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 2bx2_1_L DATA FIRST_RESID -6 DATA SEQUENCE AHIEGRHMKR MLINATQQEE LRVALVDGQR LYDLDIESPG HEQKKANIYK DATA SEQUENCE GKITRIEPSL EAAFVDYGAE RHGFLPLKEI AREYFPXXXX XXXRPNIKDV DATA SEQUENCE LREGQEVIVQ IDKEERGNKG AALTTFISLA GSYLVLMPNN PRAGGISRRI DATA SEQUENCE XXXXXXELKE ALASLELPEG MGLIVRTAGV GKSAEALQWD LSFRLKHWEA DATA SEQUENCE IKKAAESRPA PFLIHQESNV IVRAFRDYLR QDIGEILIDN PKVLELARQH DATA SEQUENCE IAALGRPDFS SKIKLYTGEI PLFSHYQIES QIESAFQREV RLPSGGSIVI DATA SEQUENCE DSTEALTAID INSARXXXXG DIEETAFNTN LEAADEIARQ LRLRDLGGLI DATA SEQUENCE VIDFIDMTPV RHQRAVENRL REAVRQDRAR IQISHISRFG LLEMSRQRLS DATA SEQUENCE PSLGESSHHV CPRCSGTGTV RDNESLSLSI LRLIEEEALK ENTQEVHAIV DATA SEQUENCE PVPIASYLLN EKRSAVNAIE TRQDGVRCVI VPNDQMETPH YHVLRVRKGE DATA SEQUENCE ETPTLSYMLP KLHEEAM 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 -6 A HA 0.000 nan 4.320 nan 0.000 0.244 -6 A C 0.000 177.625 177.584 0.069 0.000 1.274 -6 A CA 0.000 52.069 52.037 0.053 0.000 0.836 -6 A CB 0.000 19.014 19.000 0.024 0.000 0.831 -5 H N 1.031 120.112 119.070 0.019 0.000 3.125 -5 H HA 0.285 4.841 4.556 -0.001 0.000 0.310 -5 H C -0.896 174.428 175.328 -0.006 0.000 0.980 -5 H CA 1.411 57.472 56.048 0.023 0.000 1.422 -5 H CB 0.317 30.093 29.762 0.024 0.000 1.432 -5 H HN 0.446 nan 8.280 nan 0.000 0.577 -4 I N 4.721 124.964 120.570 -0.546 0.000 2.466 -4 I HA 0.068 4.238 4.170 -0.001 0.000 0.289 -4 I C 0.070 175.858 176.117 -0.548 0.000 1.026 -4 I CA -0.741 60.325 61.300 -0.390 0.000 1.078 -4 I CB 1.999 39.868 38.000 -0.218 0.000 1.249 -4 I HN 0.598 nan 8.210 nan 0.000 0.429 -3 E N 4.949 124.980 120.200 -0.281 0.000 2.366 -3 E HA 0.388 4.737 4.350 -0.001 0.000 0.266 -3 E C 0.996 177.508 176.600 -0.147 0.000 1.015 -3 E CA 0.985 57.286 56.400 -0.166 0.000 0.906 -3 E CB 0.425 30.113 29.700 -0.019 0.000 0.979 -3 E HN 0.845 nan 8.360 nan 0.000 0.443 -2 G N 4.711 113.431 108.800 -0.134 0.000 2.436 -2 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.204 -2 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.204 -2 G C 1.086 175.903 174.900 -0.137 0.000 1.026 -2 G CA 0.307 45.345 45.100 -0.102 0.000 0.658 -2 G HN 0.623 nan 8.290 nan 0.000 0.499 -1 R N 1.035 121.392 120.500 -0.237 0.000 2.122 -1 R HA -0.038 4.302 4.340 -0.001 0.000 0.236 -1 R C 1.143 177.242 176.300 -0.335 0.000 1.129 -1 R CA 2.018 57.907 56.100 -0.352 0.000 0.925 -1 R CB -0.529 29.441 30.300 -0.550 0.000 0.850 -1 R HN 0.618 nan 8.270 nan 0.000 0.431 0 H N -0.739 118.306 119.070 -0.041 0.000 2.508 0 H HA 0.249 4.804 4.556 -0.001 0.000 0.344 0 H C -0.215 175.130 175.328 0.028 0.000 1.192 0 H CA -0.909 55.144 56.048 0.008 0.000 1.290 0 H CB 0.888 30.669 29.762 0.033 0.000 1.571 0 H HN 0.099 nan 8.280 nan 0.000 0.555 1 M N 1.565 121.281 119.600 0.194 0.000 2.248 1 M HA -0.005 4.475 4.480 -0.001 0.000 0.345 1 M C -0.175 176.213 176.300 0.146 0.000 1.243 1 M CA 0.691 56.072 55.300 0.135 0.000 1.090 1 M CB 0.324 32.998 32.600 0.123 0.000 1.683 1 M HN 0.430 nan 8.290 nan 0.000 0.450 2 K N 3.694 124.175 120.400 0.135 0.000 2.276 2 K HA 0.387 4.707 4.320 -0.001 0.000 0.283 2 K C -0.606 176.072 176.600 0.129 0.000 1.044 2 K CA -0.131 56.261 56.287 0.175 0.000 0.944 2 K CB 1.013 33.633 32.500 0.200 0.000 1.012 2 K HN 0.587 nan 8.250 nan 0.000 0.472 3 R N 1.873 122.420 120.500 0.078 0.000 2.837 3 R HA 0.387 4.727 4.340 -0.001 0.000 0.271 3 R C -0.847 175.431 176.300 -0.036 0.000 0.993 3 R CA -0.934 55.167 56.100 0.001 0.000 0.931 3 R CB 1.955 32.181 30.300 -0.123 0.000 1.206 3 R HN 0.473 nan 8.270 nan 0.000 0.474 4 M N 3.602 123.199 119.600 -0.006 0.000 2.061 4 M HA 0.366 4.846 4.480 -0.001 0.000 0.346 4 M C -1.555 174.724 176.300 -0.035 0.000 1.112 4 M CA -0.473 54.817 55.300 -0.018 0.000 1.021 4 M CB 0.582 33.232 32.600 0.083 0.000 1.530 4 M HN 0.420 nan 8.290 nan 0.000 0.437 5 L N 6.865 128.028 121.223 -0.100 0.000 2.272 5 L HA 0.523 4.862 4.340 -0.001 0.000 0.289 5 L C -0.667 176.308 176.870 0.174 0.000 1.032 5 L CA -0.495 54.336 54.840 -0.015 0.000 0.810 5 L CB 1.181 43.145 42.059 -0.159 0.000 1.205 5 L HN 0.708 nan 8.230 nan 0.000 0.422 6 I N 3.747 124.419 120.570 0.170 0.000 2.354 6 I HA 0.200 4.370 4.170 -0.001 0.000 0.286 6 I C -0.117 176.032 176.117 0.053 0.000 1.007 6 I CA -0.221 61.155 61.300 0.126 0.000 1.167 6 I CB 1.434 39.475 38.000 0.068 0.000 1.320 6 I HN 0.681 nan 8.210 nan 0.000 0.458 7 N N 5.875 124.512 118.700 -0.106 0.000 2.462 7 N HA 0.468 5.208 4.740 -0.001 0.000 0.242 7 N C -0.143 175.233 175.510 -0.223 0.000 1.010 7 N CA -0.119 52.712 53.050 -0.365 0.000 0.939 7 N CB 1.225 39.035 38.487 -1.129 0.000 1.127 7 N HN 0.757 nan 8.380 nan 0.000 0.509 8 A N 2.792 125.539 122.820 -0.120 0.000 2.610 8 A HA 0.115 4.434 4.320 -0.001 0.000 0.290 8 A C 1.107 178.658 177.584 -0.055 0.000 1.001 8 A CA -0.386 51.606 52.037 -0.075 0.000 1.004 8 A CB -0.357 18.622 19.000 -0.034 0.000 1.220 8 A HN 0.724 nan 8.150 nan 0.000 0.507 9 T N -3.198 111.313 114.554 -0.072 0.000 3.113 9 T HA 0.140 4.490 4.350 -0.001 0.000 0.256 9 T C 0.512 175.184 174.700 -0.047 0.000 1.131 9 T CA 0.595 62.668 62.100 -0.045 0.000 1.074 9 T CB -0.016 68.829 68.868 -0.039 0.000 0.944 9 T HN 0.201 nan 8.240 nan 0.000 0.516 10 Q N 1.154 120.917 119.800 -0.062 0.000 2.341 10 Q HA 0.473 4.812 4.340 -0.001 0.000 0.268 10 Q C 0.533 176.508 176.000 -0.042 0.000 1.013 10 Q CA -0.417 55.354 55.803 -0.052 0.000 0.798 10 Q CB 1.904 30.602 28.738 -0.067 0.000 1.253 10 Q HN 0.220 nan 8.270 nan 0.000 0.457 11 Q N 1.111 120.893 119.800 -0.029 0.000 2.152 11 Q HA -0.219 4.121 4.340 -0.001 0.000 0.206 11 Q C 0.920 176.906 176.000 -0.023 0.000 0.985 11 Q CA 1.800 57.589 55.803 -0.022 0.000 0.863 11 Q CB 0.111 28.840 28.738 -0.015 0.000 0.904 11 Q HN 0.617 nan 8.270 nan 0.000 0.422 12 E N 0.523 120.708 120.200 -0.025 0.000 2.489 12 E HA 0.022 4.372 4.350 -0.001 0.000 0.193 12 E C -0.267 176.320 176.600 -0.021 0.000 1.057 12 E CA 0.278 56.666 56.400 -0.020 0.000 0.866 12 E CB 0.261 29.950 29.700 -0.018 0.000 0.916 12 E HN 0.428 nan 8.360 nan 0.000 0.500 13 E N 0.647 120.828 120.200 -0.031 0.000 2.499 13 E HA 0.181 4.530 4.350 -0.001 0.000 0.327 13 E C -1.819 174.752 176.600 -0.048 0.000 0.929 13 E CA -0.515 55.867 56.400 -0.029 0.000 0.788 13 E CB 1.071 30.755 29.700 -0.027 0.000 1.452 13 E HN -0.025 nan 8.360 nan 0.000 0.387 14 L N 4.523 125.721 121.223 -0.041 0.000 2.281 14 L HA 0.421 4.761 4.340 -0.001 0.000 0.285 14 L C -0.703 176.139 176.870 -0.047 0.000 1.074 14 L CA 0.147 54.955 54.840 -0.054 0.000 0.817 14 L CB 0.383 42.414 42.059 -0.046 0.000 1.168 14 L HN 0.445 nan 8.230 nan 0.000 0.434 15 R N 4.303 124.766 120.500 -0.062 0.000 2.494 15 R HA 0.700 5.040 4.340 -0.001 0.000 0.305 15 R C -1.371 174.988 176.300 0.098 0.000 0.959 15 R CA -0.923 55.187 56.100 0.017 0.000 0.864 15 R CB 2.134 32.452 30.300 0.031 0.000 1.159 15 R HN 0.395 nan 8.270 nan 0.000 0.446 16 V N 2.090 122.042 119.914 0.064 0.000 2.444 16 V HA 0.599 4.719 4.120 -0.001 0.000 0.294 16 V C -0.420 175.640 176.094 -0.057 0.000 1.022 16 V CA -0.737 61.574 62.300 0.018 0.000 0.850 16 V CB 1.602 33.361 31.823 -0.107 0.000 0.992 16 V HN 0.927 nan 8.190 nan 0.000 0.426 17 A N 5.897 128.661 122.820 -0.094 0.000 2.343 17 A HA 0.878 5.198 4.320 -0.001 0.000 0.316 17 A C -0.862 176.513 177.584 -0.349 0.000 1.104 17 A CA -0.595 51.261 52.037 -0.301 0.000 0.768 17 A CB 1.039 19.708 19.000 -0.552 0.000 1.213 17 A HN 0.805 nan 8.150 nan 0.000 0.456 18 L N 2.954 123.891 121.223 -0.477 0.000 2.265 18 L HA 0.501 4.840 4.340 -0.001 0.000 0.288 18 L C -0.674 175.811 176.870 -0.640 0.000 1.058 18 L CA -0.607 53.877 54.840 -0.593 0.000 0.809 18 L CB 1.175 42.670 42.059 -0.940 0.000 1.179 18 L HN 0.426 nan 8.230 nan 0.000 0.429 19 V N 1.969 121.719 119.914 -0.274 0.000 2.628 19 V HA 0.354 4.474 4.120 -0.001 0.000 0.306 19 V C -0.498 175.719 176.094 0.205 0.000 1.045 19 V CA -0.661 61.597 62.300 -0.070 0.000 0.905 19 V CB 2.341 34.053 31.823 -0.185 0.000 0.997 19 V HN 0.656 nan 8.190 nan 0.000 0.436 20 D N 2.765 123.352 120.400 0.311 0.000 2.453 20 D HA 0.516 5.156 4.640 -0.001 0.000 0.238 20 D C 0.739 177.162 176.300 0.205 0.000 1.088 20 D CA 0.865 55.035 54.000 0.284 0.000 0.854 20 D CB 1.536 42.502 40.800 0.277 0.000 1.076 20 D HN 0.829 nan 8.370 nan 0.000 0.533 21 G N 4.879 113.772 108.800 0.156 0.000 2.602 21 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.310 21 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.310 21 G C 0.556 175.469 174.900 0.021 0.000 1.183 21 G CA 0.548 45.641 45.100 -0.012 0.000 0.979 21 G HN 0.578 nan 8.290 nan 0.000 0.545 22 Q N 0.286 120.066 119.800 -0.033 0.000 2.172 22 Q HA 0.267 4.607 4.340 -0.001 0.000 0.217 22 Q C 0.963 176.973 176.000 0.017 0.000 0.832 22 Q CA -0.214 55.595 55.803 0.011 0.000 1.010 22 Q CB 0.916 29.631 28.738 -0.039 0.000 1.133 22 Q HN 0.452 nan 8.270 nan 0.000 0.489 23 R N 1.781 122.315 120.500 0.057 0.000 2.215 23 R HA 0.223 4.562 4.340 -0.001 0.000 0.336 23 R C -0.877 175.467 176.300 0.073 0.000 0.996 23 R CA -0.588 55.546 56.100 0.057 0.000 0.847 23 R CB 0.498 30.841 30.300 0.071 0.000 1.127 23 R HN 0.059 nan 8.270 nan 0.000 0.465 24 L N 6.282 127.504 121.223 -0.001 0.000 2.462 24 L HA 0.050 4.390 4.340 -0.001 0.000 0.272 24 L C -0.293 176.592 176.870 0.025 0.000 1.166 24 L CA 0.575 55.379 54.840 -0.060 0.000 0.880 24 L CB 0.433 42.426 42.059 -0.108 0.000 1.142 24 L HN 0.753 nan 8.230 nan 0.000 0.473 25 Y N 0.965 121.214 120.300 -0.084 0.000 2.499 25 Y HA 0.569 5.118 4.550 -0.001 0.000 0.253 25 Y C -0.233 175.634 175.900 -0.054 0.000 1.105 25 Y CA -0.804 57.256 58.100 -0.067 0.000 1.240 25 Y CB 0.384 38.812 38.460 -0.054 0.000 1.289 25 Y HN 0.531 nan 8.280 nan 0.000 0.534 26 D N 0.785 120.917 120.400 -0.446 0.000 2.706 26 D HA 0.418 5.057 4.640 -0.001 0.000 0.225 26 D C -2.248 173.863 176.300 -0.315 0.000 1.241 26 D CA -0.280 53.528 54.000 -0.320 0.000 0.784 26 D CB 2.878 43.477 40.800 -0.334 0.000 1.521 26 D HN 0.157 nan 8.370 nan 0.000 0.461 27 L N 1.924 123.015 121.223 -0.221 0.000 2.445 27 L HA 0.623 4.963 4.340 -0.001 0.000 0.262 27 L C -1.748 175.030 176.870 -0.152 0.000 0.974 27 L CA -0.299 54.439 54.840 -0.170 0.000 0.822 27 L CB 2.085 44.088 42.059 -0.095 0.000 1.339 27 L HN 0.255 nan 8.230 nan 0.000 0.409 28 D N 3.814 124.140 120.400 -0.124 0.000 2.934 28 D HA 0.556 5.196 4.640 -0.001 0.000 0.230 28 D C -1.482 174.792 176.300 -0.044 0.000 1.204 28 D CA -0.058 53.879 54.000 -0.106 0.000 0.873 28 D CB 2.331 43.024 40.800 -0.179 0.000 1.645 28 D HN 0.510 nan 8.370 nan 0.000 0.502 29 I N 2.005 122.561 120.570 -0.023 0.000 2.534 29 I HA 0.291 4.460 4.170 -0.001 0.000 0.288 29 I C -0.371 175.743 176.117 -0.005 0.000 1.077 29 I CA -0.525 60.779 61.300 0.006 0.000 1.051 29 I CB 2.449 40.478 38.000 0.048 0.000 1.234 29 I HN 0.133 nan 8.210 nan 0.000 0.425 30 E N 3.675 123.866 120.200 -0.014 0.000 2.293 30 E HA 0.628 4.978 4.350 -0.001 0.000 0.270 30 E C -1.559 175.035 176.600 -0.011 0.000 0.879 30 E CA -0.454 55.937 56.400 -0.015 0.000 0.756 30 E CB 2.427 32.108 29.700 -0.031 0.000 1.208 30 E HN 0.481 nan 8.360 nan 0.000 0.428 31 S N 3.175 118.873 115.700 -0.003 0.000 2.541 31 S HA 0.558 5.027 4.470 -0.001 0.000 0.280 31 S C -2.711 171.889 174.600 -0.001 0.000 1.112 31 S CA -1.579 56.619 58.200 -0.003 0.000 0.925 31 S CB 1.289 64.490 63.200 0.003 0.000 1.067 31 S HN 0.266 nan 8.310 nan 0.000 0.479 32 P HA 0.238 nan 4.420 nan 0.000 0.263 32 P C 0.985 178.288 177.300 0.005 0.000 1.175 32 P CA 1.548 64.649 63.100 0.001 0.000 0.761 32 P CB 0.162 31.862 31.700 -0.000 0.000 0.794 33 G N 1.371 110.177 108.800 0.008 0.000 3.586 33 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.212 33 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.212 33 G C 0.875 175.785 174.900 0.017 0.000 1.411 33 G CA 0.327 45.434 45.100 0.013 0.000 0.898 33 G HN 0.885 nan 8.290 nan 0.000 0.575 34 H N 1.745 120.825 119.070 0.017 0.000 3.109 34 H HA 0.724 5.280 4.556 -0.001 0.000 0.298 34 H C 0.961 176.300 175.328 0.019 0.000 1.248 34 H CA 1.693 57.754 56.048 0.022 0.000 1.204 34 H CB -1.460 28.316 29.762 0.024 0.000 1.367 34 H HN 1.508 nan 8.280 nan 0.000 0.592 35 E N 0.454 120.665 120.200 0.018 0.000 2.404 35 E HA 0.266 4.616 4.350 -0.001 0.000 0.261 35 E C 0.448 177.060 176.600 0.021 0.000 1.074 35 E CA -0.033 56.374 56.400 0.012 0.000 0.917 35 E CB 0.183 29.888 29.700 0.008 0.000 0.965 35 E HN 0.972 nan 8.360 nan 0.000 0.433 36 Q N -0.442 119.365 119.800 0.013 0.000 2.364 36 Q HA 0.435 4.775 4.340 -0.001 0.000 0.267 36 Q C 0.798 176.820 176.000 0.037 0.000 0.999 36 Q CA 0.702 56.518 55.803 0.022 0.000 0.886 36 Q CB 0.896 29.640 28.738 0.010 0.000 1.243 36 Q HN 0.601 nan 8.270 nan 0.000 0.415 37 K N 3.591 124.028 120.400 0.062 0.000 2.412 37 K HA 0.115 4.435 4.320 -0.001 0.000 0.202 37 K C 0.449 177.109 176.600 0.100 0.000 1.102 37 K CA 0.353 56.703 56.287 0.104 0.000 1.027 37 K CB 0.270 32.861 32.500 0.152 0.000 0.931 37 K HN 0.668 nan 8.250 nan 0.000 0.557 38 K N 0.830 121.269 120.400 0.065 0.000 2.416 38 K HA 0.351 4.670 4.320 -0.001 0.000 0.283 38 K C 0.427 177.057 176.600 0.049 0.000 1.037 38 K CA 0.843 57.162 56.287 0.053 0.000 0.995 38 K CB 0.189 32.712 32.500 0.038 0.000 0.938 38 K HN 0.772 nan 8.250 nan 0.000 0.475 39 A N 2.528 125.382 122.820 0.057 0.000 3.168 39 A HA -0.160 4.160 4.320 -0.001 0.000 0.249 39 A C -0.405 177.227 177.584 0.080 0.000 1.280 39 A CA 0.554 52.629 52.037 0.063 0.000 1.128 39 A CB -2.155 16.877 19.000 0.053 0.000 1.160 39 A HN 0.855 nan 8.150 nan 0.000 0.900 40 N N -0.298 118.433 118.700 0.050 0.000 2.415 40 N HA 0.576 5.315 4.740 -0.001 0.000 0.248 40 N C -0.025 175.454 175.510 -0.052 0.000 1.271 40 N CA 0.589 53.611 53.050 -0.046 0.000 0.913 40 N CB 0.410 38.850 38.487 -0.078 0.000 1.129 40 N HN 0.590 nan 8.380 nan 0.000 0.444 41 I N 1.212 121.660 120.570 -0.204 0.000 2.545 41 I HA 0.359 4.529 4.170 -0.001 0.000 0.292 41 I C -0.903 174.982 176.117 -0.387 0.000 1.040 41 I CA -0.665 60.567 61.300 -0.113 0.000 1.068 41 I CB 1.148 39.194 38.000 0.078 0.000 1.251 41 I HN 0.340 nan 8.210 nan 0.000 0.424 42 Y N 2.786 123.083 120.300 -0.005 0.000 2.634 42 Y HA 0.667 5.216 4.550 -0.001 0.000 0.340 42 Y C 0.290 176.044 175.900 -0.243 0.000 1.058 42 Y CA -1.111 56.934 58.100 -0.091 0.000 1.081 42 Y CB 1.156 39.638 38.460 0.036 0.000 1.295 42 Y HN 0.407 nan 8.280 nan 0.000 0.487 43 K N 0.675 120.849 120.400 -0.377 0.000 2.299 43 K HA 0.697 5.017 4.320 -0.001 0.000 0.268 43 K C -0.173 176.313 176.600 -0.189 0.000 1.075 43 K CA -0.251 55.761 56.287 -0.458 0.000 0.936 43 K CB 0.271 32.105 32.500 -1.111 0.000 1.228 43 K HN 0.977 nan 8.250 nan 0.000 0.454 44 G N 0.413 109.188 108.800 -0.040 0.000 2.400 44 G HA2 0.620 4.580 3.960 -0.001 0.000 0.333 44 G HA3 0.620 4.580 3.960 -0.001 0.000 0.333 44 G C -0.268 174.641 174.900 0.015 0.000 1.143 44 G CA -0.245 44.872 45.100 0.028 0.000 0.914 44 G HN 0.920 nan 8.290 nan 0.000 0.480 45 K N 1.627 122.043 120.400 0.027 0.000 2.206 45 K HA 0.623 4.942 4.320 -0.001 0.000 0.264 45 K C 0.131 176.731 176.600 -0.001 0.000 0.967 45 K CA -0.818 55.476 56.287 0.013 0.000 0.844 45 K CB 1.078 33.589 32.500 0.017 0.000 1.099 45 K HN 0.583 nan 8.250 nan 0.000 0.441 46 I N 3.659 124.223 120.570 -0.009 0.000 2.581 46 I HA -0.067 4.103 4.170 -0.001 0.000 0.285 46 I C 1.325 177.425 176.117 -0.029 0.000 1.129 46 I CA 0.069 61.361 61.300 -0.013 0.000 1.397 46 I CB 0.727 38.717 38.000 -0.016 0.000 1.399 46 I HN 0.909 nan 8.210 nan 0.000 0.537 47 T N 6.529 121.055 114.554 -0.048 0.000 2.612 47 T HA -0.018 4.332 4.350 -0.001 0.000 0.251 47 T C 0.679 175.343 174.700 -0.060 0.000 1.090 47 T CA 0.837 62.864 62.100 -0.122 0.000 1.198 47 T CB 0.108 68.788 68.868 -0.314 0.000 0.878 47 T HN 0.639 nan 8.240 nan 0.000 0.401 48 R N 0.091 120.590 120.500 -0.002 0.000 2.744 48 R HA 0.677 5.017 4.340 -0.001 0.000 0.279 48 R C -1.356 175.009 176.300 0.108 0.000 0.977 48 R CA -0.714 55.396 56.100 0.017 0.000 0.906 48 R CB 1.343 31.613 30.300 -0.050 0.000 1.197 48 R HN 0.231 nan 8.270 nan 0.000 0.463 49 I N 1.250 121.861 120.570 0.070 0.000 2.793 49 I HA 0.319 4.488 4.170 -0.001 0.000 0.313 49 I C -0.184 175.989 176.117 0.094 0.000 0.998 49 I CA -0.999 60.346 61.300 0.075 0.000 1.140 49 I CB 1.858 39.875 38.000 0.029 0.000 1.327 49 I HN 0.597 nan 8.210 nan 0.000 0.491 50 E N 4.702 124.956 120.200 0.089 0.000 2.432 50 E HA 0.195 4.545 4.350 -0.001 0.000 0.272 50 E C -2.160 174.477 176.600 0.062 0.000 0.937 50 E CA -1.398 55.062 56.400 0.100 0.000 0.812 50 E CB 1.923 31.732 29.700 0.183 0.000 1.377 50 E HN 0.307 nan 8.360 nan 0.000 0.399 51 P HA -0.129 nan 4.420 nan 0.000 0.221 51 P C 1.491 178.819 177.300 0.047 0.000 1.150 51 P CA 0.825 63.946 63.100 0.035 0.000 0.800 51 P CB 0.529 32.246 31.700 0.028 0.000 0.787 52 S N -0.035 115.701 115.700 0.060 0.000 2.374 52 S HA -0.122 4.347 4.470 -0.001 0.000 0.227 52 S C 1.724 176.373 174.600 0.080 0.000 1.037 52 S CA 1.255 59.495 58.200 0.066 0.000 1.024 52 S CB -0.788 62.456 63.200 0.073 0.000 0.861 52 S HN 0.103 nan 8.310 nan 0.000 0.456 53 L N 0.194 121.481 121.223 0.106 0.000 2.693 53 L HA 0.450 4.790 4.340 -0.001 0.000 0.235 53 L C 1.290 178.219 176.870 0.097 0.000 1.127 53 L CA 0.643 55.565 54.840 0.136 0.000 0.914 53 L CB -0.561 41.641 42.059 0.240 0.000 1.193 53 L HN 0.464 nan 8.230 nan 0.000 0.502 54 E N -0.156 120.075 120.200 0.051 0.000 3.070 54 E HA -0.089 4.260 4.350 -0.001 0.000 0.285 54 E C 0.269 176.841 