 0.000 1.976 597 L HA -0.239 4.100 4.340 -0.000 0.000 0.209 597 L C 2.029 178.782 176.870 -0.195 0.000 1.071 597 L CA 1.977 56.675 54.840 -0.236 0.000 0.746 597 L CB -0.620 41.254 42.059 -0.309 0.000 0.890 597 L HN 0.159 nan 8.230 nan 0.000 0.432 598 D N -0.702 119.668 120.400 -0.050 0.000 2.149 598 D HA -0.281 4.358 4.640 -0.000 0.000 0.194 598 D C 2.111 178.333 176.300 -0.129 0.000 1.001 598 D CA 1.524 55.513 54.000 -0.018 0.000 0.849 598 D CB -0.185 40.727 40.800 0.186 0.000 0.939 598 D HN 0.533 nan 8.370 nan 0.000 0.449 599 Q N -0.153 119.617 119.800 -0.050 0.000 2.061 599 Q HA -0.191 4.148 4.340 -0.000 0.000 0.204 599 Q C 2.038 177.904 176.000 -0.224 0.000 0.984 599 Q CA 1.799 57.478 55.803 -0.207 0.000 0.846 599 Q CB -0.098 28.662 28.738 0.037 0.000 0.902 599 Q HN 0.284 nan 8.270 nan 0.000 0.421 600 A N 0.539 123.266 122.820 -0.155 0.000 1.898 600 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 600 A C 2.055 179.487 177.584 -0.253 0.000 1.181 600 A CA 0.915 52.844 52.037 -0.180 0.000 0.620 600 A CB -0.663 18.248 19.000 -0.149 0.000 0.819 600 A HN 0.427 nan 8.150 nan 0.000 0.442 601 L N -0.861 120.181 121.223 -0.301 0.000 1.971 601 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 601 L C 2.649 179.386 176.870 -0.221 0.000 1.072 601 L CA 1.908 56.570 54.840 -0.297 0.000 0.758 601 L CB -0.732 41.178 42.059 -0.248 0.000 0.889 601 L HN 0.501 nan 8.230 nan 0.000 0.433 602 L N -0.201 120.877 121.223 -0.241 0.000 2.129 602 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 602 L C 2.562 179.332 176.870 -0.167 0.000 1.087 602 L CA 1.515 56.221 54.840 -0.223 0.000 0.757 602 L CB -0.230 41.610 42.059 -0.365 0.000 0.896 602 L HN 0.259 nan 8.230 nan 0.000 0.434 603 A N -1.287 121.430 122.820 -0.172 0.000 2.067 603 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 603 A C 2.008 179.558 177.584 -0.057 0.000 1.156 603 A CA 1.342 53.310 52.037 -0.114 0.000 0.683 603 A CB -0.218 18.705 19.000 -0.128 0.000 0.808 603 A HN 0.535 nan 8.150 nan 0.000 0.455 604 E N 0.147 120.303 120.200 -0.074 0.000 2.048 604 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 604 E C 1.841 178.439 176.600 -0.003 0.000 0.956 604 E CA 0.499 56.891 56.400 -0.014 0.000 0.846 604 E CB -0.209 29.449 29.700 -0.071 0.000 0.827 604 E HN 0.356 nan 8.360 nan 0.000 0.466 605 R N 0.334 120.818 120.500 -0.026 0.000 2.357 605 R HA 0.059 4.398 4.340 -0.000 0.000 0.202 605 R C 1.325 177.627 176.300 0.002 0.000 1.047 605 R CA 0.501 56.613 56.100 0.020 0.000 1.034 605 R CB -0.330 29.989 30.300 0.030 0.000 0.875 605 R HN 0.442 nan 8.270 nan 0.000 0.473 606 G N 1.077 109.865 108.800 -0.020 0.000 3.581 606 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.336 606 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.336 606 G C 0.571 175.461 174.900 -0.016 0.000 1.259 606 G CA 0.917 46.009 45.100 -0.013 0.000 1.001 606 G HN 0.469 nan 8.290 nan 0.000 0.662 607 T N 0.945 115.500 114.554 0.001 0.000 3.826 607 T HA 0.492 4.841 4.350 -0.000 0.000 0.239 607 T C 0.717 175.415 174.700 -0.003 0.000 1.007 607 T CA 0.059 62.161 62.100 0.002 0.000 1.171 607 T CB 0.129 69.004 68.868 0.013 0.000 1.153 607 T HN 0.707 nan 8.240 nan 0.000 0.854 608 L N 2.793 124.004 121.223 -0.020 0.000 2.500 608 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 608 L C 0.612 177.479 176.870 -0.004 0.000 1.149 608 L CA -0.121 54.704 54.840 -0.026 0.000 0.897 608 L CB 0.331 42.354 42.059 -0.059 0.000 1.178 608 L HN 0.599 nan 8.230 nan 0.000 0.473 609 E N 2.893 123.095 120.200 0.004 0.000 2.352 609 E HA 0.020 4.370 4.350 -0.000 0.000 0.197 609 E C -0.894 175.715 176.600 0.015 0.000 1.224 609 E CA 0.294 56.701 56.400 0.012 0.000 1.118 609 E CB -0.171 29.538 29.700 0.015 0.000 1.198 609 E HN 0.365 nan 8.360 nan 0.000 0.454 610 D N -1.530 118.881 120.400 0.019 0.000 2.842 610 D HA 0.021 4.661 4.640 -0.000 0.000 0.178 610 D C -2.365 173.970 176.300 0.059 0.000 1.244 610 D CA -0.959 53.060 54.000 0.033 0.000 1.403 610 D CB 0.454 41.273 40.800 