176.600 -0.046 0.000 0.972 54 E CA 0.840 57.248 56.400 0.013 0.000 0.915 54 E CB -2.049 27.666 29.700 0.026 0.000 1.466 54 E HN 0.715 nan 8.360 nan 0.000 0.432 55 A N -1.813 120.951 122.820 -0.094 0.000 2.533 55 A HA 1.161 5.481 4.320 -0.001 0.000 0.293 55 A C 0.033 177.459 177.584 -0.262 0.000 1.228 55 A CA 0.183 52.046 52.037 -0.291 0.000 0.689 55 A CB 0.942 19.542 19.000 -0.667 0.000 1.303 55 A HN 1.990 nan 8.150 nan 0.000 0.444 56 A N -1.006 121.563 122.820 -0.418 0.000 2.594 56 A HA 0.805 5.125 4.320 -0.001 0.000 0.291 56 A C -1.688 175.694 177.584 -0.336 0.000 1.105 56 A CA -0.451 51.469 52.037 -0.195 0.000 0.694 56 A CB 0.691 19.636 19.000 -0.092 0.000 1.291 56 A HN 0.891 nan 8.150 nan 0.000 0.410 57 F N 0.118 120.016 119.950 -0.086 0.000 2.458 57 F HA 0.622 5.148 4.527 -0.001 0.000 0.330 57 F C 0.131 175.910 175.800 -0.036 0.000 1.082 57 F CA -0.463 57.524 58.000 -0.022 0.000 0.995 57 F CB 2.279 41.302 39.000 0.038 0.000 1.170 57 F HN 0.291 nan 8.300 nan 0.000 0.478 58 V N 1.481 121.510 119.914 0.193 0.000 2.540 58 V HA 0.255 4.374 4.120 -0.001 0.000 0.302 58 V C -0.854 175.379 176.094 0.232 0.000 1.035 58 V CA -0.926 61.456 62.300 0.137 0.000 0.873 58 V CB 1.793 33.669 31.823 0.088 0.000 0.992 58 V HN 0.601 nan 8.190 nan 0.000 0.428 59 D N 3.216 123.685 120.400 0.116 0.000 2.422 59 D HA 0.154 4.793 4.640 -0.001 0.000 0.227 59 D C 0.513 176.880 176.300 0.113 0.000 1.190 59 D CA -0.296 53.799 54.000 0.159 0.000 0.905 59 D CB 0.707 41.557 40.800 0.082 0.000 1.034 59 D HN 0.678 nan 8.370 nan 0.000 0.507 60 Y N 1.913 122.181 120.300 -0.053 0.000 2.500 60 Y HA 0.410 4.960 4.550 -0.001 0.000 0.270 60 Y C 1.424 177.213 175.900 -0.185 0.000 1.134 60 Y CA 0.106 58.090 58.100 -0.194 0.000 1.293 60 Y CB 0.576 38.766 38.460 -0.450 0.000 1.063 60 Y HN 0.344 nan 8.280 nan 0.000 0.534 61 G N 0.024 108.533 108.800 -0.485 0.000 2.425 61 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.177 61 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.177 61 G C 0.395 175.084 174.900 -0.352 0.000 0.999 61 G CA -0.438 44.503 45.100 -0.264 0.000 0.723 61 G HN 0.721 nan 8.290 nan 0.000 0.491 62 A N 0.390 122.794 122.820 -0.693 0.000 2.429 62 A HA 0.627 4.947 4.320 -0.001 0.000 0.242 62 A C 1.554 178.960 177.584 -0.297 0.000 1.088 62 A CA 1.671 53.423 52.037 -0.474 0.000 0.784 62 A CB 0.006 18.655 19.000 -0.586 0.000 1.038 62 A HN 1.520 nan 8.150 nan 0.000 0.501 63 E N 0.270 120.348 120.200 -0.204 0.000 2.160 63 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 63 E C 1.218 177.653 176.600 -0.276 0.000 0.991 63 E CA 1.722 58.014 56.400 -0.180 0.000 0.810 63 E CB -0.207 29.423 29.700 -0.118 0.000 0.742 63 E HN 0.726 nan 8.360 nan 0.000 0.466 64 R N -0.211 120.127 120.500 -0.270 0.000 2.589 64 R HA 0.439 4.778 4.340 -0.001 0.000 0.293 64 R C -1.050 175.112 176.300 -0.230 0.000 0.963 64 R CA -0.572 55.348 56.100 -0.301 0.000 0.905 64 R CB 0.853 31.086 30.300 -0.112 0.000 1.144 64 R HN 0.503 nan 8.270 nan 0.000 0.459 65 H N 0.603 119.732 119.070 0.098 0.000 2.551 65 H HA 0.314 4.870 4.556 -0.001 0.000 0.358 65 H C 0.677 176.229 175.328 0.372 0.000 1.151 65 H CA -0.028 56.146 56.048 0.209 0.000 1.374 65 H CB 1.313 31.217 29.762 0.238 0.000 1.473 65 H HN 0.808 nan 8.280 nan 0.000 0.574 66 G N 0.674 109.809 108.800 0.558 0.000 2.528 66 G HA2 0.311 4.270 3.960 -0.001 0.000 0.289 66 G HA3 0.311 4.270 3.960 -0.001 0.000 0.289 66 G C -1.325 173.680 174.900 0.175 0.000 1.192 66 G CA -0.496 44.809 45.100 0.342 0.000 0.921 66 G HN 0.503 nan 8.290 nan 0.000 0.512 67 F N 0.830 120.689 119.950 -0.153 0.000 2.444 67 F HA 0.621 5.147 4.527 -0.001 0.000 0.342 67 F C -0.581 175.045 175.800 -0.290 0.000 1.121 67 F CA -1.197 56.544 58.000 -0.433 0.000 0.997 67 F CB 1.590 40.374 39.000 -0.359 0.000 1.130 67 F HN 0.271 nan 8.300 nan 0.000 0.454 68 L N 9.718 130.393 121.223 -0.913 0.000 2.401 68 L HA 0.510 4.849 4.340 -0.001 0.000 0.263 68 L C -2.500 173.966 176.870 -0.674 0.000 1.004 68 L CA -2.170 52.320 54.840 -0.583 0.000 0.881 68 L CB 1.477 43.336 42.059 -0.333 0.000 1.219 68 L HN 0.439 nan 8.230 nan 0.000 0.441 69 P HA 0.050 nan 4.420 nan 0.000 0.272 69 P C 1.094 178.293 177.300 -0.167 0.000 1.223 69 P CA -0.148 62.756 63.100 -0.328 0.000 0.784 69 P CB 1.099 32.765 31.700 -0.058 0.000 0.923 70 L N 2.651 123.811 121.223 -0.105 0.000 2.012 70 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 70 L C 2.820 179.696 176.870 0.010 0.000 1.073 70 L CA 3.473 58.284 54.840 -0.049 0.000 0.748 70 L CB -2.795 39.250 42.059 -0.024 0.000 0.891 70 L HN 0.536 nan 8.230 nan 0.000 0.431 71 K N -0.333 120.089 120.400 0.036 0.000 2.520 71 K HA -0.140 4.179 4.320 -0.001 0.000 0.197 71 K C 1.766 178.490 176.600 0.207 0.000 1.043 71 K CA 1.498 57.838 56.287 0.087 0.000 0.944 71 K CB -0.565 31.967 32.500 0.054 0.000 0.770 71 K HN 0.827 nan 8.250 nan 0.000 0.480 72 E N -1.448 118.847 120.200 0.159 0.000 2.489 72 E HA 0.198 4.547 4.350 -0.001 0.000 0.204 72 E C 0.601 177.165 176.600 -0.061 0.000 1.006 72 E CA 0.537 57.076 56.400 0.233 0.000 0.936 72 E CB -0.083 29.672 29.700 0.091 0.000 1.002 72 E HN 0.651 nan 8.360 nan 0.000 0.488 73 I N 1.422 121.937 120.570 -0.093 0.000 2.441 73 I HA 0.579 4.748 4.170 -0.001 0.000 0.287 73 I C 0.702 176.611 176.117 -0.347 0.000 1.049 73 I CA -0.691 60.471 61.300 -0.231 0.000 1.381 73 I CB 0.293 38.218 38.000 -0.125 0.000 1.409 73 I HN 0.036 nan 8.210 nan 0.000 0.523 74 A N 4.661 127.175 122.820 -0.509 0.000 2.409 74 A HA 0.617 4.936 4.320 -0.001 0.000 0.262 74 A C 1.794 179.299 177.584 -0.131 0.000 1.113 74 A CA 0.325 52.089 52.037 -0.454 0.000 0.790 74 A CB -0.068 18.668 19.000 -0.440 0.000 1.046 74 A HN 2.141 nan 8.150 nan 0.000 0.496 75 R N 1.221 121.716 120.500 -0.008 0.000 2.154 75 R HA -0.123 4.216 4.340 -0.001 0.000 0.248 75 R C 1.902 178.204 176.300 0.002 0.000 1.155 75 R CA 2.882 58.995 56.100 0.021 0.000 0.979 75 R CB -1.854 28.481 30.300 0.059 0.000 0.869 75 R HN 1.216 nan 8.270 nan 0.000 0.452 76 E N -1.382 118.816 120.200 -0.004 0.000 2.274 76 E HA 0.038 4.387 4.350 -0.001 0.000 0.194 76 E C 2.193 178.784 176.600 -0.014 0.000 0.996 76 E CA 1.229 57.631 56.400 0.003 0.000 0.840 76 E CB -1.069 28.646 29.700 0.026 0.000 0.772 76 E HN 1.193 nan 8.360 nan 0.000 0.491 77 Y N -2.003 118.271 120.300 -0.043 0.000 2.482 77 Y HA 0.522 5.072 4.550 -0.001 0.000 0.270 77 Y C 1.413 177.291 175.900 -0.037 0.000 1.152 77 Y CA -0.047 58.025 58.100 -0.047 0.000 1.292 77 Y CB -0.803 37.608 38.460 -0.081 0.000 1.070 77 Y HN 0.690 nan 8.280 nan 0.000 0.528 78 F N 2.225 122.157 119.950 -0.029 0.000 2.303 78 F HA 0.712 5.239 4.527 -0.001 0.000 0.368 78 F C -1.371 174.424 175.800 -0.009 0.000 1.105 78 F CA -3.762 54.227 58.000 -0.019 0.000 1.153 78 F CB -0.761 38.230 39.000 -0.015 0.000 1.362 78 F HN 0.221 nan 8.300 nan 0.000 0.511 88 P HA 0.812 nan 4.420 nan 0.000 0.292 88 P C -0.173 177.132 177.300 0.007 0.000 1.304 88 P CA -0.146 62.959 63.100 0.008 0.000 0.848 88 P CB 0.921 32.624 31.700 0.006 0.000 1.260 89 N N -1.549 117.155 118.700 0.006 0.000 2.495 89 N HA 0.497 5.237 4.740 -0.001 0.000 0.280 89 N C 1.302 176.811 175.510 -0.000 0.000 1.168 89 N CA -0.114 52.939 53.050 0.006 0.000 0.978 89 N CB 0.148 38.640 38.487 0.008 0.000 1.191 89 N HN 0.559 nan 8.380 nan 0.000 0.497 90 I N -0.027 120.541 120.570 -0.004 0.000 2.493 90 I HA 0.101 4.271 4.170 -0.001 0.000 0.254 90 I C 2.731 178.842 176.117 -0.010 0.000 1.160 90 I CA 2.359 63.650 61.300 -0.015 0.000 1.445 90 I CB -2.115 35.868 38.000 -0.029 0.000 1.086 90 I HN 1.034 nan 8.210 nan 0.000 0.433 91 K N 0.250 120.650 120.400 -0.000 0.000 2.442 91 K HA -0.249 4.071 4.320 -0.001 0.000 0.200 91 K C 1.648 178.248 176.600 -0.001 0.000 1.045 91 K CA 1.852 58.140 56.287 0.002 0.000 0.937 91 K CB -1.120 31.385 32.500 0.007 0.000 0.757 91 K HN 0.854 nan 8.250 nan 0.000 0.474 92 D N -1.082 119.316 120.400 -0.003 0.000 2.355 92 D HA 0.059 4.699 4.640 -0.001 0.000 0.206 92 D C 1.549 177.845 176.300 -0.006 0.000 1.010 92 D CA 0.777 54.776 54.000 -0.002 0.000 0.875 92 D CB 0.751 41.551 40.800 0.000 0.000 0.966 92 D HN 0.255 nan 8.370 nan 0.000 0.512 93 V N 1.130 121.037 119.914 -0.011 0.000 2.521 93 V HA 0.123 4.243 4.120 -0.001 0.000 0.239 93 V C 1.039 177.120 176.094 -0.021 0.000 1.053 93 V CA 0.765 63.056 62.300 -0.016 0.000 1.073 93 V CB -0.004 31.806 31.823 -0.022 0.000 0.746 93 V HN 0.137 nan 8.190 nan 0.000 0.476 94 L N -0.113 121.095 121.223 -0.025 0.000 2.334 94 L HA 0.994 5.334 4.340 -0.001 0.000 0.272 94 L C 0.265 177.125 176.870 -0.017 0.000 1.020 94 L CA -0.427 54.397 54.840 -0.026 0.000 0.812 94 L CB 0.347 42.383 42.059 -0.038 0.000 1.264 94 L HN 0.366 nan 8.230 nan 0.000 0.439 95 R N 0.841 121.332 120.500 -0.014 0.000 2.596 95 R HA 0.699 5.039 4.340 -0.001 0.000 0.267 95 R C 0.175 176.469 176.300 -0.010 0.000 1.026 95 R CA -0.065 56.030 56.100 -0.009 0.000 1.087 95 R CB 0.239 30.535 30.300 -0.007 0.000 1.132 95 R HN 1.055 nan 8.270 nan 0.000 0.531 96 E N 0.327 120.523 120.200 -0.008 0.000 2.324 96 E HA 0.374 4.724 4.350 -0.001 0.000 0.271 96 E C 0.637 177.231 176.600 -0.010 0.000 1.028 96 E CA 1.068 57.462 56.400 -0.010 0.000 0.890 96 E CB 0.370 30.064 29.700 -0.011 0.000 1.004 96 E HN 1.087 nan 8.360 nan 0.000 0.431 97 G N 3.742 112.534 108.800 -0.012 0.000 2.157 97 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.239 97 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.239 97 G C 0.055 174.954 174.900 -0.001 0.000 0.982 97 G CA 0.304 45.400 45.100 -0.007 0.000 0.650 97 G HN 0.585 nan 8.290 nan 0.000 0.527 98 Q N 0.889 120.686 119.800 -0.005 0.000 2.296 98 Q HA 0.581 4.921 4.340 -0.001 0.000 0.257 98 Q C 0.527 176.525 176.000 -0.003 0.000 0.942 98 Q CA 0.500 56.301 55.803 -0.004 0.000 0.939 98 Q CB 0.547 29.279 28.738 -0.010 0.000 1.198 98 Q HN 0.730 nan 8.270 nan 0.000 0.429 99 E N 2.027 122.231 120.200 0.005 0.000 2.425 99 E HA 0.430 4.779 4.350 -0.001 0.000 0.258 99 E C -0.844 175.751 176.600 -0.009 0.000 1.151 99 E CA 0.128 56.533 56.400 0.007 0.000 0.958 99 E CB 1.404 31.119 29.700 0.025 0.000 0.968 99 E HN 0.578 nan 8.360 nan 0.000 0.451 100 V N -1.156 118.748 119.914 -0.018 0.000 3.036 100 V HA 0.515 4.634 4.120 -0.001 0.000 0.280 100 V C -0.645 175.432 176.094 -0.028 0.000 1.497 100 V CA 0.037 62.321 62.300 -0.027 0.000 0.982 100 V CB 1.120 32.919 31.823 -0.040 0.000 1.171 100 V HN 1.517 nan 8.190 nan 0.000 0.444 101 I N 5.229 125.791 120.570 -0.013 0.000 2.379 101 I HA 0.811 4.981 4.170 -0.001 0.000 0.290 101 I C -0.234 175.893 176.117 0.017 0.000 1.063 101 I CA 0.100 61.409 61.300 0.015 0.000 1.351 101 I CB 0.848 38.896 38.000 0.080 0.000 1.410 101 I HN 0.585 nan 8.210 nan 0.000 0.505 102 V N 5.809 125.742 119.914 0.031 0.000 2.588 102 V HA 0.568 4.687 4.120 -0.001 0.000 0.304 102 V C -0.171 175.966 176.094 0.073 0.000 1.042 102 V CA -0.663 61.652 62.300 0.025 0.000 0.877 102 V CB 1.639 33.460 31.823 -0.002 0.000 0.996 102 V HN 1.020 nan 8.190 nan 0.000 0.425 103 Q N 3.411 123.234 119.800 0.037 0.000 2.345 103 Q HA 0.632 4.972 4.340 -0.001 0.000 0.268 103 Q C -1.211 174.796 176.000 0.012 0.000 1.054 103 Q CA -0.770 55.066 55.803 0.055 0.000 0.835 103 Q CB 2.136 30.905 28.738 0.051 0.000 1.339 103 Q HN 0.729 nan 8.270 nan 0.000 0.447 104 I N 3.890 124.477 120.570 0.028 0.000 2.322 104 I HA 0.029 4.198 4.170 -0.001 0.000 0.292 104 I C 0.172 176.294 176.117 0.008 0.000 1.060 104 I CA -0.306 60.983 61.300 -0.018 0.000 1.309 104 I CB 0.896 38.901 38.000 0.009 0.000 1.415 104 I HN 0.758 nan 8.210 nan 0.000 0.492 105 D N 5.295 125.696 120.400 0.002 0.000 2.123 105 D HA -0.006 4.634 4.640 -0.001 0.000 0.200 105 D C 0.194 176.504 176.300 0.016 0.000 0.976 105 D CA 1.578 55.587 54.000 0.016 0.000 0.831 105 D CB 0.356 41.171 40.800 0.024 0.000 0.974 105 D HN 0.457 nan 8.370 nan 0.000 0.469 106 K N 0.762 121.170 120.400 0.013 0.000 2.513 106 K HA 0.227 4.546 4.320 -0.001 0.000 0.251 106 K C -0.470 176.142 176.600 0.021 0.000 0.939 106 K CA -0.658 55.639 56.287 0.016 0.000 0.793 106 K CB 2.814 35.322 32.500 0.013 0.000 1.241 106 K HN -0.151 nan 8.250 nan 0.000 0.431 107 E N 1.907 122.125 120.200 0.030 0.000 2.461 107 E HA -0.081 4.269 4.350 -0.001 0.000 0.263 107 E C -0.431 176.195 176.600 0.044 0.000 1.143 107 E CA 0.440 56.867 56.400 0.045 0.000 0.994 107 E CB 0.477 30.202 29.700 0.043 0.000 0.973 107 E HN 0.465 nan 8.360 nan 0.000 0.457 108 E N 1.101 121.338 120.200 0.062 0.000 2.415 108 E HA 0.009 4.359 4.350 -0.001 0.000 0.263 108 E C 0.101 176.722 176.600 0.035 0.000 0.995 108 E CA 0.537 56.971 56.400 0.057 0.000 0.915 108 E CB 0.603 30.345 29.700 0.070 0.000 0.951 108 E HN 0.165 nan 8.360 nan 0.000 0.449 109 R N 2.095 122.608 120.500 0.021 0.000 2.621 109 R HA 0.378 4.717 4.340 -0.001 0.000 0.292 109 R C 0.667 176.972 176.300 0.007 0.000 0.969 109 R CA 0.327 56.433 56.100 0.011 0.000 0.887 109 R CB 1.243 31.543 30.300 -0.001 0.000 1.180 109 R HN 0.694 nan 8.270 nan 0.000 0.450 110 G N 3.417 112.222 108.800 0.008 0.000 2.704 110 G HA2 -0.467 3.492 3.960 -0.001 0.000 0.344 110 G HA3 -0.467 3.492 3.960 -0.001 0.000 0.344 110 G C 0.508 175.413 174.900 0.009 0.000 1.200 110 G CA 0.975 46.079 45.100 0.006 0.000 0.962 110 G HN 0.645 nan 8.290 nan 0.000 0.552 111 N N 1.353 120.057 118.700 0.006 0.000 2.432 111 N HA 0.118 4.857 4.740 -0.001 0.000 0.174 111 N C 0.988 176.514 175.510 0.027 0.000 1.037 111 N CA 0.925 53.983 53.050 0.013 0.000 0.892 111 N CB -0.032 38.460 38.487 0.009 0.000 1.049 111 N HN 0.679 nan 8.380 nan 0.000 0.442 112 K N 0.305 120.715 120.400 0.015 0.000 2.508 112 K HA 0.065 4.385 4.320 -0.001 0.000 0.273 112 K C 1.175 177.816 176.600 0.069 0.000 0.964 112 K CA 0.346 56.647 56.287 0.023 0.000 0.948 112 K CB 0.324 32.800 32.500 -0.040 0.000 0.917 112 K HN 0.097 nan 8.250 nan 0.000 0.512 113 G N 0.516 109.393 108.800 0.129 0.000 2.832 113 G HA2 0.355 4.314 3.960 -0.001 0.000 0.187 113 G HA3 0.355 4.314 3.960 -0.001 0.000 0.187 113 G C -0.666 174.314 174.900 0.133 0.000 1.817 113 G CA 0.389 45.591 45.100 0.170 0.000 0.896 113 G HN 0.713 nan 8.290 nan 0.000 0.453 114 A N -1.585 121.319 122.820 0.139 0.000 2.520 114 A HA 0.751 5.071 4.320 -0.001 0.000 0.298 114 A C -0.274 177.341 177.584 0.052 0.000 1.051 114 A CA 0.161 52.235 52.037 0.061 0.000 0.690 114 A CB 1.279 20.283 19.000 0.006 0.000 1.281 114 A HN 1.572 nan 8.150 nan 0.000 0.402 115 A N 1.785 124.636 122.820 0.051 0.000 2.409 115 A HA 0.656 4.976 4.320 -0.001 0.000 0.262 115 A C -0.315 177.273 177.584 0.007 0.000 1.113 115 A CA 0.090 52.185 52.037 0.096 0.000 0.790 115 A CB -0.260 18.799 19.000 0.098 0.000 1.046 115 A HN 0.893 nan 8.150 nan 0.000 0.496 116 L N 1.317 122.527 121.223 -0.022 0.000 2.341 116 L HA 0.752 5.091 4.340 -0.001 0.000 0.267 116 L C 0.281 177.125 176.870 -0.043 0.000 1.009 116 L CA -0.578 54.219 54.840 -0.072 0.000 0.819 116 L CB 2.409 44.385 42.059 -0.139 0.000 1.323 116 L HN 0.703 nan 8.230 nan 0.000 0.425 117 T N -1.814 112.727 114.554 -0.021 0.000 2.906 117 T HA 0.353 4.703 4.350 -0.001 0.000 0.295 117 T C 0.676 175.347 174.700 -0.048 0.000 1.061 117 T CA 0.098 62.199 62.100 0.001 0.000 1.000 117 T CB 1.642 70.573 68.868 0.105 0.000 1.103 117 T HN 0.815 nan 8.240 nan 0.000 0.486 118 T N 0.651 115.112 114.554 -0.156 0.000 3.057 118 T HA 0.226 4.575 4.350 -0.001 0.000 0.254 118 T C 0.574 175.131 174.700 -0.238 0.000 1.094 118 T CA 0.151 62.121 62.100 -0.217 0.000 1.088 118 T CB -0.469 68.208 68.868 -0.318 0.000 0.934 118 T HN 0.447 nan 8.240 nan 0.000 0.497 119 F N 2.548 122.474 119.950 -0.039 0.000 2.685 119 F HA 0.416 4.943 4.527 -0.000 0.000 0.349 119 F C 0.567 176.316 175.800 -0.086 0.000 1.294 119 F CA -1.840 56.119 58.000 -0.068 0.000 1.201 119 F CB -1.128 37.834 39.000 -0.063 0.000 1.615 119 F HN 0.120 nan 8.300 nan 0.000 0.674 120 I N 1.765 122.340 120.570 0.008 0.000 2.752 120 I HA 0.015 4.185 4.170 -0.001 0.000 0.287 120 I C 0.555 176.616 176.117 -0.094 0.000 1.188 120 I CA 0.309 61.587 61.300 -0.037 0.000 1.427 120 I CB 0.578 38.553 38.000 -0.041 0.000 1.365 120 I HN 0.444 nan 8.210 nan 0.000 0.585 121 S N 7.023 122.683 115.700 -0.067 0.000 2.521 121 S HA 0.709 5.178 4.470 -0.001 0.000 0.295 121 S C -0.871 173.669 174.600 -0.100 0.000 1.098 121 S CA -0.955 57.190 58.200 -0.091 0.000 0.999 121 S CB 1.488 64.654 63.200 -0.056 0.000 1.034 121 S HN 0.451 nan 8.310 nan 0.000 0.483 122 L N 2.695 123.839 121.223 -0.130 0.000 2.318 122 L HA 0.692 5.032 4.340 -0.001 0.000 0.277 122 L C 0.144 176.944 176.870 -0.116 0.000 1.008 122 L CA -0.823 53.922 54.840 -0.158 0.000 0.846 122 L CB 1.498 43.440 42.059 -0.195 0.000 1.220 122 L HN 0.937 nan 8.230 nan 0.000 0.423 123 A N 2.557 125.318 122.820 -0.098 0.000 2.328 123 A HA 0.776 5.096 4.320 -0.001 0.000 0.284 123 A C 0.386 177.932 177.584 -0.062 0.000 1.160 123 A CA 0.002 52.000 52.037 -0.066 0.000 0.818 123 A CB 0.877 19.847 19.000 -0.050 0.000 1.087 123 A HN 0.746 nan 8.150 nan 0.000 0.504 124 G N 0.134 108.908 108.800 -0.044 0.000 2.938 124 G HA2 0.450 4.410 3.960 -0.001 0.000 0.258 124 G HA3 0.450 4.410 3.960 -0.001 0.000 0.258 124 G C 0.867 175.708 174.900 -0.098 0.000 1.356 124 G CA 0.366 45.441 45.100 -0.042 0.000 1.052 124 G HN 0.603 nan 8.290 nan 0.000 0.550 125 S N -1.013 114.568 115.700 -0.200 0.000 2.356 125 S HA -0.100 4.369 4.470 -0.001 0.000 0.223 125 S C 1.682 176.017 174.600 -0.441 0.000 1.032 125 S CA 1.585 59.517 58.200 -0.447 0.000 1.005 125 S CB -0.346 62.359 63.200 -0.826 0.000 0.867 125 S HN 0.524 nan 8.310 nan 0.000 0.449 126 Y N -0.583 119.747 120.300 0.050 0.000 2.430 126 Y HA 0.560 5.110 4.550 -0.001 0.000 0.248 126 Y C 0.038 175.955 175.900 0.028 0.000 1.108 126 Y CA -0.588 57.535 58.100 0.039 0.000 1.264 126 Y CB 0.335 38.828 38.460 0.055 0.000 1.172 126 Y HN 0.081 nan 8.280 nan 0.000 0.520 127 L N -0.532 120.772 121.223 0.135 0.000 2.393 127 L HA 0.682 5.022 4.340 -0.001 0.000 0.260 127 L C -1.003 175.881 176.870 0.023 0.000 1.002 127 L CA -1.418 53.472 54.840 0.084 0.000 0.818 127 L CB 2.445 44.564 42.059 0.099 0.000 1.369 127 L HN -0.336 nan 8.230 nan 0.000 0.412 128 V N 3.231 123.146 119.914 0.001 0.000 2.483 128 V HA 0.464 4.583 4.120 -0.001 0.000 0.297 128 V C -0.631 175.436 176.094 -0.046 0.000 1.027 128 V CA -0.740 61.541 62.300 -0.031 0.000 0.855 128 V CB 1.755 33.555 31.823 -0.038 0.000 0.995 128 V HN 0.526 nan 8.190 nan 0.000 0.424 129 L N 6.430 127.611 121.223 -0.070 0.000 2.312 129 L HA 0.592 4.932 4.340 -0.001 0.000 0.281 129 L C 0.058 176.837 176.870 -0.151 0.000 1.070 129 L CA 0.158 54.937 54.840 -0.102 0.000 0.805 129 L CB 1.297 43.290 42.059 -0.110 0.000 1.174 129 L HN 0.584 nan 8.230 nan 0.000 0.434 130 M N 7.531 127.037 119.600 -0.158 0.000 2.999 130 M HA 0.281 4.760 4.480 -0.001 0.000 0.206 130 M C -1.810 174.340 176.300 -0.249 0.000 1.111 130 M CA -1.640 53.554 55.300 -0.176 0.000 0.946 130 M CB 0.579 33.114 32.600 -0.109 0.000 1.330 130 M HN 0.347 nan 8.290 nan 0.000 0.533 131 P HA -0.170 nan 4.420 nan 0.000 0.220 131 P C 0.997 178.057 177.300 -0.401 0.000 1.144 131 P CA 1.550 64.275 63.100 -0.626 0.000 0.800 131 P CB 0.164 30.872 31.700 -1.654 0.000 0.772 132 N N 0.110 118.620 118.700 -0.316 0.000 2.424 132 N HA -0.039 4.701 4.740 -0.001 0.000 0.178 132 N C 0.027 175.604 175.510 0.113 0.000 1.060 132 N CA 0.109 53.112 53.050 -0.078 0.000 0.901 132 N CB -0.063 38.395 38.487 -0.048 0.000 0.979 132 N HN 0.209 nan 8.380 nan 0.000 0.451 133 N N -1.277 117.463 118.700 0.065 0.000 2.455 133 N HA 0.180 4.920 4.740 -0.001 0.000 0.285 133 N C -2.803 172.692 175.510 -0.024 0.000 1.080 133 N CA -1.101 51.987 53.050 0.065 0.000 0.932 133 N CB 2.234 40.763 38.487 0.070 0.000 1.610 133 N HN -0.197 nan 8.380 nan 0.000 0.493 134 P HA -0.031 nan 4.420 nan 0.000 0.224 134 P C 1.115 178.386 177.300 -0.047 0.000 1.157 134 P CA 0.630 63.712 63.100 -0.029 0.000 0.799 134 P CB 0.561 32.254 31.700 -0.011 0.000 0.809 135 R N 0.248 120.711 120.500 -0.061 0.000 2.388 135 R HA -0.025 4.315 4.340 -0.001 0.000 0.233 135 R C 0.298 176.545 176.300 -0.087 0.000 1.156 135 R CA 0.615 56.669 56.100 -0.077 0.000 1.036 135 R CB -0.341 29.895 30.300 -0.108 0.000 0.847 135 R HN 0.143 nan 8.270 nan 0.000 0.483 136 A N -0.672 122.095 122.820 -0.089 0.000 2.386 136 A HA 0.726 5.045 4.320 -0.001 0.000 0.311 136 A C -0.474 177.071 177.584 -0.064 0.000 1.068 136 A CA -0.075 51.909 52.037 -0.089 0.000 0.743 136 A CB 2.028 20.956 19.000 -0.120 0.000 1.258 136 A HN 0.307 nan 8.150 nan 0.000 0.429 137 G N -0.746 108.022 108.800 -0.053 0.000 2.339 137 G HA2 0.733 4.692 3.960 -0.001 0.000 0.302 137 G HA3 0.733 4.692 3.960 -0.001 0.000 0.302 137 G C -0.189 174.693 174.900 -0.029 0.000 1.425 137 G CA 0.589 45.666 45.100 -0.038 0.000 0.899 137 G HN 2.633 nan 8.290 nan 0.000 0.619 138 G N -1.129 107.659 108.800 -0.020 0.000 2.334 138 G HA2 0.536 4.496 3.960 -0.001 0.000 0.249 138 G HA3 0.536 4.496 3.960 -0.001 0.000 0.249 138 G C -0.850 174.046 174.900 -0.008 0.000 1.327 138 G CA 0.095 45.186 45.100 -0.014 0.000 0.979 138 G HN 2.000 nan 8.290 nan 0.000 0.471 139 I N -1.310 119.256 120.570 -0.007 0.000 2.441 139 I HA 0.732 4.901 4.170 -0.001 0.000 0.295 139 I C 0.601 176.716 176.117 -0.004 0.000 0.994 139 I CA -0.639 60.660 61.300 -0.002 0.000 1.144 139 I CB 1.970 39.969 38.000 -0.002 0.000 1.314 139 I HN 0.710 nan 8.210 nan 0.000 0.445 140 S N 3.907 119.607 115.700 0.000 0.000 2.673 140 S HA 0.025 4.495 4.470 -0.001 0.000 0.308 140 S C 1.536 176.133 174.600 -0.005 0.000 1.246 140 S CA 0.675 58.873 58.200 -0.003 0.000 1.077 140 S CB 0.423 63.625 63.200 0.002 0.000 0.814 140 S HN 0.916 nan 8.310 nan 0.000 0.503 141 R N 4.731 125.226 120.500 -0.009 0.000 2.377 141 R HA 0.051 4.390 4.340 -0.001 0.000 0.207 141 R C 1.900 178.197 176.300 -0.006 0.000 1.075 141 R CA 1.713 57.808 56.100 -0.008 0.000 1.035 141 R CB -0.944 29.349 30.300 -0.010 0.000 0.857 141 R HN 0.873 nan 8.270 nan 0.000 0.475 142 R N -0.242 120.255 120.500 -0.004 0.000 2.310 142 R HA 0.253 4.593 4.340 -0.001 0.000 0.202 142 R C 0.253 176.555 176.300 0.002 0.000 0.933 142 R CA 0.141 56.240 56.100 -0.001 0.000 1.054 142 R CB 0.075 30.374 30.300 -0.002 0.000 0.985 142 R HN 0.363 nan 8.270 nan 0.000 0.489 151 L N 0.188 121.405 121.223 -0.010 0.000 2.286 151 L HA 0.680 5.019 4.340 -0.001 0.000 0.203 151 L C 2.973 179.840 176.870 -0.004 0.000 1.068 151 L CA 2.412 57.246 54.840 -0.009 0.000 0.811 151 L CB -1.583 40.471 42.059 -0.009 0.000 0.989 151 L HN 0.892 nan 8.230 nan 0.000 0.467 152 K N 0.614 121.011 120.400 -0.004 0.000 2.127 152 K HA -0.288 4.032 4.320 -0.001 0.000 0.212 152 K C 2.178 178.776 176.600 -0.002 0.000 1.050 152 K CA 3.354 59.639 56.287 -0.003 0.000 0.929 152 K CB -1.745 30.753 32.500 -0.004 0.000 0.715 152 K HN 1.078 nan 8.250 nan 0.000 0.457 153 E N -0.400 119.797 120.200 -0.003 0.000 2.158 153 E HA 0.432 4.781 4.350 -0.001 0.000 0.191 153 E C 2.343 178.942 176.600 -0.001 0.000 0.982 153 E CA 1.320 57.719 56.400 -0.003 0.000 0.823 153 E CB -0.474 29.224 29.700 -0.004 0.000 0.766 153 E HN 0.905 nan 8.360 nan 0.000 0.468 154 A N 0.070 122.889 122.820 -0.002 0.000 1.997 154 A HA 0.447 4.767 4.320 -0.001 0.000 0.212 154 A C 2.736 180.324 177.584 0.006 0.000 1.178 154 A CA 1.474 53.511 52.037 -0.000 0.000 0.698 154 A CB -0.564 18.431 19.000 -0.009 0.000 0.842 154 A HN 1.117 nan 8.150 nan 0.000 0.458 155 L N -0.526 120.701 121.223 0.006 0.000 2.013 155 L HA 0.064 4.404 4.340 -0.001 0.000 0.212 155 L C 2.916 179.792 176.870 0.010 0.000 1.073 155 L CA 2.859 57.705 54.840 0.010 0.000 0.753 155 L CB -2.151 39.912 42.059 0.006 0.000 0.890 155 L HN 0.661 nan 8.230 nan 0.000 0.432 156 A N 0.051 122.875 122.820 0.007 0.000 1.978 156 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 156 A C 2.752 180.342 177.584 0.011 0.000 1.170 156 A CA 2.481 54.523 52.037 0.007 0.000 0.636 156 A CB -0.861 18.142 19.000 0.004 0.000 0.810 156 A HN 1.367 nan 8.150 nan 0.000 0.448 157 S N -1.344 114.363 115.700 0.013 0.000 2.470 157 S HA 0.361 4.831 4.470 -0.001 0.000 0.225 157 S C 1.007 175.620 174.600 0.023 0.000 1.006 157 S CA 0.450 58.659 58.200 0.016 0.000 0.934 157 S CB -1.464 61.744 63.200 0.015 0.000 0.778 157 S HN 1.183 nan 8.310 nan 0.000 0.517 158 L N 1.266 122.505 121.223 0.026 0.000 2.492 158 L HA 0.689 5.029 4.340 -0.001 0.000 0.280 158 L C 0.756 177.644 176.870 0.030 0.000 1.240 158 L CA 0.320 55.180 54.840 0.035 0.000 0.831 158 L CB -1.414 40.668 42.059 0.039 0.000 1.100 158 L HN 0.675 nan 8.230 nan 0.000 0.505 159 E N 2.322 122.542 120.200 0.034 0.000 2.261 159 E HA 0.668 5.018 4.350 -0.001 0.000 0.239 159 E C -0.378 176.240 176.600 0.029 0.000 0.991 159 E CA 0.125 56.543 56.400 0.029 0.000 0.847 159 E CB 0.227 29.945 29.700 0.030 0.000 1.223 159 E HN 2.446 nan 8.360 nan 0.000 0.446 160 L N 1.525 122.762 121.223 0.024 0.000 2.265 160 L HA 0.775 5.115 4.340 -0.001 0.000 0.288 160 L C -1.757 175.126 176.870 0.021 0.000 1.058 160 L CA -2.009 52.843 54.840 0.020 0.000 0.809 160 L CB 0.408 42.473 42.059 0.010 0.000 1.179 160 L HN 0.471 nan 8.230 nan 0.000 0.429 161 P HA 0.344 nan 4.420 nan 0.000 0.261 161 P C 1.341 178.658 177.300 0.027 0.000 1.173 161 P CA 0.831 63.952 63.100 0.036 0.000 0.760 161 P CB 0.496 32.231 31.700 0.057 0.000 0.783 162 E N 2.881 123.097 120.200 0.027 0.000 2.086 162 E HA -0.231 4.119 4.350 -0.001 0.000 0.205 162 E C 2.078 178.691 176.600 0.020 0.000 1.027 162 E CA 2.102 58.515 56.400 0.022 0.000 0.830 162 E CB -1.734 27.980 29.700 0.023 0.000 0.751 162 E HN 0.702 nan 8.360 nan 0.000 0.456 163 G N 0.145 108.963 108.800 0.031 0.000 2.990 163 G HA2 0.316 4.276 3.960 -0.001 0.000 0.206 163 G HA3 0.316 4.276 3.960 -0.001 0.000 0.206 163 G C 0.716 175.624 174.900 0.014 0.000 1.169 163 G CA 0.726 45.846 45.100 0.032 0.000 0.819 163 G HN 0.688 nan 8.290 nan 0.000 0.517 164 M N -1.516 118.081 119.600 -0.005 0.000 2.484 164 M HA 0.725 5.205 4.480 -0.001 0.000 0.289 164 M C -0.317 175.960 176.300 -0.038 0.000 1.206 164 M CA -0.954 54.322 55.300 -0.039 0.000 0.892 164 M CB 2.103 34.656 32.600 -0.079 0.000 1.712 164 M HN -0.093 nan 8.290 nan 0.000 0.462 165 G N 2.052 110.819 108.800 -0.054 0.000 2.568 165 G HA2 0.886 4.846 3.960 -0.001 0.000 0.313 165 G HA3 0.886 4.846 3.960 -0.001 0.000 0.313 165 G C -1.378 173.489 174.900 -0.055 0.000 1.227 165 G CA -1.113 43.958 45.100 -0.047 0.000 0.979 165 G HN 1.095 nan 8.290 nan 0.000 0.486 166 L N -1.682 119.517 121.223 -0.039 0.000 2.469 166 L HA 0.809 5.149 4.340 -0.001 0.000 0.256 166 L C -1.581 175.275 176.870 -0.022 0.000 1.006 166 L CA -1.244 53.576 54.840 -0.034 0.000 0.832 166 L CB 2.195 44.243 42.059 -0.018 0.000 1.421 166 L HN 0.432 nan 8.230 nan 0.000 0.410 167 I N 1.880 122.440 120.570 -0.018 0.000 2.474 167 I HA 0.446 4.616 4.170 -0.001 0.000 0.294 167 I C -0.329 175.796 176.117 0.013 0.000 1.005 167 I CA -1.125 60.170 61.300 -0.009 0.000 1.113 167 I CB 2.210 40.198 38.000 -0.019 0.000 1.289 167 I HN 0.332 nan 8.210 nan 0.000 0.436 168 V N 5.932 125.858 119.914 0.020 0.000 2.488 168 V HA 0.267 4.387 4.120 -0.001 0.000 0.277 168 V C 0.524 176.643 176.094 0.043 0.000 1.046 168 V CA -0.369 61.957 62.300 0.044 0.000 0.986 168 V CB 1.075 32.919 31.823 0.035 0.000 0.989 168 V HN 0.662 nan 8.190 nan 0.000 0.475 169 R N 2.605 123.147 120.500 0.071 0.000 2.649 169 R HA 0.252 4.592 4.340 -0.001 0.000 0.270 169 R C 1.485 177.822 176.300 0.061 0.000 1.105 169 R CA 0.297 56.429 56.100 0.053 0.000 1.193 169 R CB 0.467 30.804 30.300 0.063 0.000 1.120 169 R HN 0.812 nan 8.270 nan 0.000 0.561 170 T N 0.762 115.336 114.554 0.034 0.000 2.881 170 T HA -0.152 4.198 4.350 -0.001 0.000 0.270 170 T C 1.399 176.145 174.700 0.077 0.000 1.068 170 T CA 1.501 63.623 62.100 0.036 0.000 1.131 170 T CB -0.142 68.732 68.868 0.010 0.000 0.871 170 T HN 0.658 nan 8.240 nan 0.000 0.479 171 A N 1.059 123.950 122.820 0.119 0.000 2.206 171 A HA 0.380 4.700 4.320 -0.001 0.000 0.211 171 A C 2.449 180.221 177.584 0.313 0.000 1.158 171 A CA 0.914 53.078 52.037 0.213 0.000 0.761 171 A CB -0.815 18.299 19.000 0.189 0.000 0.801 171 A HN 0.488 nan 8.150 nan 0.000 0.473 172 G N -0.663 108.273 108.800 0.228 0.000 2.509 172 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.218 172 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.218 172 G C 1.446 176.336 174.900 -0.017 0.000 1.124 172 G CA 0.904 46.051 45.100 0.078 0.000 0.776 172 G HN 0.343 nan 8.290 nan 0.000 0.547 173 V N 1.087 121.018 119.914 0.029 0.000 2.317 173 V HA -0.094 4.026 4.120 -0.001 0.000 0.251 173 V C 2.503 178.583 176.094 -0.023 0.000 1.065 173 V CA 2.575 64.879 62.300 0.006 0.000 1.049 173 V CB -0.318 31.520 31.823 0.023 0.000 0.651 173 V HN 0.385 nan 8.190 nan 0.000 0.450 174 G N -1.237 107.545 108.800 -0.030 0.000 3.159 174 G HA2 0.165 4.125 3.960 -0.001 0.000 0.232 174 G HA3 0.165 4.125 3.960 -0.001 0.000 0.232 174 G C 0.403 175.240 174.900 -0.106 0.000 1.116 174 G CA -0.270 44.802 45.100 -0.047 0.000 0.767 174 G HN 0.363 nan 8.290 nan 0.000 0.547 175 K N 0.841 121.127 120.400 -0.190 0.000 2.139 175 K HA 0.603 4.923 4.320 -0.001 0.000 0.243 175 K C 0.392 176.869 176.600 -0.204 0.000 0.983 175 K CA -0.603 55.505 56.287 -0.299 0.000 0.890 175 K CB 1.532 33.603 32.500 -0.716 0.000 1.090 175 K HN 0.172 nan 8.250 nan 0.000 0.445 176 S N -0.971 114.624 115.700 -0.176 0.000 2.768 176 S HA 0.610 5.080 4.470 -0.001 0.000 0.300 176 S C 1.114 175.669 174.600 -0.076 0.000 1.122 176 S CA -0.179 57.961 58.200 -0.100 0.000 0.995 176 S CB 1.164 64.322 63.200 -0.072 0.000 1.195 176 S HN 0.494 nan 8.310 nan 0.000 0.547 177 A N 0.730 123.529 122.820 -0.035 0.000 1.828 177 A HA 0.109 4.429 4.320 -0.001 0.000 0.215 177 A C 2.443 180.041 177.584 0.022 0.000 1.203 177 A CA 2.139 54.173 52.037 -0.005 0.000 0.614 177 A CB -2.167 16.835 19.000 0.005 0.000 0.844 177 A HN 1.301 nan 8.150 nan 0.000 0.445 178 E N -0.410 119.806 120.200 0.027 0.000 2.187 178 E HA -0.125 4.225 4.350 -0.001 0.000 0.199 178 E C 2.218 178.876 176.600 0.097 0.000 1.004 178 E CA 2.523 58.961 56.400 0.063 0.000 0.813 178 E CB -1.259 28.471 29.700 0.050 0.000 0.736 178 E HN 1.096 nan 8.360 nan 0.000 0.468 179 A N 0.252 123.092 122.820 0.033 0.000 1.930 179 A HA 0.081 4.401 4.320 -0.001 0.000 0.217 179 A C 2.517 180.181 177.584 0.133 0.000 1.175 179 A CA 1.406 53.459 52.037 0.027 0.000 0.627 179 A CB -0.277 18.641 19.000 -0.137 0.000 0.815 179 A HN 0.495 nan 8.150 nan 0.000 0.443 180 L N -1.041 120.226 121.223 0.073 0.000 2.046 180 L HA -0.248 4.092 4.340 -0.001 0.000 0.208 180 L C 3.387 180.379 176.870 0.204 0.000 1.077 180 L CA 1.675 56.599 54.840 0.141 0.000 0.747 180 L CB -1.234 40.868 42.059 0.071 0.000 0.896 180 L HN 0.625 nan 8.230 nan 0.000 0.432 181 Q N -0.105 119.800 119.800 0.174 0.000 2.061 181 Q HA -0.325 4.015 4.340 -0.001 0.000 0.204 181 Q C 1.776 177.927 176.000 0.251 0.000 0.984 181 Q CA 2.288 58.196 55.803 0.175 0.000 0.846 181 Q CB -1.851 26.969 28.738 0.137 0.000 0.902 181 Q HN 0.700 nan 8.270 nan 0.000 0.421 182 W N 1.250 122.621 121.300 0.118 0.000 2.304 182 W HA -0.267 4.393 4.660 -0.000 0.000 0.315 182 W C 1.878 178.522 176.519 0.208 0.000 1.233 182 W CA 2.215 59.657 57.345 0.162 0.000 1.261 182 W CB -0.116 29.405 29.460 0.102 0.000 1.150 182 W HN 0.512 nan 8.180 nan 0.000 0.494 183 D N -0.038 120.658 120.400 0.494 0.000 2.075 183 D HA -0.230 4.410 4.640 -0.001 0.000 0.196 183 D C 2.684 179.085 176.300 0.169 0.000 0.985 183 D CA 2.858 57.047 54.000 0.315 0.000 0.834 183 D CB -0.944 40.100 40.800 0.407 0.000 0.987 183 D HN 0.155 nan 8.370 nan 0.000 0.452 184 L N 0.751 122.073 121.223 0.165 0.000 2.171 184 L HA -0.245 4.095 4.340 -0.001 0.000 0.216 184 L C 2.672 179.591 176.870 0.081 0.000 1.084 184 L CA 3.314 58.216 54.840 0.105 0.000 0.771 184 L CB -2.069 40.046 42.059 0.093 0.000 0.890 184 L HN 0.413 nan 8.230 nan 0.000 0.437 185 S N -2.304 113.445 115.700 0.082 0.000 2.336 185 S HA -0.135 4.334 4.470 -0.001 0.000 0.216 185 S C 2.063 176.661 174.600 -0.003 0.000 1.032 185 S CA 1.143 59.358 58.200 0.026 0.000 0.973 185 S CB -0.936 62.260 63.200 -0.006 0.000 0.888 185 S HN 0.586 nan 8.310 nan 0.000 0.455 186 F N 3.060 122.876 119.950 -0.224 0.000 2.176 186 F HA -0.088 4.439 4.527 -0.000 0.000 0.301 186 F C 2.781 178.541 175.800 -0.066 0.000 1.071 186 F CA 1.318 59.192 58.000 -0.210 0.000 1.289 186 F CB -0.303 38.473 39.000 -0.373 0.000 1.028 186 F HN 0.153 nan 8.300 nan 0.000 0.494 187 R N 0.192 120.761 120.500 0.115 0.000 2.061 187 R HA -0.109 4.230 4.340 -0.001 0.000 0.230 187 R C 2.375 178.747 176.300 0.120 0.000 1.140 187 R CA 1.340 57.488 56.100 0.079 0.000 0.940 187 R CB -1.316 29.008 30.300 0.039 0.000 0.839 187 R HN 0.331 nan 8.270 nan 0.000 0.429 188 L N 1.028 122.310 121.223 0.097 0.000 2.042 188 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 188 L C 2.622 179.562 176.870 0.118 0.000 1.076 188 L CA 1.500 56.424 54.840 0.139 0.000 0.749 188 L CB -0.527 41.584 42.059 0.087 0.000 0.893 188 L HN 0.199 nan 8.230 nan 0.000 0.432 189 K N -0.509 119.895 120.400 0.008 0.000 1.988 189 K HA -0.306 4.014 4.320 -0.001 0.000 0.221 189 K C 2.124 178.735 176.600 0.018 0.000 1.053 189 K CA 2.218 58.469 56.287 -0.061 0.000 0.959 189 K CB -0.471 31.899 32.500 -0.216 0.000 0.728 189 K HN 0.283 nan 8.250 nan 0.000 0.447 190 H N -0.387 118.668 119.070 -0.026 0.000 2.325 190 H HA -0.248 4.308 4.556 -0.000 0.000 0.293 190 H C 1.925 177.299 175.328 0.078 0.000 1.106 190 H CA 2.485 58.536 56.048 0.006 0.000 1.247 190 H CB -0.198 29.561 29.762 -0.005 0.000 1.359 190 H HN 0.480 nan 8.280 nan 0.000 0.488 191 W N 1.295 122.659 121.300 0.108 0.000 2.335 191 W HA -0.213 4.447 4.660 -0.000 0.000 0.311 191 W C 1.767 178.287 176.519 0.002 0.000 1.213 191 W CA 1.276 58.654 57.345 0.054 0.000 1.274 191 W CB 0.029 29.506 29.460 0.027 0.000 1.148 191 W HN 0.329 nan 8.180 nan 0.000 0.498 192 E N 0.630 120.759 120.200 -0.117 0.000 2.058 192 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 192 E C 2.306 178.753 176.600 -0.254 0.000 0.997 192 E CA 1.737 57.983 56.400 -0.257 0.000 0.801 192 E CB -1.099 28.527 29.700 -0.125 0.000 0.746 192 E HN 0.365 nan 8.360 nan 0.000 0.450 193 A N 1.584 124.293 122.820 -0.186 0.000 1.908 193 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 193 A C 2.701 180.167 177.584 -0.196 0.000 1.181 193 A CA 2.569 54.493 52.037 -0.189 0.000 0.627 193 A CB -1.192 17.676 19.000 -0.221 0.000 0.818 193 A HN 0.258 nan 8.150 nan 0.000 0.445 194 I N 1.420 121.866 120.570 -0.207 0.000 2.076 194 I HA -0.239 3.930 4.170 -0.001 0.000 0.237 194 I C 2.388 178.359 176.117 -0.245 0.000 1.059 194 I CA 2.660 63.869 61.300 -0.152 0.000 1.317 194 I CB -1.664 36.349 38.000 0.021 0.000 1.037 194 I HN 0.675 nan 8.210 nan 0.000 0.398 195 K N 1.057 121.143 120.400 -0.524 0.000 2.442 195 K HA -0.042 4.277 4.320 -0.001 0.000 0.198 195 K C 2.001 178.447 176.600 -0.256 0.000 1.042 195 K CA 1.631 57.630 56.287 -0.481 0.000 0.958 195 K CB -0.509 31.525 32.500 -0.777 0.000 0.766 195 K