0.030 0.000 1.293 610 D HN -0.162 nan 8.370 nan 0.000 0.680 611 P HA -0.101 nan 4.420 nan 0.000 0.218 611 P C 1.365 178.767 177.300 0.170 0.000 1.148 611 P CA 0.826 63.994 63.100 0.113 0.000 0.822 611 P CB 0.243 31.986 31.700 0.072 0.000 0.784 612 N N -0.619 118.133 118.700 0.088 0.000 2.104 612 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 612 N C 1.637 177.168 175.510 0.034 0.000 1.024 612 N CA 0.773 53.852 53.050 0.049 0.000 0.853 612 N CB -0.322 38.178 38.487 0.022 0.000 1.008 612 N HN -0.050 nan 8.380 nan 0.000 0.424 613 L N 0.827 122.083 121.223 0.055 0.000 2.017 613 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 613 L C 2.178 179.068 176.870 0.033 0.000 1.073 613 L CA 1.486 56.345 54.840 0.032 0.000 0.745 613 L CB -1.154 40.929 42.059 0.040 0.000 0.894 613 L HN 0.246 nan 8.230 nan 0.000 0.432 614 F N -0.058 119.864 119.950 -0.047 0.000 2.065 614 F HA -0.267 4.259 4.527 -0.001 0.000 0.298 614 F C 2.217 177.978 175.800 -0.064 0.000 1.112 614 F CA 1.984 59.949 58.000 -0.059 0.000 1.212 614 F CB -0.600 38.366 39.000 -0.057 0.000 0.975 614 F HN 0.068 nan 8.300 nan 0.000 0.476 615 I N 0.401 120.695 120.570 -0.460 0.000 2.163 615 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 615 I C 2.758 178.645 176.117 -0.383 0.000 1.085 615 I CA 1.595 62.559 61.300 -0.559 0.000 1.347 615 I CB -0.536 37.367 38.000 -0.160 0.000 1.044 615 I HN 0.164 nan 8.210 nan 0.000 0.408 616 R N 0.071 120.440 120.500 -0.219 0.000 2.096 616 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 616 R C 2.446 178.635 176.300 -0.185 0.000 1.127 616 R CA 1.252 57.257 56.100 -0.158 0.000 0.968 616 R CB -0.220 30.026 30.300 -0.090 0.000 0.861 616 R HN 0.142 nan 8.270 nan 0.000 0.440 617 R N 0.680 121.054 120.500 -0.210 0.000 2.073 617 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 617 R C 2.203 178.332 176.300 -0.285 0.000 1.134 617 R CA 1.472 57.450 56.100 -0.204 0.000 0.952 617 R CB -0.413 29.788 30.300 -0.167 0.000 0.850 617 R HN 0.128 nan 8.270 nan 0.000 0.433 618 M N 0.525 119.877 119.600 -0.414 0.000 2.175 618 M HA -0.151 4.328 4.480 -0.000 0.000 0.264 618 M C 0.841 176.954 176.300 -0.311 0.000 1.063 618 M CA 1.669 56.707 55.300 -0.437 0.000 1.119 618 M CB -0.593 31.646 32.600 -0.601 0.000 1.377 618 M HN 0.112 nan 8.290 nan 0.000 0.415 619 N N 0.975 119.517 118.700 -0.263 0.000 2.018 619 N HA -0.254 4.485 4.740 -0.000 0.000 0.196 619 N C 1.644 177.068 175.510 -0.144 0.000 1.043 619 N CA 1.893 54.838 53.050 -0.175 0.000 0.856 619 N CB -0.781 37.622 38.487 -0.141 0.000 1.042 619 N HN 0.466 nan 8.380 nan 0.000 0.423 620 Q N 0.873 120.588 119.800 -0.141 0.000 2.084 620 Q HA 0.017 4.357 4.340 -0.000 0.000 0.202 620 Q C 2.011 177.941 176.000 -0.117 0.000 0.978 620 Q CA 0.989 56.729 55.803 -0.106 0.000 0.844 620 Q CB -0.489 28.193 28.738 -0.092 0.000 0.898 620 Q HN 0.453 nan 8.270 nan 0.000 0.426 621 L N -0.566 120.544 121.223 -0.188 0.000 2.353 621 L HA -0.066 4.274 4.340 -0.000 0.000 0.220 621 L C 1.479 178.252 176.870 -0.161 0.000 1.133 621 L CA 0.810 55.508 54.840 -0.237 0.000 0.798 621 L CB 0.074 41.841 42.059 -0.487 0.000 0.922 621 L HN 0.344 nan 8.230 nan 0.000 0.445 622 L N -2.701 118.442 121.223 -0.135 0.000 2.425 622 L HA 0.002 4.342 4.340 -0.000 0.000 0.215 622 L C 2.122 178.963 176.870 -0.047 0.000 1.065 622 L CA -0.038 54.754 54.840 -0.080 0.000 0.842 622 L CB 0.162 42.166 42.059 -0.091 0.000 1.033 622 L HN -0.003 nan 8.230 nan 0.000 0.474 623 V N -0.291 119.591 119.914 -0.054 0.000 2.283 623 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 623 V C 1.502 177.586 176.094 -0.018 0.000 1.039 623 V CA 1.497 63.776 62.300 -0.035 0.000 1.016 623 V CB -0.218 31.581 31.823 -0.040 0.000 0.650 623 V HN 0.527 nan 8.190 nan 0.000 0.449 624 S N 0.000 115.691 115.700 -0.015 0.000 2.498 624 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 624 S CA 0.000 58.201 58.200 0.002 0.000 1.107 624 S CB 0.000 63.201 63.200 0.001 0.000 0.593 624 S HN 0.000 nan 8.310 nan 0.000 0.517