HN 0.620 nan 8.250 nan 0.000 0.474 196 K N 1.301 121.574 120.400 -0.212 0.000 2.168 196 K HA 0.295 4.615 4.320 -0.001 0.000 0.201 196 K C 2.094 178.655 176.600 -0.064 0.000 1.049 196 K CA 0.625 56.834 56.287 -0.129 0.000 0.974 196 K CB -0.554 31.867 32.500 -0.133 0.000 0.792 196 K HN 0.300 nan 8.250 nan 0.000 0.463 197 A N 0.525 123.318 122.820 -0.046 0.000 2.248 197 A HA 0.454 4.774 4.320 -0.001 0.000 0.210 197 A C 2.247 179.926 177.584 0.158 0.000 1.174 197 A CA 1.541 53.593 52.037 0.024 0.000 0.750 197 A CB -0.531 18.490 19.000 0.034 0.000 0.780 197 A HN 0.779 nan 8.150 nan 0.000 0.478 198 A N -1.246 121.648 122.820 0.125 0.000 1.984 198 A HA 0.419 4.739 4.320 -0.001 0.000 0.203 198 A C 1.914 179.587 177.584 0.148 0.000 1.292 198 A CA 1.206 53.386 52.037 0.238 0.000 0.782 198 A CB -0.488 18.558 19.000 0.076 0.000 0.924 198 A HN 0.599 nan 8.150 nan 0.000 0.475 199 E N -0.146 120.074 120.200 0.034 0.000 2.331 199 E HA 0.067 4.417 4.350 -0.001 0.000 0.199 199 E C 1.235 177.843 176.600 0.013 0.000 1.008 199 E CA 1.594 57.998 56.400 0.008 0.000 0.843 199 E CB -1.069 28.610 29.700 -0.034 0.000 0.761 199 E HN 1.042 nan 8.360 nan 0.000 0.507 200 S N -0.502 115.205 115.700 0.011 0.000 2.383 200 S HA 0.637 5.106 4.470 -0.001 0.000 0.227 200 S C 0.264 174.825 174.600 -0.066 0.000 1.261 200 S CA -0.011 58.172 58.200 -0.028 0.000 1.262 200 S CB 0.095 63.266 63.200 -0.048 0.000 0.992 200 S HN 0.322 nan 8.310 nan 0.000 0.491 201 R N -0.231 120.254 120.500 -0.026 0.000 2.789 201 R HA 0.536 4.876 4.340 -0.001 0.000 0.279 201 R C -3.198 173.134 176.300 0.052 0.000 1.010 201 R CA -0.690 55.354 56.100 -0.093 0.000 0.855 201 R CB 0.303 30.334 30.300 -0.450 0.000 1.312 201 R HN 0.256 nan 8.270 nan 0.000 0.479 202 P HA 0.452 nan 4.420 nan 0.000 0.285 202 P C -1.310 176.222 177.300 0.388 0.000 1.285 202 P CA -0.576 62.622 63.100 0.163 0.000 0.854 202 P CB 1.688 33.439 31.700 0.085 0.000 1.180 203 A N 0.514 123.513 122.820 0.299 0.000 2.503 203 A HA 0.324 4.644 4.320 -0.001 0.000 0.263 203 A C -2.192 175.461 177.584 0.116 0.000 1.258 203 A CA -0.381 51.796 52.037 0.233 0.000 0.936 203 A CB -0.211 18.855 19.000 0.110 0.000 1.070 203 A HN 0.381 nan 8.150 nan 0.000 0.522 204 P HA 0.549 nan 4.420 nan 0.000 0.228 204 P C -1.288 176.212 177.300 0.334 0.000 1.714 204 P CA -0.201 62.998 63.100 0.165 0.000 1.253 204 P CB -0.027 31.751 31.700 0.130 0.000 1.486 205 F N 0.980 121.032 119.950 0.169 0.000 2.693 205 F HA 0.567 5.094 4.527 -0.000 0.000 0.309 205 F C -1.473 174.512 175.800 0.308 0.000 1.129 205 F CA -1.856 56.257 58.000 0.187 0.000 0.948 205 F CB 0.680 39.743 39.000 0.105 0.000 1.315 205 F HN -0.026 nan 8.300 nan 0.000 0.447 206 L N 2.803 124.280 121.223 0.423 0.000 2.416 206 L HA 0.429 4.769 4.340 -0.001 0.000 0.272 206 L C -0.390 176.547 176.870 0.111 0.000 1.161 206 L CA 0.265 55.176 54.840 0.119 0.000 0.845 206 L CB 0.493 42.601 42.059 0.080 0.000 1.119 206 L HN 0.854 nan 8.230 nan 0.000 0.464 207 I N 2.242 122.764 120.570 -0.079 0.000 3.443 207 I HA 0.151 4.320 4.170 -0.001 0.000 0.277 207 I C -0.346 175.826 176.117 0.091 0.000 1.169 207 I CA -0.103 61.239 61.300 0.071 0.000 1.419 207 I CB 0.221 38.247 38.000 0.043 0.000 1.331 207 I HN 0.723 nan 8.210 nan 0.000 0.458 208 H N 0.960 119.979 119.070 -0.085 0.000 2.840 208 H HA 0.411 4.966 4.556 -0.001 0.000 0.340 208 H C -0.741 174.549 175.328 -0.063 0.000 1.004 208 H CA -0.717 55.330 56.048 -0.002 0.000 1.288 208 H CB 1.166 31.018 29.762 0.149 0.000 1.607 208 H HN -0.083 nan 8.280 nan 0.000 0.522 209 Q N 3.446 122.930 119.800 -0.528 0.000 2.296 209 Q HA 0.214 4.554 4.340 -0.001 0.000 0.257 209 Q C -0.390 175.230 176.000 -0.634 0.000 0.942 209 Q CA -0.657 54.888 55.803 -0.429 0.000 0.939 209 Q CB 0.976 29.593 28.738 -0.203 0.000 1.198 209 Q HN 0.722 nan 8.270 nan 0.000 0.429 210 E N 2.327 122.299 120.200 -0.380 0.000 2.418 210 E HA 0.134 4.484 4.350 -0.001 0.000 0.261 210 E C -0.747 175.776 176.600 -0.129 0.000 1.070 210 E CA 0.197 56.475 56.400 -0.203 0.000 0.931 210 E CB 0.651 30.321 29.700 -0.051 0.000 0.954 210 E HN 0.650 nan 8.360 nan 0.000 0.439 211 S N 2.158 117.823 115.700 -0.058 0.000 2.600 211 S HA 0.140 4.609 4.470 -0.001 0.000 0.265 211 S C 0.101 174.656 174.600 -0.076 0.000 1.325 211 S CA -0.351 57.811 58.200 -0.063 0.000 1.002 211 S CB 0.140 63.307 63.200 -0.054 0.000 0.921 211 S HN 0.724 nan 8.310 nan 0.000 0.554 212 N N -0.180 118.461 118.700 -0.097 0.000 2.294 212 N HA 0.049 4.789 4.740 -0.001 0.000 0.248 212 N C 0.872 176.309 175.510 -0.122 0.000 1.300 212 N CA -0.468 52.526 53.050 -0.093 0.000 0.925 212 N CB -0.282 38.156 38.487 -0.081 0.000 1.188 212 N HN 0.222 nan 8.380 nan 0.000 0.512 213 V N -0.056 119.791 119.914 -0.112 0.000 2.594 213 V HA -0.102 4.017 4.120 -0.001 0.000 0.253 213 V C 1.817 177.787 176.094 -0.207 0.000 1.069 213 V CA 1.430 63.654 62.300 -0.127 0.000 1.082 213 V CB -0.824 30.936 31.823 -0.104 0.000 0.680 213 V HN 0.659 nan 8.190 nan 0.000 0.469 214 I N -1.310 119.101 120.570 -0.266 0.000 2.235 214 I HA -0.127 4.043 4.170 -0.001 0.000 0.241 214 I C 2.378 178.135 176.117 -0.599 0.000 1.085 214 I CA 1.217 62.234 61.300 -0.473 0.000 1.378 214 I CB -0.272 37.471 38.000 -0.427 0.000 1.076 214 I HN 0.129 nan 8.210 nan 0.000 0.415 215 V N 1.135 120.767 119.914 -0.469 0.000 2.250 215 V HA -0.360 3.760 4.120 -0.001 0.000 0.250 215 V C 2.593 178.590 176.094 -0.162 0.000 1.060 215 V CA 2.026 64.119 62.300 -0.345 0.000 1.030 215 V CB -0.828 30.785 31.823 -0.348 0.000 0.643 215 V HN 0.379 nan 8.190 nan 0.000 0.445 216 R N -0.247 120.176 120.500 -0.128 0.000 2.096 216 R HA -0.228 4.112 4.340 -0.001 0.000 0.240 216 R C 2.439 178.767 176.300 0.047 0.000 1.139 216 R CA 1.681 57.766 56.100 -0.026 0.000 0.952 216 R CB -0.768 29.525 30.300 -0.011 0.000 0.854 216 R HN 0.576 nan 8.270 nan 0.000 0.436 217 A N 1.040 123.833 122.820 -0.045 0.000 1.873 217 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 217 A C 2.101 179.810 177.584 0.209 0.000 1.193 217 A CA 1.437 53.498 52.037 0.040 0.000 0.629 217 A CB -0.992 17.900 19.000 -0.180 0.000 0.826 217 A HN 0.317 nan 8.150 nan 0.000 0.447 218 F N -0.892 119.040 119.950 -0.030 0.000 2.126 218 F HA -0.201 4.325 4.527 -0.001 0.000 0.299 218 F C 2.711 178.431 175.800 -0.134 0.000 1.096 218 F CA 1.320 59.256 58.000 -0.108 0.000 1.255 218 F CB -0.129 38.811 39.000 -0.099 0.000 0.997 218 F HN 0.219 nan 8.300 nan 0.000 0.479 219 R N 0.424 120.988 120.500 0.107 0.000 2.115 219 R HA -0.133 4.206 4.340 -0.001 0.000 0.226 219 R C 0.669 176.942 176.300 -0.044 0.000 1.100 219 R CA 1.845 57.940 56.100 -0.008 0.000 0.980 219 R CB -0.047 30.245 30.300 -0.013 0.000 0.875 219 R HN 0.192 nan 8.270 nan 0.000 0.445 220 D N -2.228 118.177 120.400 0.008 0.000 2.479 220 D HA 0.049 4.689 4.640 -0.001 0.000 0.221 220 D C 0.131 176.246 176.300 -0.310 0.000 1.104 220 D CA 0.437 54.358 54.000 -0.133 0.000 0.849 220 D CB 0.494 41.218 40.800 -0.126 0.000 1.072 220 D HN 0.187 nan 8.370 nan 0.000 0.502 221 Y N -0.022 120.273 120.300 -0.008 0.000 2.500 221 Y HA 0.374 4.923 4.550 -0.001 0.000 0.246 221 Y C 0.376 176.287 175.900 0.018 0.000 1.146 221 Y CA -0.196 57.912 58.100 0.014 0.000 1.230 221 Y CB 0.877 39.344 38.460 0.011 0.000 1.214 221 Y HN -0.208 nan 8.280 nan 0.000 0.526 222 L N 2.822 124.070 121.223 0.042 0.000 2.358 222 L HA 0.245 4.585 4.340 -0.001 0.000 0.274 222 L C 0.105 177.016 176.870 0.069 0.000 1.136 222 L CA -0.332 54.469 54.840 -0.065 0.000 0.970 222 L CB -0.131 41.574 42.059 -0.590 0.000 1.314 222 L HN 0.046 nan 8.230 nan 0.000 0.427 223 R N 0.828 121.433 120.500 0.176 0.000 2.652 223 R HA 0.109 4.449 4.340 -0.001 0.000 0.272 223 R C 0.981 177.474 176.300 0.322 0.000 1.162 223 R CA -0.622 55.600 56.100 0.204 0.000 1.199 223 R CB 0.454 30.842 30.300 0.147 0.000 1.166 223 R HN 0.395 nan 8.270 nan 0.000 0.597 224 Q N 1.076 121.006 119.800 0.215 0.000 2.167 224 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 224 Q C 0.855 176.910 176.000 0.091 0.000 0.970 224 Q CA 1.565 57.450 55.803 0.137 0.000 0.855 224 Q CB -0.300 28.473 28.738 0.059 0.000 0.911 224 Q HN 0.604 nan 8.270 nan 0.000 0.438 225 D N -0.781 119.682 120.400 0.106 0.000 2.338 225 D HA -0.055 4.585 4.640 -0.001 0.000 0.239 225 D C 0.119 176.493 176.300 0.124 0.000 1.095 225 D CA -0.008 54.043 54.000 0.085 0.000 0.888 225 D CB -0.456 40.386 40.800 0.070 0.000 0.899 225 D HN 0.179 nan 8.370 nan 0.000 0.525 226 I N 0.946 121.624 120.570 0.181 0.000 2.291 226 I HA 0.232 4.401 4.170 -0.001 0.000 0.292 226 I C 1.696 177.907 176.117 0.157 0.000 1.064 226 I CA -0.532 60.893 61.300 0.208 0.000 1.269 226 I CB 1.585 39.759 38.000 0.290 0.000 1.418 226 I HN 0.017 nan 8.210 nan 0.000 0.485 227 G N 5.779 114.644 108.800 0.108 0.000 2.402 227 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.216 227 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.216 227 G C 0.438 175.381 174.900 0.071 0.000 1.162 227 G CA 0.432 45.572 45.100 0.067 0.000 0.777 227 G HN 0.606 nan 8.290 nan 0.000 0.539 228 E N -1.157 119.099 120.200 0.093 0.000 2.366 228 E HA 0.496 4.846 4.350 -0.001 0.000 0.278 228 E C -1.465 175.197 176.600 0.103 0.000 0.923 228 E CA -0.642 55.814 56.400 0.092 0.000 0.761 228 E CB 2.497 32.247 29.700 0.084 0.000 1.231 228 E HN 0.012 nan 8.360 nan 0.000 0.443 229 I N 3.227 123.868 120.570 0.118 0.000 2.390 229 I HA 0.279 4.449 4.170 -0.001 0.000 0.283 229 I C -0.623 175.569 176.117 0.126 0.000 1.016 229 I CA -0.521 60.858 61.300 0.131 0.000 1.151 229 I CB 0.657 38.756 38.000 0.166 0.000 1.293 229 I HN 0.267 nan 8.210 nan 0.000 0.458 230 L N 7.158 128.438 121.223 0.096 0.000 2.312 230 L HA 0.581 4.921 4.340 -0.001 0.000 0.281 230 L C -0.331 176.624 176.870 0.141 0.000 1.070 230 L CA -0.465 54.451 54.840 0.128 0.000 0.805 230 L CB 1.398 43.516 42.059 0.099 0.000 1.174 230 L HN 0.476 nan 8.230 nan 0.000 0.434 231 I N 2.209 122.881 120.570 0.170 0.000 2.533 231 I HA 0.173 4.343 4.170 -0.001 0.000 0.290 231 I C -0.366 175.856 176.117 0.174 0.000 1.056 231 I CA -0.535 60.855 61.300 0.149 0.000 1.057 231 I CB 2.278 40.362 38.000 0.139 0.000 1.240 231 I HN 0.599 nan 8.210 nan 0.000 0.423 232 D N 2.959 123.445 120.400 0.143 0.000 2.358 232 D HA 0.052 4.691 4.640 -0.001 0.000 0.224 232 D C -0.083 176.283 176.300 0.110 0.000 1.123 232 D CA 0.042 54.154 54.000 0.186 0.000 0.833 232 D CB 0.025 40.928 40.800 0.173 0.000 0.946 232 D HN 0.409 nan 8.370 nan 0.000 0.505 233 N N 0.269 119.017 118.700 0.080 0.000 2.549 233 N HA 0.243 4.983 4.740 -0.001 0.000 0.290 233 N C -2.411 173.128 175.510 0.048 0.000 1.122 233 N CA -1.732 51.348 53.050 0.051 0.000 0.885 233 N CB 2.306 40.810 38.487 0.028 0.000 1.455 233 N HN -0.335 nan 8.380 nan 0.000 0.521 234 P HA -0.200 nan 4.420 nan 0.000 0.215 234 P C 1.376 178.693 177.300 0.029 0.000 1.163 234 P CA 2.870 65.991 63.100 0.034 0.000 0.894 234 P CB 0.229 31.943 31.700 0.023 0.000 0.791 235 K N -0.211 120.202 120.400 0.021 0.000 2.009 235 K HA -0.166 4.153 4.320 -0.001 0.000 0.210 235 K C 2.272 178.883 176.600 0.018 0.000 1.049 235 K CA 2.355 58.651 56.287 0.016 0.000 0.929 235 K CB -1.865 30.642 32.500 0.012 0.000 0.714 235 K HN -0.019 nan 8.250 nan 0.000 0.440 236 V N 1.197 121.127 119.914 0.025 0.000 2.287 236 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 236 V C 2.487 178.610 176.094 0.049 0.000 1.053 236 V CA 2.020 64.340 62.300 0.034 0.000 1.027 236 V CB -0.500 31.344 31.823 0.035 0.000 0.646 236 V HN 0.600 nan 8.190 nan 0.000 0.447 237 L N -0.214 121.046 121.223 0.062 0.000 2.010 237 L HA -0.276 4.063 4.340 -0.001 0.000 0.219 237 L C 2.803 179.708 176.870 0.058 0.000 1.077 237 L CA 2.004 56.893 54.840 0.081 0.000 0.773 237 L CB -0.414 41.691 42.059 0.077 0.000 0.892 237 L HN 0.344 nan 8.230 nan 0.000 0.436 238 E N 0.025 120.243 120.200 0.030 0.000 2.058 238 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 238 E C 2.282 178.864 176.600 -0.031 0.000 0.997 238 E CA 1.526 57.930 56.400 0.007 0.000 0.801 238 E CB -0.503 29.198 29.700 0.003 0.000 0.746 238 E HN 0.558 nan 8.360 nan 0.000 0.450 239 L N 0.369 121.557 121.223 -0.058 0.000 2.012 239 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 239 L C 2.506 179.202 176.870 -0.289 0.000 1.073 239 L CA 1.405 56.125 54.840 -0.201 0.000 0.748 239 L CB -0.501 41.471 42.059 -0.145 0.000 0.891 239 L HN 0.094 nan 8.230 nan 0.000 0.431 240 A N 0.006 122.828 122.820 0.004 0.000 1.892 240 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 240 A C 2.321 180.025 177.584 0.200 0.000 1.188 240 A CA 1.835 54.039 52.037 0.279 0.000 0.631 240 A CB -0.575 18.658 19.000 0.388 0.000 0.822 240 A HN 0.373 nan 8.150 nan 0.000 0.447 241 R N -0.608 119.940 120.500 0.080 0.000 2.096 241 R HA -0.231 4.109 4.340 -0.001 0.000 0.240 241 R C 2.381 178.702 176.300 0.035 0.000 1.139 241 R CA 1.934 58.061 56.100 0.045 0.000 0.952 241 R CB -0.572 29.744 30.300 0.027 0.000 0.854 241 R HN 0.733 nan 8.270 nan 0.000 0.436 242 Q N -0.438 119.353 119.800 -0.015 0.000 2.124 242 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 242 Q C 1.909 177.957 176.000 0.080 0.000 0.977 242 Q CA 1.520 57.318 55.803 -0.007 0.000 0.850 242 Q CB -0.214 28.482 28.738 -0.071 0.000 0.901 242 Q HN 0.633 nan 8.270 nan 0.000 0.429 243 H N -0.083 119.074 119.070 0.145 0.000 2.353 243 H HA -0.095 4.460 4.556 -0.001 0.000 0.300 243 H C 1.984 177.405 175.328 0.156 0.000 1.090 243 H CA 1.075 57.235 56.048 0.186 0.000 1.327 243 H CB 0.095 30.026 29.762 0.283 0.000 1.383 243 H HN 0.169 nan 8.280 nan 0.000 0.508 244 I N 0.578 121.271 120.570 0.205 0.000 2.113 244 I HA -0.292 3.878 4.170 -0.001 0.000 0.238 244 I C 2.812 178.942 176.117 0.021 0.000 1.070 244 I CA 0.889 62.190 61.300 0.002 0.000 1.332 244 I CB -0.409 37.513 38.000 -0.131 0.000 1.044 244 I HN 0.310 nan 8.210 nan 0.000 0.402 245 A N 0.965 123.806 122.820 0.035 0.000 1.859 245 A HA -0.312 4.008 4.320 -0.001 0.000 0.218 245 A C 2.536 180.156 177.584 0.061 0.000 1.209 245 A CA 2.557 54.609 52.037 0.025 0.000 0.639 245 A CB -1.285 17.738 19.000 0.038 0.000 0.835 245 A HN 0.481 nan 8.150 nan 0.000 0.450 246 A N -1.502 121.390 122.820 0.121 0.000 1.997 246 A HA -0.109 4.211 4.320 -0.001 0.000 0.221 246 A C 1.925 179.614 177.584 0.176 0.000 1.172 246 A CA 1.932 54.071 52.037 0.170 0.000 0.645 246 A CB -0.475 18.642 19.000 0.195 0.000 0.813 246 A HN 0.551 nan 8.150 nan 0.000 0.454 247 L N -0.945 120.353 121.223 0.125 0.000 2.599 247 L HA 0.270 4.610 4.340 -0.001 0.000 0.230 247 L C 1.369 178.252 176.870 0.023 0.000 1.141 247 L CA 0.982 55.872 54.840 0.084 0.000 0.877 247 L CB -0.812 41.278 42.059 0.052 0.000 1.009 247 L HN 0.696 nan 8.230 nan 0.000 0.447 248 G N 1.077 109.843 108.800 -0.057 0.000 2.353 248 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.294 248 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.294 248 G C 0.382 175.181 174.900 -0.169 0.000 1.077 248 G CA -0.017 44.860 45.100 -0.371 0.000 1.098 248 G HN 0.306 nan 8.290 nan 0.000 0.511 249 R N -0.360 120.088 120.500 -0.087 0.000 2.647 249 R HA 0.144 4.483 4.340 -0.001 0.000 0.295 249 R C -1.760 174.583 176.300 0.072 0.000 1.267 249 R CA -0.776 55.349 56.100 0.042 0.000 1.386 249 R CB 1.282 31.580 30.300 -0.003 0.000 1.309 249 R HN 0.280 nan 8.270 nan 0.000 0.692 250 P HA -0.217 nan 4.420 nan 0.000 0.217 250 P C 0.745 178.052 177.300 0.011 0.000 1.151 250 P CA 1.532 64.625 63.100 -0.011 0.000 0.849 250 P CB 0.103 31.771 31.700 -0.055 0.000 0.787 251 D N -1.291 119.119 120.400 0.017 0.000 2.389 251 D HA -0.171 4.469 4.640 -0.001 0.000 0.221 251 D C 1.295 177.469 176.300 -0.209 0.000 0.974 251 D CA 0.800 54.749 54.000 -0.085 0.000 0.923 251 D CB -1.190 39.542 40.800 -0.112 0.000 0.892 251 D HN 0.237 nan 8.370 nan 0.000 0.518 252 F N 0.226 120.130 119.950 -0.076 0.000 2.717 252 F HA 0.194 4.720 4.527 -0.001 0.000 0.295 252 F C 2.492 178.233 175.800 -0.097 0.000 1.117 252 F CA -0.157 57.784 58.000 -0.098 0.000 1.361 252 F CB 0.191 39.093 39.000 -0.163 0.000 1.112 252 F HN -0.180 nan 8.300 nan 0.000 0.594 253 S N 0.305 116.043 115.700 0.063 0.000 2.368 253 S HA -0.285 4.184 4.470 -0.001 0.000 0.226 253 S C 2.341 176.950 174.600 0.015 0.000 1.044 253 S CA 2.125 60.339 58.200 0.023 0.000 1.062 253 S CB -0.716 62.489 63.200 0.008 0.000 0.931 253 S HN 0.530 nan 8.310 nan 0.000 0.440 254 S N 1.214 116.910 115.700 -0.007 0.000 2.419 254 S HA -0.058 4.412 4.470 -0.001 0.000 0.235 254 S C 1.530 176.133 174.600 0.005 0.000 1.019 254 S CA 1.052 59.246 58.200 -0.009 0.000 0.982 254 S CB -0.321 62.859 63.200 -0.032 0.000 0.789 254 S HN 0.445 nan 8.310 nan 0.000 0.490 255 K N 0.375 120.780 120.400 0.008 0.000 2.366 255 K HA 0.286 4.606 4.320 -0.001 0.000 0.198 255 K C 0.195 176.841 176.600 0.076 0.000 1.044 255 K CA 0.227 56.537 56.287 0.038 0.000 0.973 255 K CB -0.078 32.448 32.500 0.043 0.000 0.767 255 K HN 0.448 nan 8.250 nan 0.000 0.475 256 I N 2.416 123.028 120.570 0.070 0.000 2.416 256 I HA 0.038 4.208 4.170 -0.001 0.000 0.288 256 I C -0.383 175.785 176.117 0.085 0.000 1.051 256 I CA 0.112 61.462 61.300 0.084 0.000 1.375 256 I CB 0.780 38.822 38.000 0.070 0.000 1.407 256 I HN -0.041 nan 8.210 nan 0.000 0.516 257 K N 6.580 127.044 120.400 0.106 0.000 2.507 257 K HA 0.380 4.700 4.320 -0.001 0.000 0.251 257 K C -1.090 175.589 176.600 0.131 0.000 0.943 257 K CA -1.027 55.324 56.287 0.106 0.000 0.794 257 K CB 2.740 35.307 32.500 0.112 0.000 1.188 257 K HN 0.304 nan 8.250 nan 0.000 0.428 258 L N 3.263 124.551 121.223 0.109 0.000 2.499 258 L HA 0.065 4.404 4.340 -0.001 0.000 0.273 258 L C -0.748 176.214 176.870 0.154 0.000 1.195 258 L CA 0.291 55.201 54.840 0.117 0.000 0.882 258 L CB -0.087 42.013 42.059 0.067 0.000 1.133 258 L HN 0.542 nan 8.230 nan 0.000 0.483 259 Y N 3.429 123.773 120.300 0.073 0.000 2.308 259 Y HA 0.429 4.979 4.550 -0.001 0.000 0.329 259 Y C 0.915 176.843 175.900 0.047 0.000 1.111 259 Y CA 0.253 58.401 58.100 0.081 0.000 1.179 259 Y CB 1.356 39.888 38.460 0.119 0.000 1.201 259 Y HN 0.790 nan 8.280 nan 0.000 0.483 260 T N 0.908 114.999 114.554 -0.773 0.000 3.087 260 T HA 0.323 4.673 4.350 -0.001 0.000 0.283 260 T C 0.791 175.131 174.700 -0.600 0.000 0.956 260 T CA 0.122 61.920 62.100 -0.504 0.000 0.894 260 T CB -0.562 68.166 68.868 -0.234 0.000 1.160 260 T HN 0.868 nan 8.240 nan 0.000 0.532 261 G N 0.728 108.866 108.800 -1.104 0.000 2.670 261 G HA2 0.353 4.313 3.960 -0.001 0.000 0.233 261 G HA3 0.353 4.313 3.960 -0.001 0.000 0.233 261 G C 0.918 175.709 174.900 -0.182 0.000 1.251 261 G CA 0.233 45.016 45.100 -0.528 0.000 0.849 261 G HN 0.512 nan 8.290 nan 0.000 0.588 262 E N 0.817 120.969 120.200 -0.080 0.000 2.122 262 E HA 0.094 4.444 4.350 -0.001 0.000 0.190 262 E C 1.463 178.096 176.600 0.056 0.000 0.977 262 E CA 0.419 56.814 56.400 -0.009 0.000 0.820 262 E CB -0.254 29.435 29.700 -0.018 0.000 0.770 262 E HN 0.602 nan 8.360 nan 0.000 0.462 263 I N 2.942 123.552 120.570 0.067 0.000 2.664 263 I HA 0.078 4.248 4.170 -0.001 0.000 0.284 263 I C -2.102 174.147 176.117 0.220 0.000 1.154 263 I CA -1.683 59.688 61.300 0.118 0.000 1.402 263 I CB 0.976 39.042 38.000 0.110 0.000 1.395 263 I HN 0.155 nan 8.210 nan 0.000 0.545 264 P HA -0.066 nan 4.420 nan 0.000 0.266 264 P C 1.093 178.464 177.300 0.118 0.000 1.195 264 P CA -0.043 63.150 63.100 0.155 0.000 0.768 264 P CB 0.912 32.653 31.700 0.069 0.000 0.838 265 L N 2.245 123.424 121.223 -0.074 0.000 1.997 265 L HA -0.281 4.059 4.340 -0.001 0.000 0.227 265 L C 2.130 179.144 176.870 0.240 0.000 1.087 265 L CA 2.236 56.913 54.840 -0.272 0.000 0.797 265 L CB -0.688 41.255 42.059 -0.193 0.000 0.902 265 L HN 0.246 nan 8.230 nan 0.000 0.441 266 F N -0.129 119.805 119.950 -0.027 0.000 2.269 266 F HA -0.173 4.353 4.527 -0.001 0.000 0.301 266 F C 2.852 178.685 175.800 0.055 0.000 1.082 266 F CA 1.193 59.205 58.000 0.020 0.000 1.360 266 F CB -1.091 37.907 39.000 -0.004 0.000 1.041 266 F HN 0.100 nan 8.300 nan 0.000 0.512 267 S N -1.914 113.936 115.700 0.249 0.000 2.395 267 S HA -0.160 4.310 4.470 -0.001 0.000 0.225 267 S C 2.055 176.746 174.600 0.151 0.000 1.027 267 S CA 0.579 58.877 58.200 0.164 0.000 0.965 267 S CB -0.531 62.746 63.200 0.129 0.000 0.812 267 S HN 0.495 nan 8.310 nan 0.000 0.482 268 H N -0.627 118.476 119.070 0.055 0.000 2.387 268 H HA -0.102 4.454 4.556 -0.001 0.000 0.299 268 H C 0.897 176.111 175.328 -0.191 0.000 1.090 268 H CA 1.458 57.478 56.048 -0.047 0.000 1.332 268 H CB -0.026 29.716 29.762 -0.033 0.000 1.386 268 H HN 0.439 nan 8.280 nan 0.000 0.516 269 Y N 1.003 121.253 120.300 -0.083 0.000 2.461 269 Y HA 0.042 4.592 4.550 -0.001 0.000 0.277 269 Y C 0.582 176.409 175.900 -0.121 0.000 1.182 269 Y CA 0.033 58.035 58.100 -0.163 0.000 1.276 269 Y CB 0.371 38.744 38.460 -0.145 0.000 1.087 269 Y HN 0.207 nan 8.280 nan 0.000 0.519 270 Q N 0.010 119.824 119.800 0.023 0.000 2.468 270 Q HA -0.230 4.109 4.340 -0.001 0.000 0.289 270 Q C 0.720 176.724 176.000 0.007 0.000 1.299 270 Q CA 1.350 57.158 55.803 0.008 0.000 0.838 270 Q CB -2.443 26.278 28.738 -0.029 0.000 1.195 270 Q HN 0.831 nan 8.270 nan 0.000 0.456 271 I N -4.547 116.023 120.570 0.001 0.000 4.018 271 I HA 0.148 4.318 4.170 -0.001 0.000 0.337 271 I C 1.671 177.790 176.117 0.003 0.000 1.327 271 I CA 0.115 61.384 61.300 -0.051 0.000 1.100 271 I CB 0.198 38.077 38.000 -0.202 0.000 1.025 271 I HN -0.092 nan 8.210 nan 0.000 0.396 272 E N 2.375 122.616 120.200 0.068 0.000 2.110 272 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 272 E C 2.330 178.974 176.600 0.072 0.000 0.988 272 E CA 2.082 58.546 56.400 0.106 0.000 0.804 272 E CB -0.024 29.747 29.700 0.119 0.000 0.745 272 E HN 0.691 nan 8.360 nan 0.000 0.458 273 S N -0.444 115.285 115.700 0.049 0.000 2.387 273 S HA -0.178 4.291 4.470 -0.001 0.000 0.226 273 S C 1.933 176.561 174.600 0.047 0.000 1.026 273 S CA 0.898 59.124 58.200 0.043 0.000 0.972 273 S CB -0.323 62.894 63.200 0.030 0.000 0.814 273 S HN 0.304 nan 8.310 nan 0.000 0.477 274 Q N 0.818 120.637 119.800 0.031 0.000 2.084 274 Q HA 0.053 4.393 4.340 -0.001 0.000 0.202 274 Q C 2.235 178.262 176.000 0.045 0.000 0.978 274 Q CA 1.598 57.414 55.803 0.023 0.000 0.844 274 Q CB -0.493 28.242 28.738 -0.006 0.000 0.898 274 Q HN 0.589 nan 8.270 nan 0.000 0.426 275 I N 0.984 121.591 120.570 0.063 0.000 2.163 275 I HA -0.267 3.903 4.170 -0.001 0.000 0.243 275 I C 2.259 178.518 176.117 0.236 0.000 1.085 275 I CA 1.014 62.390 61.300 0.127 0.000 1.347 275 I CB -0.232 37.867 38.000 0.165 0.000 1.044 275 I HN 0.189 nan 8.210 nan 0.000 0.408 276 E N 0.629 120.944 120.200 0.192 0.000 2.160 276 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 276 E C 2.332 179.082 176.600 0.250 0.000 0.991 276 E CA 1.651 58.190 56.400 0.231 0.000 0.810 276 E CB -0.315 29.438 29.700 0.088 0.000 0.742 276 E HN 0.567 nan 8.360 nan 0.000 0.466 277 S N 0.878 116.661 115.700 0.139 0.000 2.400 277 S HA -0.139 4.331 4.470 -0.001 0.000 0.232 277 S C 2.210 176.857 174.600 0.078 0.000 1.025 277 S CA 1.218 59.472 58.200 0.089 0.000 0.993 277 S CB -0.217 63.008 63.200 0.042 0.000 0.808 277 S HN 0.251 nan 8.310 nan 0.000 0.478 278 A N 0.683 123.544 122.820 0.068 0.000 1.978 278 A HA 0.097 4.417 4.320 -0.001 0.000 0.220 278 A C 1.691 179.186 177.584 -0.149 0.000 1.170 278 A CA 1.296 53.279 52.037 -0.090 0.000 0.636 278 A CB -0.933 17.940 19.000 -0.212 0.000 0.810 278 A HN 0.632 nan 8.150 nan 0.000 0.448 279 F N -0.123 119.844 119.950 0.030 0.000 2.765 279 F HA 0.166 4.693 4.527 -0.001 0.000 0.302 279 F C 1.168 176.989 175.800 0.036 0.000 1.111 279 F CA 0.180 58.220 58.000 0.066 0.000 1.359 279 F CB 0.002 39.066 39.000 0.106 0.000 1.097 279 F HN 0.233 nan 8.300 nan 0.000 0.577 280 Q N -0.189 119.703 119.800 0.153 0.000 2.205 280 Q HA 0.297 4.636 4.340 -0.001 0.000 0.249 280 Q C 1.369 177.382 176.000 0.021 0.000 0.948 280 Q CA -0.559 55.294 55.803 0.085 0.000 0.895 280 Q CB 1.669 30.447 28.738 0.066 0.000 1.249 280 Q HN 0.111 nan 8.270 nan 0.000 0.458 281 R N 0.935 121.441 120.500 0.009 0.000 2.093 281 R HA -0.016 4.323 4.340 -0.001 0.000 0.224 281 R C 0.033 176.321 176.300 -0.019 0.000 1.101 281 R CA 0.933 57.022 56.100 -0.018 0.000 0.979 281 R CB 0.425 30.715 30.300 -0.016 0.000 0.877 281 R HN 0.656 nan 8.270 nan 0.000 0.441 282 E N 0.221 120.417 120.200 -0.006 0.000 2.191 282 E HA 0.317 4.667 4.350 -0.001 0.000 0.274 282 E C -1.623 174.976 176.600 -0.002 0.000 0.948 282 E CA -0.787 55.608 56.400 -0.008 0.000 0.802 282 E CB 1.934 31.632 29.700 -0.004 0.000 1.137 282 E HN -0.015 nan 8.360 nan 0.000 0.397 283 V N 5.201 125.110 119.914 -0.007 0.000 2.443 283 V HA 0.358 4.478 4.120 -0.001 0.000 0.293 283 V C 0.040 176.132 176.094 -0.003 0.000 1.021 283 V CA -0.936 61.362 62.300 -0.002 0.000 0.848 283 V CB 1.462 33.280 31.823 -0.008 0.000 0.998 283 V HN 0.721 nan 8.190 nan 0.000 0.424 284 R N 3.563 124.064 120.500 0.002 0.000 2.623 284 R HA 0.376 4.715 4.340 -0.001 0.000 0.271 284 R C -0.585 175.715 176.300 0.000 0.000 1.043 284 R CA -0.057 56.044 56.100 0.002 0.000 1.083 284 R CB 0.631 30.934 30.300 0.005 0.000 0.974 284 R HN 0.538 nan 8.270 nan 0.000 0.436 285 L N 4.115 125.338 121.223 0.000 0.000 2.375 285 L HA 0.281 4.620 4.340 -0.001 0.000 0.268 285 L C -1.232 175.638 176.870 -0.000 0.000 1.058 285 L CA -2.059 52.780 54.840 -0.001 0.000 0.803 285 L CB 0.839 42.897 42.059 -0.001 0.000 1.212 285 L HN 0.321 nan 8.230 nan 0.000 0.451 286 P HA -0.153 nan 4.420 nan 0.000 0.216 286 P C 0.984 178.286 177.300 0.002 0.000 1.154 286 P CA 1.265 64.365 63.100 0.001 0.000 0.865 286 P CB 0.212 31.912 31.700 0.000 0.000 0.789 287 S N -2.296 113.403 115.700 -0.000 0.000 2.631 287 S HA 0.345 4.815 4.470 -0.001 0.000 0.217 287 S C 1.501 176.105 174.600 0.005 0.000 0.958 287 S CA 0.631 58.833 58.200 0.002 0.000 0.920 287 S CB -0.232 62.968 63.200 -0.001 0.000 0.776 287 S HN 0.390 nan 8.310 nan 0.000 0.517 288 G N 0.896 109.699 108.800 0.006 0.000 2.436 288 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.204 288 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.204 288 G C 0.538 175.442 174.900 0.008 0.000 1.026 288 G CA -0.290 44.814 45.100 0.007 0.000 0.658 288 G HN 0.737 nan 8.290 nan 0.000 0.499 289 G N 0.255 109.060 108.800 0.009 0.000 2.529 289 G HA2 0.614 4.574 3.960 -0.001 0.000 0.277 289 G HA3 0.614 4.574 3.960 -0.001 0.000 0.277 289 G C 0.427 175.331 174.900 0.006 0.000 1.383 289 G CA 1.606 46.712 45.100 0.010 0.000 1.050 289 G HN 1.973 nan 8.290 nan 0.000 0.526 290 S N -2.043 113.660 115.700 0.004 0.000 2.611 290 S HA 0.590 5.059 4.470 -0.001 0.000 0.268 290 S C -0.698 173.895 174.600 -0.011 0.000 1.156 290 S CA -0.678 57.520 58.200 -0.003 0.000 0.817 290 S CB 1.154 64.352 63.200 -0.003 0.000 1.122 290 S HN 1.309 nan 8.310 nan 0.000 0.466 291 I N -0.942 119.615 120.570 -0.021 0.000 2.648 291 I HA 0.937 5.107 4.170 -0.001 0.000 0.304 291 I C -1.242 174.851 176.117 -0.039 0.000 1.009 291 I CA -1.341 59.935 61.300 -0.040 0.000 1.114 291 I CB 1.912 39.880 38.000 -0.054 0.000 1.293 291 I HN 0.449 nan 8.210 nan 0.000 0.449 292 V N 5.855 125.739 119.914 -0.050 0.000 2.531 292 V HA 0.486 4.605 4.120 -0.001 0.000 0.301 292 V C -0.141 175.917 176.094 -0.059 0.000 1.034 292 V CA -0.368 61.905 62.300 -0.045 0.000 0.865 292 V CB 1.759 33.560 31.823 -0.037 0.000 0.995 292 V HN 0.559 nan 8.190 nan 0.000 0.424 293 I N 4.095 124.630 120.570 -0.058 0.000 2.362 293 I HA 0.523 4.693 4.170 -0.001 0.000 0.289 293 I C -0.947 175.129 176.117 -0.068 0.000 0.994 293 I CA -0.320 60.939 61.300 -0.070 0.000 1.158 293 I CB 1.748 39.703 38.000 -0.075 0.000 1.315 293 I HN 0.502 nan 8.210 nan 0.000 0.451 294 D N 4.160 124.519 120.400 -0.068 0.000 2.646 294 D HA 0.384 5.023 4.640 -0.001 0.000 0.245 294 D C -0.624 175.637 176.300 -0.065 0.000 1.099 294 D CA -0.174 53.788 54.000 -0.063 0.000 0.849 294 D CB 2.435 43.203 40.800 -0.053 0.000 1.448 294 D HN 0.503 nan 8.370 nan 0.000 0.489 295 S N 0.419 116.079 115.700 -0.067 0.000 2.537 295 S HA 0.843 5.313 4.470 -0.001 0.000 0.301 295 S C -0.079 174.491 174.600 -0.051 0.000 1.092 295 S CA -0.449 57.714 58.200 -0.063 0.000 1.048 295 S CB 1.825 64.981 63.200 -0.074 0.000 1.053 295 S HN 0.457 nan 8.310 nan 0.000 0.501 296 T N -0.340 114.188 114.554 -0.045 0.000 2.831 296 T HA 0.513 4.863 4.350 -0.001 0.000 0.287 296 T C 0.779 175.460 174.700 -0.032 0.000 1.070 296 T CA -0.476 61.602 62.100 -0.037 0.000 1.010 296 T CB 1.188 70.034 68.868 -0.037 0.000 1.264 296 T HN 0.584 nan 8.240 nan 0.000 0.532 297 E N 0.888 121.072 120.200 -0.027 0.000 2.033 297 E HA -0.130 4.220 4.350 -0.001 0.000 0.199 297 E C 2.265 178.849 176.600 -0.025 0.000 1.011 297 E CA 2.331 58.716 56.400 -0.024 0.000 0.815 297 E CB -0.879 28.809 29.700 -0.021 0.000 0.755 297 E HN 0.786 nan 8.360 nan 0.000 0.451 298 A N -0.577 122.227 122.820 -0.027 0.000 2.067 298 A HA 0.252 4.571 4.320 -0.001 0.000 0.219 298 A C 0.451 178.018 177.584 -0.029 0.000 1.158 298 A CA 1.300 53.321 52.037 -0.026 0.000 0.661 298 A CB -0.498 18.487 19.000 -0.026 0.000 0.801 298 A HN 0.403 nan 8.150 nan 0.000 0.452 299 L N -6.532 114.671 121.223 -0.033 0.000 3.118 299 L HA 0.476 4.816 4.340 -0.001 0.000 0.269 299 L C -1.053 175.791 176.870 -0.043 0.000 0.984 299 L CA -0.539 54.280 54.840 -0.036 0.000 1.013 299 L CB 0.819 42.858 42.059 -0.034 0.000 1.521 299 L HN -0.244 nan 8.230 nan 0.000 0.400 300 T N 1.311 115.836 114.554 -0.047 0.000 2.767 300 T HA 0.871 5.221 4.350 -0.001 0.000 0.284 300 T C -0.162 174.501 174.700 -0.061 0.000 0.973 300 T CA 0.229 62.295 62.100 -0.057 0.000 0.996 300 T CB 1.262 70.094 68.868 -0.061 0.000 0.927 300 T HN 0.971 nan 8.240 nan 0.000 0.456 301 A N 4.167 126.948 122.820 -0.065 0.000 2.304 301 A HA 0.823 5.143 4.320 -0.001 0.000 0.323 301 A C -0.485 177.049 177.584 -0.083 0.000 1.195 301 A CA -0.713 51.281 52.037 -0.071 0.000 0.826 301 A CB 0.428 19.391 19.000 -0.062 0.000 1.184 301 A HN 0.865 nan 8.150 nan 0.000 0.496 302 I N 2.068 122.574 120.570 -0.107 0.000 2.418 302 I HA 0.299 4.468 4.170 -0.001 0.000 0.287 302 I C -0.802 175.229 176.117 -0.142 0.000 1.008 302 I CA -0.512 60.713 61.300 -0.124 0.000 1.104 302 I CB 2.046 39.952 38.000 -0.156 0.000 1.264 302 I HN 0.725 nan 8.210 nan 0.000 0.438 303 D N 6.554 126.889 120.400 -0.108 0.000 2.384 303 D HA 0.653 5.293 4.640 -0.001 0.000 0.250 303 D C -0.955 175.291 176.300 -0.090 0.000 1.029 303 D CA -0.294 53.649 54.000 -0.094 0.000 0.990 303 D CB 1.682 42.448 40.800 -0.057 0.000 1.175 303 D HN 0.296 nan 8.370 nan 0.000 0.532 304 I N 2.137 122.670 120.570 -0.062 0.000 2.534 304 I HA 0.316 4.486 4.170 -0.001 0.000 0.288 304 I C -0.828 175.293 176.117 0.006 0.000 1.077 304 I CA -0.921 60.360 61.300 -0.031 0.000 1.051 304 I CB 1.705 39.690 38.000 -0.024 0.000 1.234 304 I HN 0.267 nan 8.210 nan 0.000 0.425 305 N N 3.705 122.410 118.700 0.008 0.000 2.335 305 N HA 0.507 5.246 4.740 -0.001 0.000 0.304 305 N C -0.577 174.946 175.510 0.023 0.000 1.135 305 N CA -0.465 52.595 53.050 0.016 0.000 0.817 305 N CB 2.566 41.059 38.487 0.008 0.000 1.294 305 N HN 0.680 nan 8.380 nan 0.000 0.497 306 S N -0.676 115.041 115.700 0.027 0.000 2.747 306 S HA 0.707 5.177 4.470 -0.001 0.000 0.300 306 S C 0.917 175.530 174.600 0.021 0.000 1.121 306 S CA -0.365 57.851 58.200 0.028 0.000 0.995 306 S CB 1.615 64.837 63.200 0.036 0.000 1.113 306 S HN 0.597 nan 8.310 nan 0.000 0.547 307 A N 0.826 123.658 122.820 0.020 0.000 1.835 307 A HA 0.593 4.913 4.320 -0.001 0.000 0.213 307 A C 1.551 179.144 177.584 0.015 0.000 1.210 307 A CA 1.362 53.408 52.037 0.015 0.000 0.605 307 A CB -1.236 17.772 19.000 0.014 0.000 0.860 307 A HN 1.498 nan 8.150 nan 0.000 0.447 314 D N 2.419 122.840 120.400 0.035 0.000 2.434 314 D HA 0.097 4.737 4.640 -0.001 0.000 0.252 314 D C 1.804 178.134 176.300 0.050 0.000 1.185 314 D CA -0.282 53.742 54.000 0.041 0.000 0.886 314 D CB 0.669 41.498 40.800 0.047 0.000 1.148 314 D HN 0.281 nan 8.370 nan 0.000 0.483 315 I N 2.861 123.459 120.570 0.047 0.000 2.142 315 I HA -0.246 3.924 4.170 -0.001 0.000 0.240 315 I C 2.207 178.370 176.117 0.077 0.000 1.078 315 I CA 0.937 62.270 61.300 0.055 0.000 1.343 315 I CB -0.251 37.777 38.000 0.046 0.000 1.046 315 I HN 0.564 nan 8.210 nan 0.000 0.405 316 E N 0.811 121.060 120.200 0.082 0.000 2.070 316 E HA -0.322 4.028 4.350 -0.001 0.000 0.197 316 E C 2.036 178.729 176.600 0.155 0.000 1.004 316 E CA 1.892 58.366 56.400 0.123 0.000 0.805 316 E CB 0.048 29.810 29.700 0.103 0.000 0.744 316 E HN 0.314 nan 8.360 nan 0.000 0.451 317 E N -0.224 120.051 120.200 0.125 0.000 2.047 317 E HA -0.124 4.226 4.350 -0.001 0.000 0.191 317 E C 1.962 178.637 176.600 0.125 0.000 0.987 317 E CA 1.937 58.417 56.400 0.134 0.000 0.799 317 E CB -0.492 29.266 29.700 0.098 0.000 0.752 317 E HN 0.140 nan 8.360 nan 0.000 0.449 318 T N 0.404 115.011 114.554 0.089 0.000 2.684 318 T HA -0.179 4.171 4.350 -0.001 0.000 0.267 318 T C 1.803 176.549 174.700 0.077 0.000 1.036 318 T CA 1.868 64.009 62.100 0.068 0.000 1.148 318 T CB -0.623 68.278 68.868 0.055 0.000 0.863 318 T HN 0.367 nan 8.240 nan 0.000 0.436 319 A N 0.738 123.620 122.820 0.104 0.000 1.933 319 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 319 A C 2.008 179.669 177.584 0.127 0.000 1.175 319 A CA 1.330 53.437 52.037 0.116 0.000 0.628 319 A CB -0.849 18.232 19.000 0.135 0.000 0.814 319 A HN 0.457 nan 8.150 nan 0.000 0.444 320 F N 1.400 121.302 119.950 -0.080 0.000 2.060 320 F HA -0.136 4.391 4.527 -0.001 0.000 0.295 320 F C 2.190 177.910 175.800 -0.132 0.000 1.120 320 F CA 1.722 59.599 58.000 -0.204 0.000 1.205 320 F CB -0.585 38.145 39.000 -0.450 0.000 0.986 320 F HN 0.369 nan 8.300 nan 0.000 0.470 321 N N -0.464 118.158 118.700 -0.131 0.000 2.149 321 N HA -0.182 4.558 4.740 -0.001 0.000 0.188 321 N C 1.630 177.050 175.510 -0.149 0.000 1.019 321 N CA 2.064 54.991 53.050 -0.204 0.000 0.857 321 N CB -0.218 38.226 38.487 -0.071 0.000 0.997 321 N HN 0.326 nan 8.380 nan 0.000 0.426 322 T N 1.248 115.766 114.554 -0.059 0.000 2.737 322 T HA -0.038 4.312 4.350 -0.001 0.000 0.265 322 T C 1.597 176.295 174.700 -0.003 0.000 1.038 322 T CA 0.882 62.972 62.100 -0.016 0.000 1.144 322 T CB -0.282 68.601 68.868 0.025 0.000 0.866 322 T HN 0.290 nan 8.240 nan 0.000 0.434 323 N N 1.231 119.934 118.700 0.004 0.000 2.149 323 N HA 0.003 4.743 4.740 -0.001 0.000 0.188 323 N C 1.830 177.311 175.510 -0.048 0.000 1.019 323 N CA 0.833 53.930 53.050 0.079 0.000 0.857 323 N CB -0.543 37.943 38.487 -0.001 0.000 0.997 323 N HN 0.344 nan 8.380 nan 0.000 0.426 324 L N 1.258 122.333 121.223 -0.247 0.000 2.017 324 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 324 L C 2.174 178.973 176.870 -0.119 0.000 1.073 324 L CA 1.191 55.870 54.840 -0.269 0.000 0.745 324 L CB -0.400 41.392 42.059 -0.445 0.000 0.894 324 L HN 0.194 nan 8.230 nan 0.000 0.432 325 E N 0.121 120.264 120.200 -0.094 0.000 2.097 325 E HA -0.279 4.071 4.350 -0.001 0.000 0.196 325 E C 2.261 178.861 176.600 0.000 0.000 1.000 325 E CA 1.305 57.679 56.400 -0.043 0.000 0.804 325 E CB -0.222 29.458 29.700 -0.033 0.000 0.740 325 E HN 0.531 nan 8.360 nan 0.000 0.454 326 A N 1.512 124.358 122.820 0.043 0.000 1.902 326 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 326 A C 2.413 180.065 177.584 0.112 0.000 1.181 326 A CA 1.705 53.791 52.037 0.081 0.000 0.623 326 A CB -0.600 18.481 19.000 0.134 0.000 0.818 326 A HN 0.301 nan 8.150 nan 0.000 0.443 327 A N 0.094 123.014 122.820 0.166 0.000 1.908 327 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 327 A C 1.792 179.412 177.584 0.059 0.000 1.181 327 A CA 1.961 54.096 52.037 0.163 0.000 0.627 327 A CB -0.613 18.444 19.000 0.096 0.000 0.818 327 A HN 0.469 nan 8.150 nan 0.000 0.445 328 D N -0.661 119.748 120.400 0.015 0.000 2.092 328 D HA -0.150 4.490 4.640 -0.001 0.000 0.193 328 D C 1.944 178.237 176.300 -0.011 0.000 0.994 328 D CA 1.743 55.736 54.000 -0.012 0.000 0.828 328 D CB -0.366 40.415 40.800 -0.032 0.000 0.963 328 D HN 0.528 nan 8.370 nan 0.000 0.450 329 E N 0.467 120.663 120.200 -0.007 0.000 2.110 329 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 329 E C 2.164 178.756 176.600 -0.014 0.000 0.988 329 E CA 0.548 56.940 56.400 -0.013 0.000 0.804 329 E CB -0.317 29.376 29.700 -0.012 0.000 0.745 329 E HN 0.304 nan 8.360 nan 0.000 0.458 330 I N 0.201 120.767 120.570 -0.006 0.000 2.179 330 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 330 I C 2.361 178.472 176.117 -0.011 0.000 1.088 330 I CA 1.041 62.330 61.300 -0.018 0.000 1.357 330 I CB -0.457 37.530 38.000 -0.022 0.000 1.051 330 I HN 0.180 nan 8.210 nan 0.000 0.409 331 A N 1.822 124.644 122.820 0.004 0.000 1.892 331 A HA -0.296 4.024 4.320 -0.001 0.000 0.218 331 A C 2.287 179.872 177.584 0.002 0.000 1.188 331 A CA 2.625 54.665 52.037 0.005 0.000 0.631 331 A CB -0.731 18.273 19.000 0.008 0.000 0.822 331 A HN 0.567 nan 8.150 nan 0.000 0.447 332 R N -1.382 119.116 120.500 -0.003 0.000 2.093 332 R HA -0.022 4.318 4.340 -0.001 0.000 0.224 332 R C 1.958 178.248 176.300 -0.016 0.000 1.101 332 R CA 1.355 57.456 56.100 0.001 0.000 0.979 332 R CB -0.516 29.788 30.300 0.007 0.000 0.877 332 R HN 0.387 nan 8.270 nan 0.000 0.441 333 Q N 1.176 120.959 119.800 -0.027 0.000 2.135 333 Q HA -0.081 4.259 4.340 -0.001 0.000 0.204 333 Q C 2.256 178.226 176.000 -0.051 0.000 0.981 333 Q CA 1.477 57.253 55.803 -0.045 0.000 0.856 333 Q CB -0.299 28.410 28.738 -0.049 0.000 0.902 333 Q HN 0.453 nan 8.270 nan 0.000 0.425 334 L N -0.010 121.190 121.223 -0.037 0.000 2.042 334 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 334 L C 2.658 179.509 176.870 -0.032 0.000 1.076 334 L CA 1.420 56.239 54.840 -0.035 0.000 0.749 334 L CB -0.305 41.741 42.059 -0.021 0.000 0.893 334 L HN 0.218 nan 8.230 nan 0.000 0.432 335 R N -0.343 120.146 120.500 -0.019 0.000 2.055 335 R HA -0.045 4.295 4.340 -0.001 0.000 0.226 335 R C 2.314 178.590 176.300 -0.041 0.000 1.135 335 R CA 0.892 56.985 56.100 -0.011 0.000 0.959 335 R CB -0.278 30.033 30.300 0.020 0.000 0.854 335 R HN 0.276 nan 8.270 nan 0.000 0.431 336 L N 0.264 121.454 121.223 -0.055 0.000 2.042 336 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 336 L C 2.221 179.020 176.870 -0.119 0.000 1.076 336 L CA 1.528 56.317 54.840 -0.084 0.000 0.749 336 L CB -0.354 41.658 42.059 -0.079 0.000 0.893 336 L HN 0.148 nan 8.230 nan 0.000 0.432 337 R N -0.621 119.807 120.500 -0.120 0.000 2.297 337 R HA -0.015 4.324 4.340 -0.001 0.000 0.197 337 R C -0.078 176.151 176.300 -0.118 0.000 0.943 337 R CA -0.019 55.987 56.100 -0.157 0.000 1.038 337 R CB -0.004 30.205 30.300 -0.151 0.000 0.957 337 R HN 0.179 nan 8.270 nan 0.000 0.484 338 D N 1.213 121.564 120.400 -0.081 0.000 2.686 338 D HA -0.193 4.447 4.640 -0.001 0.000 0.235 338 D C -0.796 175.471 176.300 -0.054 0.000 1.160 338 D CA 0.886 54.853 54.000 -0.054 0.000 0.645 338 D CB -0.726 40.045 40.800 -0.048 0.000 1.039 338 D HN 0.274 nan 8.370 nan 0.000 0.423 339 L N 0.128 121.317 121.223 -0.057 0.000 2.416 339 L HA 0.423 4.763 4.340 -0.001 0.000 0.272 339 L C 1.477 178.325 176.870 -0.037 0.000 1.161 339 L CA 0.379 55.187 54.840 -0.054 0.000 0.845 339 L CB 1.257 43.280 42.059 -0.060 0.000 1.119 339 L HN 0.141 nan 8.230 nan 0.000 0.464 340 G N 0.828 109.607 108.800 -0.034 0.000 2.694 340 G HA2 0.672 4.631 3.960 -0.001 0.000 0.290 340 G HA3 0.672 4.631 3.960 -0.001 0.000 0.290 340 G C -0.370 174.515 174.900 -0.026 0.000 1.386 340 G CA -0.073 45.012 45.100 -0.025 0.000 0.872 340 G HN 0.963 nan 8.290 nan 0.000 0.475 341 G N -1.139 107.649 108.800 -0.021 0.000 2.542 341 G HA2 0.163 4.123 3.960 -0.001 0.000 0.235 341 G HA3 0.163 4.123 3.960 -0.001 0.000 0.235 341 G C -0.616 174.272 174.900 -0.021 0.000 1.286 341 G CA -0.074 45.013 45.100 -0.021 0.000 0.904 341 G HN 1.482 nan 8.290 nan 0.000 0.577 342 L N 0.737 121.946 121.223 -0.022 0.000 2.360 342 L HA 0.713 5.053 4.340 -0.001 0.000 0.276 342 L C 0.411 177.264 176.870 -0.028 0.000 1.121 342 L CA 0.037 54.864 54.840 -0.021 0.000 0.845 342 L CB 0.413 42.460 42.059 -0.020 0.000 1.143 342 L HN 0.471 nan 8.230 nan 0.000 0.452 343 I N 4.689 125.243 120.570 -0.027 0.000 2.533 343 I HA 0.439 4.608 4.170 -0.001 0.000 0.290 343 I C -0.913 175.181 176.117 -0.037 0.000 1.056 343 I CA -0.687 60.590 61.300 -0.038 0.000 1.057 343 I CB 2.218 40.194 38.000 -0.040 0.000 1.240 343 I HN 0.111 nan 8.210 nan 0.000 0.423 344 V N 6.936 126.819 119.914 -0.051 0.000 2.487 344 V HA 0.515 4.634 4.120 -0.001 0.000 0.298 344 V C -0.283 175.756 176.094 -0.092 0.000 1.028 344 V CA -0.427 61.843 62.300 -0.050 0.000 0.860 344 V CB 2.030 33.829 31.823 -0.040 0.000 0.991 344 V HN 0.456 nan 8.190 nan 0.000 0.427 345 I N 3.653 124.152 120.570 -0.119 0.000 2.433 345 I HA 0.403 4.573 4.170 -0.001 0.000 0.292 345 I C -0.678 175.282 176.117 -0.262 0.000 1.001 345 I CA -0.384 60.752 61.300 -0.274 0.000 1.119 345 I CB 2.000 39.719 38.000 -0.468 0.000 1.289 345 I HN 0.556 nan 8.210 nan 0.000 0.438 346 D N 6.596 126.833 120.400 -0.271 0.000 2.540 346 D HA 0.302 4.941 4.640 -0.001 0.000 0.251 346 D C -0.544 175.687 176.300 -0.116 0.000 1.159 346 D CA -0.314 53.612 54.000 -0.123 0.000 0.974 346 D CB 0.197 40.959 40.800 -0.064 0.000 0.996 346 D HN 0.041 nan 8.370 nan 0.000 0.512 347 F N 1.668 121.639 119.950 0.035 0.000 2.490 347 F HA 0.243 4.770 4.527 -0.001 0.000 0.336 347 F C 1.453 177.280 175.800 0.046 0.000 1.178 347 F CA -0.403 57.619 58.000 0.036 0.000 1.301 347 F CB 0.430 39.458 39.000 0.045 0.000 1.175 347 F HN 0.152 nan 8.300 nan 0.000 0.593 348 I N 1.199 121.927 120.570 0.264 0.000 2.813 348 I HA -0.082 4.087 4.170 -0.001 0.000 0.287 348 I C 0.272 176.492 176.117 0.172 0.000 1.196 348 I CA -0.045 61.356 61.300 0.169 0.000 1.421 348 I CB 0.156 38.240 38.000 0.139 0.000 1.365 348 I HN 0.503 nan 8.210 nan 0.000 0.591 349 D N 5.845 126.323 120.400 0.131 0.000 2.488 349 D HA 0.153 4.793 4.640 -0.001 0.000 0.238 349 D C -0.708 175.664 176.300 0.120 0.000 1.138 349 D CA 0.754 54.825 54.000 0.117 0.000 0.873 349 D CB 0.491 41.344 40.800 0.088 0.000 1.183 349 D HN 0.239 nan 8.370 nan 0.000 0.458 350 M N 2.142 121.812 119.600 0.117 0.000 2.259 350 M HA 0.180 4.660 4.480 -0.001 0.000 0.304 350 M C 1.176 177.511 176.300 0.060 0.000 1.019 350 M CA -0.677 54.701 55.300 0.129 0.000 0.922 350 M CB 2.184 34.904 32.600 0.198 0.000 1.600 350 M HN 0.484 nan 8.290 nan 0.000 0.433 351 T N -0.896 113.670 114.554 0.021 0.000 2.812 351 T HA 0.133 4.483 4.350 -0.001 0.000 0.264 351 T C -1.547 173.100 174.700 -0.089 0.000 1.042 351 T CA 0.357 62.439 62.100 -0.029 0.000 1.140 351 T CB -1.372 67.478 68.868 -0.030 0.000 0.870 351 T HN 0.365 nan 8.240 nan 0.000 0.445 352 P HA 0.391 nan 4.420 nan 0.000 0.276 352 P C 0.880 178.059 177.300 -0.201 0.000 1.253 352 P CA -0.270 62.652 63.100 -0.297 0.000 0.766 352 P CB 1.332 32.626 31.700 -0.676 0.000 0.845 353 V N 4.383 124.223 119.914 -0.124 0.000 2.469 353 V HA -0.275 3.845 4.120 -0.001 0.000 0.251 353 V C 2.494 178.564 176.094 -0.040 0.000 1.064 353 V CA 2.222 64.486 62.300 -0.060 0.000 1.066 353 V CB -0.919 30.871 31.823 -0.054 0.000 0.667 353 V HN 0.644 nan 8.190 nan 0.000 0.461 354 R N -0.811 119.638 120.500 -0.086 0.000 2.115 354 R HA -0.185 4.154 4.340 -0.001 0.000 0.230 354 R C 2.130 178.457 176.300 0.045 0.000 1.111 354 R CA 1.761 57.839 56.100 -0.037 0.000 0.976 354 R CB -0.726 29.529 30.300 -0.075 0.000 0.870 354 R HN 0.453 nan 8.270 nan 0.000 0.445 355 H N 1.339 120.312 119.070 -0.161 0.000 2.352 355 H HA -0.083 4.473 4.556 -0.001 0.000 0.299 355 H C 2.047 177.406 175.328 0.052 0.000 1.097 355 H CA 1.944 57.897 56.048 -0.159 0.000 1.311 355 H CB -0.354 29.270 29.762 -0.231 0.000 1.377 355 H HN 0.421 nan 8.280 nan 0.000 0.504 356 Q N 0.022 119.906 119.800 0.140 0.000 2.061 356 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 356 Q C 2.419 178.456 176.000 0.061 0.000 0.984 356 Q CA 1.149 56.998 55.803 0.077 0.000 0.846 356 Q CB 0.105 28.880 28.738 0.061 0.000 0.902 356 Q HN 0.301 nan 8.270 nan 0.000 0.421 357 R N 0.209 120.754 120.500 0.076 0.000 2.081 357 R HA -0.075 4.265 4.340 -0.001 0.000 0.235 357 R C 2.181 178.523 176.300 0.069 0.000 1.131 357 R CA 1.324 57.469 56.100 0.076 0.000 0.960 357 R CB -0.854 29.486 30.300 0.068 0.000 0.856 357 R HN 0.281 nan 8.270 nan 0.000 0.436 358 A N 0.962 123.854 122.820 0.120 0.000 1.877 358 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 358 A C 2.545 180.152 177.584 0.038 0.000 1.186 358 A CA 1.577 53.700 52.037 0.142 0.000 0.620 358 A CB -0.650 18.549 19.000 0.333 0.000 0.822 358 A HN 0.093 nan 8.150 nan 0.000 0.443 359 V N 0.369 120.280 119.914 -0.005 0.000 2.287 359 V HA -0.324 3.795 4.120 -0.001 0.000 0.248 359 V C 2.426 178.377 176.094 -0.238 0.000 1.053 359 V CA 2.457 64.608 62.300 -0.249 0.000 1.027 359 V CB -1.034 30.487 31.823 -0.502 0.000 0.646 359 V HN 0.688 nan 8.190 nan 0.000 0.447 360 E N 0.377 120.488 120.200 -0.148 0.000 2.049 360 E HA -0.260 4.090 4.350 -0.001 0.000 0.198 360 E C 2.113 178.690 176.600 -0.038 0.000 1.007 360 E CA 1.619 57.980 56.400 -0.065 0.000 0.809 360 E CB -0.370 29.321 29.700 -0.015 0.000 0.749 360 E HN 0.569 nan 8.360 nan 0.000 0.450 361 N N 0.594 119.282 118.700 -0.019 0.000 2.149 361 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 361 N C 1.734 177.233 175.510 -0.019 0.000 1.019 361 N CA 0.665 53.710 53.050 -0.009 0.000 0.857 361 N CB -0.221 38.272 38.487 0.010 0.000 0.997 361 N HN 0.029 nan 8.380 nan 0.000 0.426 362 R N 1.297 121.772 120.500 -0.041 0.000 2.083 362 R HA -0.077 4.263 4.340 -0.001 0.000 0.237 362 R C 2.097 178.382 176.300 -0.025 0.000 1.137 362 R CA 0.823 56.893 56.100 -0.050 0.000 0.951 362 R CB -1.094 29.145 30.300 -0.101 0.000 0.851 362 R HN 0.242 nan 8.270 nan 0.000 0.434 363 L N 1.320 122.536 121.223 -0.012 0.000 2.046 363 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 363 L C 2.348 179.227 176.870 0.015 0.000 1.077 363 L CA 1.745 56.602 54.840 0.030 0.000 0.747 363 L CB -0.428 41.683 42.059 0.086 0.000 0.896 363 L HN 0.074 nan 8.230 nan 0.000 0.432 364 R N -0.690 119.811 120.500 0.002 0.000 2.091 364 R HA -0.162 4.178 4.340 -0.001 0.000 0.238 364 R C 2.147 178.445 176.300 -0.002 0.000 1.136 364 R CA 1.378 57.476 56.100 -0.003 0.000 0.959 364 R CB -0.474 29.820 30.300 -0.010 0.000 0.856 364 R HN 0.405 nan 8.270 nan 0.000 0.437 365 E N 0.545 120.742 120.200 -0.005 0.000 2.106 365 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 365 E C 1.820 178.417 176.600 -0.006 0.000 0.984 365 E CA 1.194 57.590 56.400 -0.006 0.000 0.806 365 E CB -0.027 29.668 29.700 -0.008 0.000 0.750 365 E HN 0.317 nan 8.360 nan 0.000 0.458 366 A N 0.570 123.387 122.820 -0.005 0.000 2.067 366 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 366 A C 2.139 179.723 177.584 -0.001 0.000 1.156 366 A CA 1.250 53.283 52.037 -0.007 0.000 0.683 366 A CB -0.130 18.867 19.000 -0.005 0.000 0.808 366 A HN 0.174 nan 8.150 nan 0.000 0.455 367 V N -3.019 116.898 119.914 0.005 0.000 3.621 367 V HA 0.216 4.336 4.120 -0.001 0.000 0.285 367 V C 1.787 177.887 176.094 0.010 0.000 1.346 367 V CA 0.791 63.097 62.300 0.011 0.000 1.104 367 V CB -0.722 31.108 31.823 0.011 0.000 0.913 367 V HN 0.511 nan 8.190 nan 0.000 0.432 368 R N 2.038 122.540 120.500 0.004 0.000 2.105 368 R HA -0.226 4.113 4.340 -0.001 0.000 0.239 368 R C 2.254 178.559 176.300 0.008 0.000 1.135 368 R CA 2.396 58.498 56.100 0.003 0.000 0.967 368 R CB -0.197 30.102 30.300 -0.002 0.000 0.861 368 R HN 0.839 nan 8.270 nan 0.000 0.442 369 Q N -0.003 119.805 119.800 0.012 0.000 2.435 369 Q HA 0.010 4.350 4.340 -0.001 0.000 0.207 369 Q C 0.001 176.036 176.000 0.058 0.000 0.956 369 Q CA 0.381 56.200 55.803 0.028 0.000 0.917 369 Q CB -0.003 28.744 28.738 0.014 0.000 0.997 369 Q HN 0.124 nan 8.270 nan 0.000 0.497 370 D N 1.117 121.547 120.400 0.051 0.000 2.443 370 D HA 0.002 4.641 4.640 -0.001 0.000 0.239 370 D C 0.405 176.729 176.300 0.041 0.000 1.136 370 D CA 0.136 54.172 54.000 0.060 0.000 0.879 370 D CB 0.827 41.651 40.800 0.040 0.000 1.195 370 D HN 0.181 nan 8.370 nan 0.000 0.443 371 R N 1.770 122.299 120.500 0.047 0.000 2.200 371 R HA 0.115 4.455 4.340 -0.001 0.000 0.208 371 R C 0.509 176.813 176.300 0.007 0.000 1.033 371 R CA 0.098 56.203 56.100 0.009 0.000 1.000 371 R CB 0.160 30.451 30.300 -0.014 0.000 0.906 371 R HN 0.405 nan 8.270 nan 0.000 0.462 372 A N 1.844 124.675 122.820 0.020 0.000 2.425 372 A HA 0.173 4.493 4.320 -0.001 0.000 0.249 372 A C -0.070 177.515 177.584 0.003 0.000 1.084 372 A CA -0.231 51.812 52.037 0.010 0.000 0.781 372 A CB 0.278 19.285 19.000 0.012 0.000 1.019 372 A HN 0.214 nan 8.150 nan 0.000 0.490 373 R N 0.706 121.204 120.500 -0.003 0.000 2.623 373 R HA 0.354 4.693 4.340 -0.001 0.000 0.271 373 R C -0.675 175.623 176.300 -0.004 0.000 1.043 373 R CA 0.572 56.669 56.100 -0.005 0.000 1.083 373 R CB 0.242 30.537 30.300 -0.008 0.000 0.974 373 R HN 0.651 nan 8.270 nan 0.000 0.436 374 I N 1.413 121.980 120.570 -0.005 0.000 2.802 374 I HA 0.226 4.396 4.170 -0.001 0.000 0.298 374 I C -0.687 175.424 176.117 -0.009 0.000 1.176 374 I CA -0.741 60.556 61.300 -0.005 0.000 1.025 374 I CB 2.617 40.615 38.000 -0.002 0.000 1.243 374 I HN 0.428 nan 8.210 nan 0.000 0.424 375 Q N 5.306 125.100 119.800 -0.010 0.000 2.285 375 Q HA 0.613 4.953 4.340 -0.001 0.000 0.269 375 Q C -1.455 174.534 176.000 -0.018 0.000 1.030 375 Q CA -0.571 55.223 55.803 -0.015 0.000 0.788 375 Q CB 3.437 32.168 28.738 -0.013 0.000 1.266 375 Q HN 0.474 nan 8.270 nan 0.000 0.438 376 I N 1.103 121.653 120.570 -0.033 0.000 2.648 376 I HA 0.441 4.611 4.170 -0.001 0.000 0.304 376 I C 0.408 176.469 176.117 -0.093 0.000 1.009 376 I CA -0.282 60.993 61.300 -0.041 0.000 1.114 376 I CB 2.009 39.986 38.000 -0.038 0.000 1.293 376 I HN 0.674 nan 8.210 nan 0.000 0.449 377 S N 2.998 118.645 115.700 -0.088 0.000 2.786 377 S HA 0.573 5.042 4.470 -0.001 0.000 0.302 377 S C -0.311 174.150 174.600 -0.231 0.000 1.080 377 S CA -0.801 57.301 58.200 -0.162 0.000 0.925 377 S CB 1.072 64.266 63.200 -0.009 0.000 1.325 377 S HN 0.512 nan 8.310 nan 0.000 0.576 378 H N -0.586 118.515 119.070 0.052 0.000 2.523 378 H HA 0.481 5.037 4.556 -0.001 0.000 0.345 378 H C -0.263 175.111 175.328 0.076 0.000 1.261 378 H CA -0.651 55.429 56.048 0.054 0.000 1.343 378 H CB 0.606 30.390 29.762 0.036 0.000 1.650 378 H HN 0.455 nan 8.280 nan 0.000 0.591 379 I N 1.977 122.677 120.570 0.217 0.000 2.496 379 I HA -0.062 4.107 4.170 -0.001 0.000 0.285 379 I C 1.221 177.427 176.117 0.150 0.000 1.080 379 I CA -0.015 61.393 61.300 0.179 0.000 1.404 379 I CB 0.685 38.780 38.000 0.158 0.000 1.403 379 I HN 0.539 nan 8.210 nan 0.000 0.539 380 S N 6.419 122.209 115.700 0.150 0.000 2.634 380 S HA 0.158 4.627 4.470 -0.001 0.000 0.261 380 S C 1.184 175.821 174.600 0.061 0.000 1.271 380 S CA -0.652 57.622 58.200 0.125 0.000 0.985 380 S CB 0.782 64.102 63.200 0.200 0.000 0.968 380 S HN 0.802 nan 8.310 nan 0.000 0.568 381 R N -0.667 119.804 120.500 -0.049 0.000 2.328 381 R HA 0.091 4.431 4.340 -0.001 0.000 0.207 381 R C 0.685 176.840 176.300 -0.240 0.000 1.056 381 R CA 1.142 57.133 56.100 -0.183 0.000 1.016 381 R CB -0.675 29.437 30.300 -0.313 0.000 0.872 381 R HN 0.635 nan 8.270 nan 0.000 0.471 382 F N 0.105 120.077 119.950 0.038 0.000 2.695 382 F HA 0.372 4.899 4.527 -0.001 0.000 0.303 382 F C 1.527 177.356 175.800 0.048 0.000 1.091 382 F CA 0.407 58.429 58.000 0.036 0.000 1.300 382 F CB 1.252 40.269 39.000 0.029 0.000 1.071 382 F HN 0.307 nan 8.300 nan 0.000 0.578 383 G N 0.838 109.763 108.800 0.209 0.000 2.176 383 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.232 383 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.232 383 G C 0.109 175.123 174.900 0.190 0.000 0.986 383 G CA -0.383 44.825 45.100 0.180 0.000 0.643 383 G HN 0.183 nan 8.290 nan 0.000 0.522 384 L N 0.414 121.750 121.223 0.189 0.000 2.350 384 L HA 0.730 5.070 4.340 -0.001 0.000 0.275 384 L C 0.244 177.210 176.870 0.159 0.000 1.099 384 L CA -1.074 53.851 54.840 0.142 0.000 0.808 384 L CB 1.441 43.562 42.059 0.105 0.000 1.149 384 L HN 0.158 nan 8.230 nan 0.000 0.442 385 L N 2.932 124.243 121.223 0.147 0.000 2.305 385 L HA 0.397 4.737 4.340 -0.001 0.000 0.284 385 L C -0.459 176.458 176.870 0.078 0.000 1.013 385 L CA 0.008 54.941 54.840 0.154 0.000 0.819 385 L CB 1.438 43.662 42.059 0.274 0.000 1.227 385 L HN 0.504 nan 8.230 nan 0.000 0.417 386 E N 6.325 126.564 120.200 0.064 0.000 2.231 386 E HA 0.657 5.006 4.350 -0.001 0.000 0.277 386 E C -0.651 175.962 176.600 0.021 0.000 0.999 386 E CA -0.482 55.937 56.400 0.032 0.000 0.827 386 E CB 1.783 31.503 29.700 0.033 0.000 1.101 386 E HN 0.725 nan 8.360 nan 0.000 0.393 387 M N -0.686 118.918 119.600 0.007 0.000 2.622 387 M HA 0.599 5.079 4.480 -0.001 0.000 0.276 387 M C -1.245 175.051 176.300 -0.006 0.000 1.265 387 M CA -0.895 54.406 55.300 0.001 0.000 0.850 387 M CB 2.333 34.937 32.600 0.006 0.000 1.720 387 M HN 0.396 nan 8.290 nan 0.000 0.465 388 S N 0.695 116.391 115.700 -0.007 0.000 2.536 388 S HA 0.830 5.300 4.470 -0.001 0.000 0.287 388 S C -1.170 173.425 174.600 -0.009 0.000 1.101 388 S CA -0.866 57.328 58.200 -0.010 0.000 0.950 388 S CB 2.468 65.663 63.200 -0.008 0.000 1.056 388 S HN 1.034 nan 8.310 nan 0.000 0.481 389 R N 1.313 121.807 120.500 -0.011 0.000 2.686 389 R HA 0.387 4.727 4.340 -0.001 0.000 0.283 389 R C -0.832 175.463 176.300 -0.009 0.000 0.978 389 R CA -0.550 55.544 56.100 -0.009 0.000 0.897 389 R CB 1.740 32.033 30.300 -0.011 0.000 1.192 389 R HN 0.904 nan 8.270 nan 0.000 0.457 390 Q N 3.619 123.416 119.800 -0.006 0.000 2.332 390 Q HA 0.122 4.462 4.340 -0.001 0.000 0.263 390 Q C -0.775 175.223 176.000 -0.004 0.000 0.979 390 Q CA -0.085 55.715 55.803 -0.005 0.000 0.885 390 Q CB 0.865 29.602 28.738 -0.003 0.000 1.218 390 Q HN 0.477 nan 8.270 nan 0.000 0.405 391 R N 4.369 124.866 120.500 -0.005 0.000 2.288 391 R HA 0.113 4.452 4.340 -0.001 0.000 0.330 391 R C 0.581 176.883 176.300 0.003 0.000 1.069 391 R CA -0.020 56.078 56.100 -0.004 0.000 0.941 391 R CB 0.417 30.713 30.300 -0.006 0.000 0.998 391 R HN 0.750 nan 8.270 nan 0.000 0.452 392 L N 1.219 122.447 121.223 0.007 0.000 2.375 392 L HA 0.040 4.380 4.340 -0.001 0.000 0.215 392 L C 0.509 177.389 176.870 0.017 0.000 1.108 392 L CA 0.488 55.338 54.840 0.017 0.000 0.830 392 L CB 0.096 42.172 42.059 0.029 0.000 0.959 392 L HN 0.723 nan 8.230 nan 0.000 0.457 393 S N -2.877 112.829 115.700 0.009 0.000 2.688 393 S HA 0.366 4.836 4.470 -0.001 0.000 0.269 393 S C -2.997 171.604 174.600 0.001 0.000 1.060 393 S CA -1.234 56.971 58.200 0.009 0.000 0.844 393 S CB 0.688 63.894 63.200 0.011 0.000 1.095 393 S HN -0.269 nan 8.310 nan 0.000 0.466 394 P HA 0.297 nan 4.420 nan 0.000 0.269 394 P C 0.113 177.405 177.300 -0.013 0.000 1.215 394 P CA -0.172 62.928 63.100 0.000 0.000 0.780 394 P CB 0.381 32.089 31.700 0.012 0.000 0.898 395 S N 1.727 117.412 115.700 -0.024 0.000 2.608 395 S HA 0.155 4.625 4.470 -0.001 0.000 0.261 395 S C 1.388 175.958 174.600 -0.050 0.000 1.314 395 S CA -0.613 57.557 58.200 -0.050 0.000 0.992 395 S CB -0.020 63.141 63.200 -0.064 0.000 0.935 395 S HN 0.347 nan 8.310 nan 0.000 0.564 396 L N 0.953 122.115 121.223 -0.101 0.000 2.042 396 L HA -0.077 4.263 4.340 -0.001 0.000 0.210 396 L C 2.768 179.646 176.870 0.013 0.000 1.076 396 L CA 1.765 56.544 54.840 -0.101 0.000 0.749 396 L CB -1.389 40.487 42.059 -0.305 0.000 0.893 396 L HN 1.038 nan 8.230 nan 0.000 0.432 397 G N -0.266 108.469 108.800 -0.108 0.000 2.446 397 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 397 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 397 G C 1.333 176.253 174.900 0.034 0.000 1.168 397 G CA 0.734 45.754 45.100 -0.133 0.000 0.771 397 G HN 0.487 nan 8.290 nan 0.000 0.551 398 E N 0.354 120.567 120.200 0.021 0.000 2.208 398 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 398 E C 2.587 179.232 176.600 0.075 0.000 0.988 398 E CA 1.177 57.604 56.400 0.045 0.000 0.828 398 E CB 0.020 29.733 29.700 0.021 0.000 0.763 398 E HN 0.590 nan 8.360 nan 0.000 0.478 399 S N -0.777 114.974 115.700 0.084 0.000 2.506 399 S HA 0.141 4.610 4.470 -0.001 0.000 0.219 399 S C 1.556 176.221 174.600 0.109 0.000 1.031 399 S CA -0.190 58.059 58.200 0.081 0.000 0.911 399 S CB 0.600 63.832 63.200 0.054 0.000 0.812 399 S HN -0.007 nan 8.310 nan 0.000 0.497 400 S N 0.492 116.297 115.700 0.175 0.000 2.819 400 S HA 0.445 4.915 4.470 -0.001 0.000 0.249 400 S C -0.744 173.817 174.600 -0.066 0.000 1.030 400 S CA -0.542 57.732 58.200 0.124 0.000 1.052 400 S CB 0.231 63.575 63.200 0.241 0.000 1.017 400 S HN 0.618 nan 8.310 nan 0.000 0.576 401 H N 0.984 120.077 119.070 0.037 0.000 2.908 401 H HA 0.646 5.201 4.556 -0.001 0.000 0.350 401 H C -0.077 175.247 175.328 -0.008 0.000 1.217 401 H CA -0.832 55.183 56.048 -0.054 0.000 1.168 401 H CB 1.064 30.792 29.762 -0.057 0.000 1.891 401 H HN 0.293 nan 8.280 nan 0.000 0.566 402 H N -1.719 117.442 119.070 0.152 0.000 3.016 402 H HA 0.427 4.982 4.556 -0.001 0.000 0.362 402 H C -1.182 174.197 175.328 0.084 0.000 1.233 402 H CA -1.111 54.989 56.048 0.088 0.000 1.124 402 H CB 0.387 30.178 29.762 0.049 0.000 1.850 402 H HN 0.292 nan 8.280 nan 0.000 0.549 403 V N 1.591 121.641 119.914 0.228 0.000 2.540 403 V HA -0.123 3.997 4.120 -0.001 0.000 0.297 403 V C 1.401 177.612 176.094 0.195 0.000 1.024 403 V CA -0.077 62.311 62.300 0.147 0.000 1.105 403 V CB 0.009 31.892 31.823 0.100 0.000 0.938 403 V HN 0.888 nan 8.190 nan 0.000 0.482 404 C N 8.899 128.276 119.300 0.127 0.000 2.155 404 C HA -0.020 4.439 4.460 -0.001 0.000 0.392 404 C C -0.645 174.422 174.990 0.129 0.000 1.524 404 C CA -0.326 58.765 59.018 0.121 0.000 1.479 404 C CB -0.099 27.683 27.740 0.069 0.000 2.559 404 C HN 0.830 nan 8.230 nan 0.000 0.581 405 P HA 0.104 nan 4.420 nan 0.000 0.255 405 P C 0.898 178.279 177.300 0.136 0.000 1.248 405 P CA 0.444 63.610 63.100 0.110 0.000 0.807 405 P CB 0.171 31.919 31.700 0.080 0.000 1.150 406 R N 0.595 121.166 120.500 0.119 0.000 1.864 406 R HA 0.108 4.448 4.340 -0.001 0.000 0.174 406 R C 0.162 176.507 176.300 0.073 0.000 1.773 406 R CA 0.527 56.697 56.100 0.118 0.000 1.381 406 R CB -1.127 29.218 30.300 0.075 0.000 1.066 406 R HN 0.146 nan 8.270 nan 0.000 0.482 407 C N 1.310 120.626 119.300 0.026 0.000 2.563 407 C HA 0.219 4.679 4.460 -0.001 0.000 0.411 407 C C 0.620 175.626 174.990 0.027 0.000 1.386 407 C CA -0.366 58.653 59.018 0.001 0.000 1.703 407 C CB -0.027 27.713 27.740 -0.001 0.000 2.596 407 C HN 0.565 nan 8.230 nan 0.000 0.605 408 S N 2.669 118.374 115.700 0.009 0.000 2.699 408 S HA 0.467 4.937 4.470 -0.001 0.000 0.251 408 S C 1.407 176.021 174.600 0.022 0.000 1.179 408 S CA 0.640 58.858 58.200 0.031 0.000 1.200 408 S CB -0.556 62.657 63.200 0.021 0.000 0.848 408 S HN 1.918 nan 8.310 nan 0.000 0.472 409 G N 1.250 110.063 108.800 0.023 0.000 2.195 409 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.224 409 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.224 409 G C 0.969 175.868 174.900 -0.002 0.000 0.990 409 G CA 0.487 45.595 45.100 0.013 0.000 0.639 409 G HN 0.674 nan 8.290 nan 0.000 0.514 410 T N -1.742 112.808 114.554 -0.006 0.000 3.067 410 T HA 0.405 4.755 4.350 -0.001 0.000 0.257 410 T C 2.584 177.275 174.700 -0.015 0.000 1.105 410 T CA 1.817 63.908 62.100 -0.015 0.000 1.104 410 T CB 0.099 68.954 68.868 -0.022 0.000 0.925 410 T HN 2.190 nan 8.240 nan 0.000 0.498 411 G N 1.401 110.195 108.800 -0.009 0.000 2.189 411 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.267 411 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.267 411 G C 0.352 175.246 174.900 -0.011 0.000 0.975 411 G CA 1.011 46.106 45.100 -0.009 0.000 0.644 411 G HN 1.342 nan 8.290 nan 0.000 0.537 412 T N -3.260 111.284 114.554 -0.016 0.000 2.887 412 T HA 0.752 5.102 4.350 -0.001 0.000 0.292 412 T C -0.891 173.794 174.700 -0.024 0.000 1.087 412 T CA -0.305 61.785 62.100 -0.018 0.000 1.009 412 T CB 3.029 71.885 68.868 -0.020 0.000 1.203 412 T HN 0.936 nan 8.240 nan 0.000 0.518 413 V N 1.355 121.255 119.914 -0.024 0.000 2.577 413 V HA 0.541 4.660 4.120 -0.001 0.000 0.303 413 V C 0.275 176.350 176.094 -0.032 0.000 1.042 413 V CA -1.102 61.179 62.300 -0.032 0.000 0.872 413 V CB 1.722 33.530 31.823 -0.025 0.000 0.998 413 V HN 1.033 nan 8.190 nan 0.000 0.423 414 R N 2.903 123.381 120.500 -0.036 0.000 2.538 414 R HA 0.051 4.391 4.340 -0.001 0.000 0.282 414 R C -0.140 176.133 176.300 -0.044 0.000 1.009 414 R CA -0.111 55.968 56.100 -0.035 0.000 1.063 414 R CB 0.288 30.571 30.300 -0.028 0.000 0.945 414 R HN 0.682 nan 8.270 nan 0.000 0.414 415 D N 2.535 122.904 120.400 -0.052 0.000 2.378 415 D HA -0.061 4.579 4.640 -0.001 0.000 0.238 415 D C 0.808 177.046 176.300 -0.104 0.000 1.180 415 D CA 0.320 54.277 54.000 -0.071 0.000 0.895 415 D CB 0.530 41.287 40.800 -0.072 0.000 1.192 415 D HN 0.597 nan 8.370 nan 0.000 0.438 416 N N 0.504 119.120 118.700 -0.139 0.000 2.120 416 N HA -0.184 4.556 4.740 -0.001 0.000 0.188 416 N C 1.138 176.447 175.510 -0.335 0.000 1.024 416 N CA 0.992 53.923 53.050 -0.198 0.000 0.852 416 N CB 0.158 38.517 38.487 -0.214 0.000 1.003 416 N HN 0.387 nan 8.380 nan 0.000 0.424 417 E N 0.607 120.547 120.200 -0.435 0.000 2.028 417 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 417 E C 1.989 178.464 176.600 -0.208 0.000 0.988 417 E CA 0.748 56.809 56.400 -0.564 0.000 0.799 417 E CB -0.470 28.969 29.700 -0.436 0.000 0.755 417 E HN 0.112 nan 8.360 nan 0.000 0.447 418 S N 0.262 115.883 115.700 -0.131 0.000 2.368 418 S HA -0.218 4.252 4.470 -0.001 0.000 0.226 418 S C 1.880 176.444 174.600 -0.060 0.000 1.044 418 S CA 1.435 59.595 58.200 -0.066 0.000 1.062 418 S CB -0.351 62.816 63.200 -0.054 0.000 0.931 418 S HN 0.228 nan 8.310 nan 0.000 0.440 419 L N 1.539 122.716 121.223 -0.078 0.000 2.046 419 L HA 0.035 4.375 4.340 -0.001 0.000 0.208 419 L C 2.469 179.287 176.870 -0.087 0.000 1.077 419 L CA 2.210 57.011 54.840 -0.065 0.000 0.747 419 L CB -1.263 40.766 42.059 -0.050 0.000 0.896 419 L HN 0.303 nan 8.230 nan 0.000 0.432 420 S N -0.408 115.243 115.700 -0.082 0.000 2.356 420 S HA -0.156 4.313 4.470 -0.001 0.000 0.223 420 S C 1.920 176.532 174.600 0.019 0.000 1.032 420 S CA 1.713 59.909 58.200 -0.008 0.000 1.005 420 S CB -0.456 62.824 63.200 0.132 0.000 0.867 420 S HN 0.464 nan 8.310 nan 0.000 0.449 421 L N 0.988 122.235 121.223 0.039 0.000 2.141 421 L HA -0.062 4.277 4.340 -0.001 0.000 0.209 421 L C 2.660 179.524 176.870 -0.011 0.000 1.094 421 L CA 0.925 55.787 54.840 0.038 0.000 0.763 421 L CB -0.577 41.514 42.059 0.052 0.000 0.908 421 L HN 0.309 nan 8.230 nan 0.000 0.437 422 S N 0.535 116.214 115.700 -0.035 0.000 2.353 422 S HA -0.180 4.290 4.470 -0.001 0.000 0.222 422 S C 1.992 176.536 174.600 -0.093 0.000 1.035 422 S CA 1.410 59.582 58.200 -0.047 0.000 1.025 422 S CB -0.199 62.976 63.200 -0.041 0.000 0.902 422 S HN 0.310 nan 8.310 nan 0.000 0.440 423 I N 1.031 121.493 120.570 -0.181 0.000 2.179 423 I HA -0.145 4.025 4.170 -0.001 0.000 0.242 423 I C 2.370 178.409 176.117 -0.129 0.000 1.088 423 I CA 0.845 61.982 61.300 -0.272 0.000 1.357 423 I CB -0.412 37.338 38.000 -0.416 0.000 1.051 423 I HN 0.322 nan 8.210 nan 0.000 0.409 424 L N 1.242 122.422 121.223 -0.071 0.000 2.013 424 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 424 L C 2.639 179.494 176.870 -0.025 0.000 1.073 424 L CA 1.943 56.764 54.840 -0.032 0.000 0.753 424 L CB -0.604 41.452 42.059 -0.006 0.000 0.890 424 L HN 0.116 nan 8.230 nan 0.000 0.432 425 R N -1.188 119.298 120.500 -0.023 0.000 2.096 425 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 425 R C 2.137 178.430 176.300 -0.011 0.000 1.127 425 R CA 1.424 57.517 56.100 -0.012 0.000 0.968 425 R CB -0.651 29.645 30.300 -0.007 0.000 0.861 425 R HN 0.335 nan 8.270 nan 0.000 0.440 426 L N 1.136 122.346 121.223 -0.021 0.000 2.093 426 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 426 L C 1.913 178.782 176.870 -0.001 0.000 1.085 426 L CA 1.490 56.327 54.840 -0.005 0.000 0.755 426 L CB -0.224 41.834 42.059 -0.002 0.000 0.904 426 L HN 0.100 nan 8.230 nan 0.000 0.435 427 I N -0.324 120.238 120.570 -0.014 0.000 2.163 427 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 427 I C 2.526 178.644 176.117 0.002 0.000 1.085 427 I CA 1.815 63.114 61.300 -0.001 0.000 1.347 427 I CB -0.326 37.672 38.000 -0.004 0.000 1.044 427 I HN 0.425 nan 8.210 nan 0.000 0.408 428 E N 1.105 121.304 120.200 -0.001 0.000 2.077 428 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 428 E C 2.031 178.632 176.600 0.002 0.000 0.989 428 E CA 1.337 57.738 56.400 0.001 0.000 0.800 428 E CB 0.040 29.739 29.700 -0.001 0.000 0.746 428 E HN 0.438 nan 8.360 nan 0.000 0.452 429 E N 0.062 120.264 120.200 0.003 0.000 2.058 429 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 429 E C 2.127 178.730 176.600 0.004 0.000 0.997 429 E CA 1.211 57.614 56.400 0.004 0.000 0.801 429 E CB 0.041 29.745 29.700 0.007 0.000 0.746 429 E HN 0.259 nan 8.360 nan 0.000 0.450 430 E N 0.197 120.400 120.200 0.005 0.000 2.077 430 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 430 E C 1.993 178.591 176.600 -0.002 0.000 0.989 430 E CA 1.040 57.441 56.400 0.002 0.000 0.800 430 E CB -0.256 29.446 29.700 0.003 0.000 0.746 430 E HN 0.243 nan 8.360 nan 0.000 0.452 431 A N 0.648 123.469 122.820 0.001 0.000 2.125 431 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 431 A C 2.020 179.604 177.584 -0.000 0.000 1.156 431 A CA 0.781 52.818 52.037 0.001 0.000 0.671 431 A CB -0.192 18.811 19.000 0.005 0.000 0.794 431 A HN 0.106 nan 8.150 nan 0.000 0.459 432 L N -0.472 120.751 121.223 0.000 0.000 2.270 432 L HA 0.121 4.461 4.340 -0.001 0.000 0.210 432 L C 0.839 177.709 176.870 -0.001 0.000 1.104 432 L CA 0.936 55.776 54.840 0.000 0.000 0.804 432 L CB -0.644 41.416 42.059 0.001 0.000 0.937 432 L HN 0.266 nan 8.230 nan 0.000 0.450 433 K N 1.499 121.898 120.400 -0.002 0.000 2.448 433 K HA 0.207 4.526 4.320 -0.001 0.000 0.278 433 K C 0.617 177.215 176.600 -0.004 0.000 1.009 433 K CA 0.202 56.487 56.287 -0.003 0.000 0.995 433 K CB 0.122 32.619 32.500 -0.004 0.000 0.917 433 K HN 0.245 nan 8.250 nan 0.000 0.481 434 E N 2.081 122.279 120.200 -0.003 0.000 2.467 434 E HA -0.127 4.222 4.350 -0.001 0.000 0.264 434 E C 0.490 177.087 176.600 -0.005 0.000 1.020 434 E CA 0.366 56.764 56.400 -0.003 0.000 0.945 434 E CB -0.125 29.574 29.700 -0.002 0.000 0.942 434 E HN 0.793 nan 8.360 nan 0.000 0.449 435 N N -0.589 118.108 118.700 -0.005 0.000 2.878 435 N HA -0.149 4.591 4.740 -0.001 0.000 0.247 435 N C -0.231 175.273 175.510 -0.010 0.000 1.021 435 N CA 1.411 54.457 53.050 -0.006 0.000 0.873 435 N CB -1.559 36.924 38.487 -0.006 0.000 1.128 435 N HN 0.652 nan 8.380 nan 0.000 0.571 436 T N 0.168 114.716 114.554 -0.010 0.000 2.832 436 T HA 0.220 4.569 4.350 -0.001 0.000 0.296 436 T C 1.188 175.881 174.700 -0.013 0.000 0.968 436 T CA -0.035 62.055 62.100 -0.016 0.000 1.107 436 T CB 1.781 70.641 68.868 -0.014 0.000 0.916 436 T HN 0.237 nan 8.240 nan 0.000 0.517 437 Q N 2.353 122.141 119.800 -0.018 0.000 2.481 437 Q HA 0.192 4.531 4.340 -0.001 0.000 0.219 437 Q C -0.024 175.976 176.000 -0.001 0.000 0.920 437 Q CA 0.954 56.753 55.803 -0.007 0.000 0.915 437 Q CB 0.701 29.436 28.738 -0.005 0.000 1.057 437 Q HN 0.804 nan 8.270 nan 0.000 0.581 438 E N -0.872 119.313 120.200 -0.024 0.000 2.408 438 E HA 0.513 4.863 4.350 -0.001 0.000 0.275 438 E C -1.768 174.792 176.600 -0.067 0.000 0.935 438 E CA -0.956 55.442 56.400 -0.004 0.000 0.775 438 E CB 2.554 32.294 29.700 0.066 0.000 1.277 438 E HN -0.020 nan 8.360 nan 0.000 0.455 439 V N 1.071 120.989 119.914 0.007 0.000 2.487 439 V HA 0.398 4.517 4.120 -0.001 0.000 0.298 439 V C -1.519 174.660 176.094 0.142 0.000 1.028 439 V CA -0.343 61.950 62.300 -0.010 0.000 0.860 439 V CB 1.195 33.024 31.823 0.010 0.000 0.991 439 V HN 0.721 nan 8.190 nan 0.000 0.427 440 H N 5.506 124.590 119.070 0.024 0.000 2.504 440 H HA 0.747 5.303 4.556 -0.001 0.000 0.322 440 H C 0.105 175.458 175.328 0.042 0.000 1.055 440 H CA -0.278 55.796 56.048 0.045 0.000 1.231 440 H CB 1.896 31.704 29.762 0.076 0.000 1.417 440 H HN 0.965 nan 8.280 nan 0.000 0.472 441 A N 5.266 128.191 122.820 0.175 0.000 2.271 441 A HA 0.444 4.763 4.320 -0.001 0.000 0.317 441 A C -0.308 177.362 177.584 0.143 0.000 1.245 441 A CA -0.612 51.504 52.037 0.131 0.000 0.857 441 A CB 0.205 19.244 19.000 0.064 0.000 1.175 441 A HN 0.691 nan 8.150 nan 0.000 0.512 442 I N 4.034 124.720 120.570 0.193 0.000 2.362 442 I HA 0.534 4.703 4.170 -0.001 0.000 0.289 442 I C -0.336 175.912 176.117 0.219 0.000 0.994 442 I CA -0.727 60.691 61.300 0.196 0.000 1.158 442 I CB 1.553 39.686 38.000 0.222 0.000 1.315 442 I HN 0.557 nan 8.210 nan 0.000 0.451 443 V N 4.125 124.138 119.914 0.164 0.000 3.188 443 V HA 0.654 4.774 4.120 -0.001 0.000 0.305 443 V C -2.975 173.195 176.094 0.125 0.000 1.232 443 V CA -2.483 59.912 62.300 0.157 0.000 1.043 443 V CB 1.945 33.821 31.823 0.088 0.000 1.068 443 V HN 0.365 nan 8.190 nan 0.000 0.439 444 P HA 0.201 nan 4.420 nan 0.000 0.268 444 P C 1.100 178.444 177.300 0.073 0.000 1.208 444 P CA 0.187 63.344 63.100 0.095 0.000 0.777 444 P CB 0.756 32.510 31.700 0.091 0.000 0.875 445 V N 4.473 124.425 119.914 0.063 0.000 2.252 445 V HA -0.189 3.930 4.120 -0.001 0.000 0.249 445 V C -0.562 175.564 176.094 0.054 0.000 1.056 445 V CA 2.663 64.995 62.300 0.054 0.000 1.022 445 V CB -2.172 29.677 31.823 0.043 0.000 0.641 445 V HN 0.743 nan 8.190 nan 0.000 0.445 446 P HA -0.101 nan 4.420 nan 0.000 0.219 446 P C 1.795 179.136 177.300 0.067 0.000 1.150 446 P CA 1.319 64.449 63.100 0.050 0.000 0.814 446 P CB -0.106 31.610 31.700 0.027 0.000 0.787 447 I N 0.769 121.371 120.570 0.053 0.000 2.163 447 I HA -0.205 3.965 4.170 -0.001 0.000 0.243 447 I C 2.539 178.711 176.117 0.092 0.000 1.085 447 I CA 1.419 62.755 61.300 0.061 0.000 1.347 447 I CB -2.047 35.973 38.000 0.033 0.000 1.044 447 I HN -0.060 nan 8.210 nan 0.000 0.408 448 A N 0.032 122.896 122.820 0.074 0.000 1.883 448 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 448 A C 2.644 180.272 177.584 0.072 0.000 1.186 448 A CA 2.358 54.435 52.037 0.067 0.000 0.624 448 A CB -1.022 18.015 19.000 0.060 0.000 0.822 448 A HN 0.429 nan 8.150 nan 0.000 0.444 449 S N -2.091 113.658 115.700 0.081 0.000 2.359 449 S HA -0.227 4.243 4.470 -0.001 0.000 0.224 449 S C 1.908 176.567 174.600 0.098 0.000 1.035 449 S CA 1.872 60.119 58.200 0.078 0.000 1.018 449 S CB -0.525 62.724 63.200 0.081 0.000 0.876 449 S HN 0.657 nan 8.310 nan 0.000 0.448 450 Y N 1.604 121.904 120.300 -0.000 0.000 2.163 450 Y HA 0.055 4.605 4.550 -0.001 0.000 0.288 450 Y C 2.000 177.895 175.900 -0.008 0.000 1.136 450 Y CA 1.540 59.638 58.100 -0.005 0.000 1.147 450 Y CB -0.372 38.083 38.460 -0.008 0.000 0.987 450 Y HN 0.232 nan 8.280 nan 0.000 0.509 451 L N -0.519 120.761 121.223 0.095 0.000 2.083 451 L HA -0.226 4.114 4.340 -0.001 0.000 0.209 451 L C 1.891 178.731 176.870 -0.049 0.000 1.083 451 L CA 1.236 56.078 54.840 0.004 0.000 0.752 451 L CB -0.444 41.638 42.059 0.037 0.000 0.899 451 L HN 0.252 nan 8.230 nan 0.000 0.433 452 L N -0.942 120.268 121.223 -0.021 0.000 2.592 452 L HA 0.075 4.415 4.340 -0.001 0.000 0.227 452 L C 1.358 178.204 176.870 -0.041 0.000 1.127 452 L CA -0.098 54.729 54.840 -0.022 0.000 0.884 452 L CB -0.196 41.866 42.059 0.004 0.000 1.065 452 L HN 0.327 nan 8.230 nan 0.000 0.457 453 N N -0.663 117.991 118.700 -0.077 0.000 3.420 453 N HA 0.006 4.745 4.740 -0.001 0.000 0.211 453 N C 1.270 176.686 175.510 -0.157 0.000 1.201 453 N CA 0.053 53.051 53.050 -0.087 0.000 1.134 453 N CB 0.092 38.547 38.487 -0.054 0.000 1.366 453 N HN -0.081 nan 8.380 nan 0.000 0.606 454 E N 1.413 121.455 120.200 -0.263 0.000 2.169 454 E HA -0.130 4.220 4.350 -0.001 0.000 0.202 454 E C 0.546 176.926 176.600 -0.368 0.000 1.016 454 E CA 1.456 57.615 56.400 -0.402 0.000 0.817 454 E CB 0.105 29.291 29.700 -0.857 0.000 0.736 454 E HN 0.096 nan 8.360 nan 0.000 0.462 455 K N -0.110 120.082 120.400 -0.346 0.000 2.498 455 K HA 0.177 4.497 4.320 -0.001 0.000 0.207 455 K C 1.142 177.674 176.600 -0.113 0.000 1.033 455 K CA -0.048 56.114 56.287 -0.207 0.000 1.138 455 K CB 0.404 32.802 32.500 -0.169 0.000 0.860 455 K HN 0.041 nan 8.250 nan 0.000 0.490 456 R N 0.448 120.887 120.500 -0.101 0.000 2.096 456 R HA -0.062 4.277 4.340 -0.001 0.000 0.235 456 R C 1.524 177.797 176.300 -0.045 0.000 1.127 456 R CA 1.579 57.643 56.100 -0.060 0.000 0.968 456 R CB 0.173 30.444 30.300 -0.050 0.000 0.861 456 R HN -0.022 nan 8.270 nan 0.000 0.440 457 S N 0.494 116.164 115.700 -0.049 0.000 2.353 457 S HA -0.176 4.293 4.470 -0.001 0.000 0.222 457 S C 1.975 176.558 174.600 -0.030 0.000 1.035 457 S CA 1.303 59.481 58.200 -0.035 0.000 1.025 457 S CB -0.316 62.862 63.200 -0.036 0.000 0.902 457 S HN 0.582 nan 8.310 nan 0.000 0.440 458 A N 1.343 124.142 122.820 -0.036 0.000 1.859 458 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 458 A C 2.359 179.932 177.584 -0.019 0.000 1.198 458 A CA 1.994 54.016 52.037 -0.026 0.000 0.629 458 A CB -1.268 17.715 19.000 -0.028 0.000 0.830 458 A HN 0.332 nan 8.150 nan 0.000 0.446 459 V N 1.046 120.947 119.914 -0.022 0.000 2.278 459 V HA -0.352 3.768 4.120 -0.001 0.000 0.251 459 V C 2.422 178.512 176.094 -0.008 0.000 1.062 459 V CA 2.363 64.656 62.300 -0.012 0.000 1.038 459 V CB -1.147 30.669 31.823 -0.011 0.000 0.646 459 V HN 0.576 nan 8.190 nan 0.000 0.447 460 N N 0.353 119.046 118.700 -0.012 0.000 2.043 460 N HA -0.179 4.561 4.740 -0.001 0.000 0.193 460 N C 1.936 177.442 175.510 -0.006 0.000 1.037 460 N CA 1.931 54.977 53.050 -0.008 0.000 0.851 460 N CB -0.684 37.797 38.487 -0.011 0.000 1.027 460 N HN 0.509 nan 8.380 nan 0.000 0.422 461 A N 1.318 124.133 122.820 -0.008 0.000 1.892 461 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 461 A C 2.416 179.998 177.584 -0.003 0.000 1.188 461 A CA 1.216 53.249 52.037 -0.006 0.000 0.631 461 A CB -0.859 18.136 19.000 -0.008 0.000 0.822 461 A HN 0.273 nan 8.150 nan 0.000 0.447 462 I N -0.446 120.122 120.570 -0.003 0.000 2.151 462 I HA -0.319 3.851 4.170 -0.001 0.000 0.243 462 I C 2.517 178.636 176.117 0.003 0.000 1.080 462 I CA 1.965 63.265 61.300 0.000 0.000 1.339 462 I CB -0.429 37.572 38.000 0.001 0.000 1.039 462 I HN 0.446 nan 8.210 nan 0.000 0.409 463 E N -0.473 119.730 120.200 0.004 0.000 2.204 463 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 463 E C 2.142 178.745 176.600 0.004 0.000 0.990 463 E CA 1.715 58.119 56.400 0.006 0.000 0.821 463 E CB -0.095 29.610 29.700 0.008 0.000 0.750 463 E HN 0.549 nan 8.360 nan 0.000 0.477 464 T N -0.182 114.373 114.554 0.002 0.000 2.901 464 T HA -0.040 4.309 4.350 -0.001 0.000 0.252 464 T C 1.868 176.569 174.700 0.001 0.000 1.035 464 T CA 0.524 62.625 62.100 0.001 0.000 1.142 464 T CB 0.091 68.958 68.868 -0.000 0.000 0.869 464 T HN -0.015 nan 8.240 nan 0.000 0.442 465 R N 0.568 121.068 120.500 0.000 0.000 2.094 465 R HA -0.012 4.328 4.340 -0.001 0.000 0.239 465 R C 1.051 177.351 176.300 0.001 0.000 1.137 465 R CA 1.281 57.381 56.100 0.000 0.000 0.943 465 R CB -0.214 30.086 30.300 -0.000 0.000 0.850 465 R HN 0.413 nan 8.270 nan 0.000 0.433 466 Q N 1.928 121.729 119.800 0.002 0.000 3.254 466 Q HA 0.061 4.401 4.340 -0.001 0.000 0.315 466 Q C -0.930 175.072 176.000 0.004 0.000 1.405 466 Q CA -0.047 55.758 55.803 0.003 0.000 0.966 466 Q CB -0.407 28.334 28.738 0.004 0.000 1.706 466 Q HN 0.127 nan 8.270 nan 0.000 0.525 467 D N 0.460 120.862 120.400 0.003 0.000 2.648 467 D HA 0.015 4.655 4.640 -0.001 0.000 0.229 467 D C 1.271 177.573 176.300 0.005 0.000 1.119 467 D CA 1.964 55.966 54.000 0.004 0.000 0.850 467 D CB 0.315 41.116 40.800 0.003 0.000 1.169 467 D HN 0.650 nan 8.370 nan 0.000 0.489 468 G N 1.997 110.801 108.800 0.007 0.000 2.176 468 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.253 468 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.253 468 G C 0.223 175.129 174.900 0.011 0.000 0.979 468 G CA 0.251 45.356 45.100 0.008 0.000 0.641 468 G HN 0.638 nan 8.290 nan 0.000 0.530 469 V N 2.881 122.802 119.914 0.011 0.000 2.364 469 V HA 0.494 4.614 4.120 -0.001 0.000 0.272 469 V C 0.649 176.757 176.094 0.024 0.000 1.036 469 V CA -0.991 61.318 62.300 0.015 0.000 0.880 469 V CB 1.365 33.194 31.823 0.010 0.000 0.991 469 V HN 0.287 nan 8.190 nan 0.000 0.460 470 R N 2.953 123.474 120.500 0.036 0.000 2.267 470 R HA 0.316 4.656 4.340 -0.001 0.000 0.319 470 R C -0.773 175.568 176.300 0.069 0.000 1.067 470 R CA -0.228 55.903 56.100 0.051 0.000 0.936 470 R CB 0.936 31.277 30.300 0.068 0.000 1.006 470 R HN 0.654 nan 8.270 nan 0.000 0.452 471 C N 4.077 123.411 119.300 0.057 0.000 2.223 471 C HA 0.321 4.781 4.460 -0.001 0.000 0.324 471 C C 0.501 175.534 174.990 0.072 0.000 1.196 471 C CA -0.817 58.241 59.018 0.067 0.000 1.628 471 C CB 0.169 27.933 27.740 0.040 0.000 2.229 471 C HN 0.425 nan 8.230 nan 0.000 0.486 472 V N 5.866 125.848 119.914 0.113 0.000 2.370 472 V HA 0.439 4.558 4.120 -0.001 0.000 0.279 472 V C 0.057 176.188 176.094 0.061 0.000 1.029 472 V CA -0.115 62.221 62.300 0.061 0.000 0.870 472 V CB 1.088 32.908 31.823 -0.004 0.000 0.984 472 V HN 0.700 nan 8.190 nan 0.000 0.451 473 I N 5.835 126.430 120.570 0.041 0.000 2.411 473 I HA 0.451 4.621 4.170 -0.001 0.000 0.284 473 I C -0.481 175.664 176.117 0.047 0.000 1.012 473 I CA -0.653 60.676 61.300 0.048 0.000 1.119 473 I CB 1.893 39.915 38.000 0.037 0.000 1.261 473 I HN 0.478 nan 8.210 nan 0.000 0.448 474 V N 8.376 128.325 119.914 0.059 0.000 2.417 474 V HA 0.665 4.785 4.120 -0.001 0.000 0.291 474 V C -2.454 173.687 176.094 0.079 0.000 1.024 474 V CA -2.124 60.215 62.300 0.064 0.000 0.861 474 V CB 2.031 33.889 31.823 0.057 0.000 0.985 474 V HN 0.451 nan 8.190 nan 0.000 0.436 475 P HA 0.262 nan 4.420 nan 0.000 0.276 475 P C -1.232 176.114 177.300 0.077 0.000 1.230 475 P CA -0.029 63.114 63.100 0.072 0.000 0.776 475 P CB 0.813 32.547 31.700 0.058 0.000 0.888 476 N N 2.540 121.289 118.700 0.081 0.000 2.540 476 N HA 0.073 4.813 4.740 -0.001 0.000 0.275 476 N C 0.297 175.848 175.510 0.068 0.000 1.053 476 N CA -0.578 52.520 53.050 0.080 0.000 0.876 476 N CB 0.551 39.099 38.487 0.101 0.000 1.284 476 N HN 0.208 nan 8.380 nan 0.000 0.518 477 D N 1.860 122.291 120.400 0.051 0.000 2.378 477 D HA -0.120 4.520 4.640 -0.001 0.000 0.222 477 D C 0.530 176.854 176.300 0.040 0.000 0.980 477 D CA 1.003 55.027 54.000 0.041 0.000 0.907 477 D CB 0.275 41.091 40.800 0.027 0.000 0.899 477 D HN 0.390 nan 8.370 nan 0.000 0.527 478 Q N -0.630 119.197 119.800 0.045 0.000 2.403 478 Q HA 0.253 4.592 4.340 -0.001 0.000 0.203 478 Q C 0.254 176.278 176.000 0.041 0.000 0.932 478 Q CA 0.273 56.097 55.803 0.036 0.000 0.945 478 Q CB 0.184 28.942 28.738 0.032 0.000 1.045 478 Q HN 0.475 nan 8.270 nan 0.000 0.511 479 M N 0.794 120.432 119.600 0.064 0.000 2.508 479 M HA 0.297 4.777 4.480 -0.001 0.000 0.327 479 M C -0.212 176.144 176.300 0.093 0.000 1.160 479 M CA -0.427 54.923 55.300 0.083 0.000 0.980 479 M CB 2.222 34.897 32.600 0.126 0.000 1.693 479 M HN -0.083 nan 8.290 nan 0.000 0.452 480 E N -0.364 119.908 120.200 0.121 0.000 2.359 480 E HA 0.491 4.841 4.350 -0.001 0.000 0.266 480 E C -0.858 175.827 176.600 0.141 0.000 0.920 480 E CA -1.110 55.358 56.400 0.113 0.000 0.788 480 E CB 1.615 31.368 29.700 0.088 0.000 1.279 480 E HN 0.576 nan 8.360 nan 0.000 0.438 481 T N 0.270 114.873 114.554 0.082 0.000 2.863 481 T HA 0.269 4.619 4.350 -0.001 0.000 0.299 481 T C -2.006 172.693 174.700 -0.002 0.000 0.973 481 T CA -1.249 60.883 62.100 0.054 0.000 0.994 481 T CB 0.460 69.344 68.868 0.027 0.000 0.961 481 T HN 0.343 nan 8.240 nan 0.000 0.552 482 P HA 0.217 nan 4.420 nan 0.000 0.306 482 P C -0.036 177.204 177.300 -0.101 0.000 1.274 482 P CA -0.228 62.796 63.100 -0.126 0.000 0.988 482 P CB 0.577 32.123 31.700 -0.257 0.000 1.520 483 H N 1.400 120.483 119.070 0.023 0.000 2.629 483 H HA 0.343 4.899 4.556 -0.001 0.000 0.357 483 H C -0.054 175.293 175.328 0.032 0.000 1.121 483 H CA 0.819 56.822 56.048 -0.074 0.000 1.406 483 H CB 0.594 30.318 29.762 -0.064 0.000 1.456 483 H HN 0.141 nan 8.280 nan 0.000 0.579 484 Y N -1.400 118.877 120.300 -0.037 0.000 2.765 484 Y HA 0.374 4.924 4.550 -0.001 0.000 0.350 484 Y C -1.976 173.755 175.900 -0.282 0.000 1.196 484 Y CA -1.106 56.957 58.100 -0.062 0.000 1.119 484 Y CB 0.728 39.181 38.460 -0.013 0.000 1.368 484 Y HN 0.594 nan 8.280 nan 0.000 0.463 485 H N 0.237 119.510 119.070 0.337 0.000 2.679 485 H HA 0.784 5.339 4.556 -0.001 0.000 0.360 485 H C -1.495 173.982 175.328 0.249 0.000 1.105 485 H CA -1.067 55.107 56.048 0.210 0.000 1.196 485 H CB 2.491 32.296 29.762 0.072 0.000 1.636 485 H HN 0.671 nan 8.280 nan 0.000 0.531 486 V N 4.658 124.761 119.914 0.315 0.000 2.325 486 V HA 0.244 4.363 4.120 -0.001 0.000 0.280 486 V C -0.935 175.213 176.094 0.090 0.000 1.016 486 V CA -0.638 61.770 62.300 0.181 0.000 0.818 486 V CB 0.566 32.482 31.823 0.155 0.000 1.019 486 V HN 0.414 nan 8.190 nan 0.000 0.434 487 L N 4.667 125.899 121.223 0.014 0.000 2.322 487 L HA 0.634 4.974 4.340 -0.001 0.000 0.279 487 L C 0.210 177.005 176.870 -0.126 0.000 1.036 487 L CA -0.203 54.577 54.840 -0.100 0.000 0.807 487 L CB 1.175 43.053 42.059 -0.302 0.000 1.226 487 L HN 0.543 nan 8.230 nan 0.000 0.433 488 R N 1.456 121.887 120.500 -0.115 0.000 2.532 488 R HA 0.792 5.131 4.340 -0.001 0.000 0.295 488 R C -1.611 174.599 176.300 -0.150 0.000 0.968 488 R CA -0.596 55.436 56.100 -0.114 0.000 0.916 488 R CB 1.542 31.807 30.300 -0.057 0.000 1.124 488 R HN 0.466 nan 8.270 nan 0.000 0.463 489 V N 5.240 125.050 119.914 -0.174 0.000 2.378 489 V HA 0.414 4.534 4.120 -0.001 0.000 0.288 489 V C 0.089 176.137 176.094 -0.076 0.000 1.016 489 V CA -0.866 61.345 62.300 -0.150 0.000 0.840 489 V CB 1.380 33.059 31.823 -0.240 0.000 0.994 489 V HN 0.820 nan 8.190 nan 0.000 0.431 490 R N 2.648 123.120 120.500 -0.047 0.000 2.679 490 R HA 0.366 4.705 4.340 -0.001 0.000 0.269 490 R C 0.030 176.320 176.300 -0.018 0.000 1.076 490 R CA -0.690 55.394 56.100 -0.027 0.000 1.160 490 R CB 0.862 31.151 30.300 -0.019 0.000 1.054 490 R HN 0.557 nan 8.270 nan 0.000 0.507 491 K N 0.650 121.044 120.400 -0.011 0.000 2.489 491 K HA -0.029 4.290 4.320 -0.001 0.000 0.278 491 K C 1.004 177.602 176.600 -0.003 0.000 1.000 491 K CA 1.124 57.408 56.287 -0.005 0.000 1.012 491 K CB 0.383 32.880 32.500 -0.003 0.000 0.903 491 K HN 0.892 nan 8.250 nan 0.000 0.485 492 G N 2.184 110.984 108.800 0.000 0.000 2.284 492 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.247 492 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.247 492 G C 0.533 175.435 174.900 0.003 0.000 1.012 492 G CA 0.553 45.654 45.100 0.001 0.000 0.618 492 G HN 0.791 nan 8.290 nan 0.000 0.521 493 E N 1.185 121.386 120.200 0.002 0.000 2.465 493 E HA 0.284 4.634 4.350 -0.001 0.000 0.195 493 E C 0.646 177.256 176.600 0.015 0.000 1.028 493 E CA 0.114 56.517 56.400 0.006 0.000 0.899 493 E CB 0.042 29.744 29.700 0.003 0.000 1.032 493 E HN 0.623 nan 8.360 nan 0.000 0.468 494 E N 1.781 121.992 120.200 0.019 0.000 2.349 494 E HA 0.146 4.496 4.350 -0.001 0.000 0.262 494 E C 0.091 176.711 176.600 0.034 0.000 1.088 494 E CA -0.291 56.133 56.400 0.040 0.000 0.899 494 E CB 1.192 30.920 29.700 0.046 0.000 1.044 494 E HN 0.120 nan 8.360 nan 0.000 0.420 495 T N -2.344 112.236 114.554 0.044 0.000 2.905 495 T HA 0.546 4.896 4.350 -0.001 0.000 0.283 495 T C -2.142 172.559 174.700 0.002 0.000 1.031 495 T CA -1.604 60.504 62.100 0.013 0.000 1.002 495 T CB 1.229 70.095 68.868 -0.005 0.000 1.200 495 T HN 0.407 nan 8.240 nan 0.000 0.560 496 P HA 0.303 nan 4.420 nan 0.000 0.231 496 P C -0.361 176.903 177.300 -0.060 0.000 1.833 496 P CA -0.362 62.721 63.100 -0.030 0.000 1.023 496 P CB -0.521 31.163 31.700 -0.026 0.000 1.643 497 T N 1.158 115.668 114.554 -0.073 0.000 2.907 497 T HA 0.224 4.574 4.350 -0.001 0.000 0.298 497 T C 0.633 175.221 174.700 -0.186 0.000 1.017 497 T CA -0.106 61.918 62.100 -0.126 0.000 1.118 497 T CB 0.571 69.359 68.868 -0.134 0.000 0.948 497 T HN 0.056 nan 8.240 nan 0.000 0.531 498 L N 2.841 123.901 121.223 -0.271 0.000 2.456 498 L HA 0.079 4.418 4.340 -0.001 0.000 0.272 498 L C 2.159 178.755 176.870 -0.458 0.000 1.189 498 L CA -0.362 54.222 54.840 -0.426 0.000 0.846 498 L CB 0.675 42.301 42.059 -0.722 0.000 1.111 498 L HN 0.918 nan 8.230 nan 0.000 0.475 499 S N 2.429 117.913 115.700 -0.359 0.000 2.380 499 S HA -0.295 4.175 4.470 -0.001 0.000 0.229 499 S C 1.516 176.017 174.600 -0.165 0.000 1.043 499 S CA 1.973 60.044 58.200 -0.216 0.000 1.038 499 S CB -0.652 62.499 63.200 -0.081 0.000 0.872 499 S HN 0.737 nan 8.310 nan 0.000 0.456 500 Y N -1.199 119.077 120.300 -0.041 0.000 2.482 500 Y HA 0.579 5.129 4.550 -0.001 0.000 0.270 500 Y C 1.596 177.480 175.900 -0.027 0.000 1.152 500 Y CA -0.515 57.570 58.100 -0.025 0.000 1.292 500 Y CB -0.254 38.197 38.460 -0.015 0.000 1.070 500 Y HN 0.119 nan 8.280 nan 0.000 0.528 501 M N 0.913 120.402 119.600 -0.185 0.000 2.571 501 M HA 0.235 4.714 4.480 -0.001 0.000 0.235 501 M C 0.929 177.163 176.300 -0.110 0.000 1.216 501 M CA -0.054 55.197 55.300 -0.081 0.000 0.979 501 M CB -0.509 32.001 32.600 -0.151 0.000 1.616 501 M HN 0.535 nan 8.290 nan 0.000 0.469 502 L N -0.113 121.052 121.223 -0.096 0.000 2.269 502 L HA 0.059 4.398 4.340 -0.001 0.000 0.200 502 L C -0.604 176.241 176.870 -0.043 0.000 1.069 502 L CA 0.655 55.418 54.840 -0.129 0.000 0.804 502 L CB -1.110 40.863 42.059 -0.144 0.000 0.987 502 L HN 0.129 nan 8.230 nan 0.000 0.468 503 P HA -0.274 nan 4.420 nan 0.000 0.217 503 P C 1.663 178.984 177.300 0.034 0.000 1.162 503 P CA 1.585 64.734 63.100 0.081 0.000 0.901 503 P CB -0.044 31.702 31.700 0.077 0.000 0.793 504 K N -0.640 119.760 120.400 0.001 0.000 2.057 504 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 504 K C 2.108 178.677 176.600 -0.051 0.000 1.049 504 K CA 1.206 57.485 56.287 -0.014 0.000 0.931 504 K CB -1.522 30.972 32.500 -0.009 0.000 0.714 504 K HN 0.022 nan 8.250 nan 0.000 0.440 505 L N 0.841 121.992 121.223 -0.120 0.000 2.043 505 L HA -0.127 4.213 4.340 -0.001 0.000 0.212 505 L C 2.212 178.972 176.870 -0.184 0.000 1.075 505 L CA 2.147 56.865 54.840 -0.204 0.000 0.752 505 L CB -0.667 41.176 42.059 -0.360 0.000 0.891 505 L HN 0.489 nan 8.230 nan 0.000 0.432 506 H N -1.496 117.567 119.070 -0.012 0.000 2.539 506 H HA 0.046 4.601 4.556 -0.001 0.000 0.267 506 H C 2.081 177.367 175.328 -0.070 0.000 0.982 506 H CA 0.788 56.818 56.048 -0.031 0.000 1.146 506 H CB 0.038 29.786 29.762 -0.023 0.000 1.382 506 H HN 0.382 nan 8.280 nan 0.000 0.577 507 E N 1.157 121.378 120.200 0.034 0.000 2.114 507 E HA -0.244 4.105 4.350 -0.001 0.000 0.199 507 E C 2.232 178.825 176.600 -0.011 0.000 1.008 507 E CA 1.486 57.883 56.400 -0.005 0.000 0.810 507 E CB -0.171 29.525 29.700 -0.007 0.000 0.739 507 E HN 0.903 nan 8.360 nan 0.000 0.456 508 E N -0.905 119.295 120.200 0.000 0.000 2.533 508 E HA 0.268 4.618 4.350 -0.001 0.000 0.201 508 E C 1.545 178.147 176.600 0.004 0.000 1.097 508 E CA 1.121 57.521 56.400 -0.000 0.000 0.887 508 E CB -0.744 28.957 29.700 0.001 0.000 0.855 508 E HN 0.585 nan 8.360 nan 0.000 0.540 509 A N 0.109 122.928 122.820 -0.001 0.000 1.972 509 A HA 0.594 4.914 4.320 -0.001 0.000 0.219 509 A C 1.579 179.127 177.584 -0.061 0.000 1.467 509 A CA 1.151 53.167 52.037 -0.035 0.000 0.631 509 A CB 0.064 19.056 19.000 -0.012 0.000 1.143 509 A HN 0.661 nan 8.150 nan 0.000 0.502 510 M N 0.000 119.523 119.600 -0.128 0.000 2.572 510 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 510 M CA 0.000 55.096 55.300 -0.340 0.000 0.988 510 M CB 0.000 32.290 32.600 -0.517 0.000 1.302 510 M HN 0.000 nan 8.290 nan 0.000 0.411