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 1m0o_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.880 176.870 0.017 0.000 1.165 3 L CA 0.000 54.846 54.840 0.009 0.000 0.813 3 L CB 0.000 42.070 42.059 0.018 0.000 0.961 4 N N 0.542 119.263 118.700 0.034 0.000 2.515 4 N HA -0.020 4.721 4.740 0.001 0.000 0.185 4 N C 0.235 175.873 175.510 0.214 0.000 1.109 4 N CA 0.629 53.725 53.050 0.078 0.000 0.903 4 N CB 0.271 38.801 38.487 0.073 0.000 0.969 4 N HN 0.508 nan 8.380 nan 0.000 0.450 5 D N 0.537 121.023 120.400 0.144 0.000 2.363 5 D HA -0.092 4.548 4.640 0.001 0.000 0.220 5 D C 0.088 176.577 176.300 0.316 0.000 0.994 5 D CA 0.201 54.315 54.000 0.190 0.000 0.890 5 D CB -0.154 40.690 40.800 0.073 0.000 0.906 5 D HN 0.140 nan 8.370 nan 0.000 0.530 6 D N 1.282 121.822 120.400 0.234 0.000 4.265 6 D HA -0.157 4.483 4.640 0.001 0.000 0.234 6 D C 1.194 177.689 176.300 0.325 0.000 1.386 6 D CA 0.067 54.183 54.000 0.194 0.000 0.885 6 D CB 0.440 41.284 40.800 0.073 0.000 1.239 6 D HN 0.096 nan 8.370 nan 0.000 0.681 7 A N 3.574 126.535 122.820 0.236 0.000 1.969 7 A HA -0.143 4.178 4.320 0.001 0.000 0.218 7 A C 2.253 179.926 177.584 0.149 0.000 1.169 7 A CA 1.523 53.692 52.037 0.219 0.000 0.635 7 A CB -0.087 18.993 19.000 0.134 0.000 0.810 7 A HN 0.597 nan 8.150 nan 0.000 0.445 8 T N -0.988 113.628 114.554 0.104 0.000 2.812 8 T HA -0.069 4.281 4.350 0.001 0.000 0.264 8 T C 1.567 176.261 174.700 -0.009 0.000 1.042 8 T CA 1.430 63.555 62.100 0.041 0.000 1.140 8 T CB -0.351 68.541 68.868 0.040 0.000 0.870 8 T HN 0.517 nan 8.240 nan 0.000 0.445 9 F N 0.477 120.337 119.950 -0.150 0.000 2.075 9 F HA -0.099 4.429 4.527 0.001 0.000 0.297 9 F C 1.694 177.216 175.800 -0.463 0.000 1.113 9 F CA 1.246 59.038 58.000 -0.348 0.000 1.218 9 F CB -0.530 38.177 39.000 -0.488 0.000 0.984 9 F HN 0.220 nan 8.300 nan 0.000 0.472 10 W N 0.607 122.026 121.300 0.197 0.000 2.425 10 W HA -0.007 4.654 4.660 0.001 0.000 0.277 10 W C 2.734 179.163 176.519 -0.149 0.000 1.231 10 W CA 1.163 58.533 57.345 0.043 0.000 1.248 10 W CB -0.497 29.041 29.460 0.131 0.000 1.117 10 W HN -0.054 nan 8.180 nan 0.000 0.568 11 R N 0.792 121.270 120.500 -0.037 0.000 2.070 11 R HA -0.167 4.173 4.340 0.001 0.000 0.233 11 R C 1.893 177.900 176.300 -0.489 0.000 1.137 11 R CA 1.825 57.761 56.100 -0.273 0.000 0.945 11 R CB -0.549 29.621 30.300 -0.216 0.000 0.845 11 R HN 0.076 nan 8.270 nan 0.000 0.430 12 N N 0.557 119.059 118.700 -0.329 0.000 2.166 12 N HA -0.142 4.598 4.740 0.001 0.000 0.186 12 N C 1.554 176.918 175.510 -0.243 0.000 1.019 12 N CA 1.404 54.321 53.050 -0.222 0.000 0.856 12 N CB -0.327 38.083 38.487 -0.128 0.000 0.993 12 N HN 0.329 nan 8.380 nan 0.000 0.426 13 A N 1.213 123.793 122.820 -0.400 0.000 1.877 13 A HA -0.103 4.218 4.320 0.001 0.000 0.216 13 A C 2.306 179.828 177.584 -0.104 0.000 1.186 13 A CA 1.163 52.989 52.037 -0.352 0.000 0.620 13 A CB -0.440 18.249 19.000 -0.518 0.000 0.822 13 A HN 0.184 nan 8.150 nan 0.000 0.443 14 R N -1.481 118.979 120.500 -0.067 0.000 2.092 14 R HA -0.114 4.226 4.340 0.001 0.000 0.231 14 R C 2.047 178.362 176.300 0.025 0.000 1.119 14 R CA 1.696 57.806 56.100 0.017 0.000 0.970 14 R CB -0.353 29.954 30.300 0.013 0.000 0.864 14 R HN 0.808 nan 8.270 nan 0.000 0.440 15 H N -2.144 116.801 119.070 -0.209 0.000 2.436 15 H HA -0.003 4.554 4.556 0.001 0.000 0.294 15 H C 0.988 176.047 175.328 -0.449 0.000 1.048 15 H CA 0.589 56.382 56.048 -0.426 0.000 1.353 15 H CB 0.353 29.616 29.762 -0.831 0.000 1.414 15 H HN 0.276 nan 8.280 nan 0.000 0.536 16 H N -0.646 118.488 119.070 0.106 0.000 2.784 16 H HA 0.263 4.820 4.556 0.001 0.000 0.273 16 H C -0.101 175.250 175.328 0.038 0.000 1.112 16 H CA 0.062 56.141 56.048 0.051 0.000 1.162 16 H CB 0.950 30.719 29.762 0.011 0.000 1.586 16 H HN 0.146 nan 8.280 nan 0.000 0.548 17 L N 1.154 122.465 121.223 0.147 0.000 2.325 17 L HA 0.358 4.699 4.340 0.001 0.000 0.278 17 L C 0.086 177.086 176.870 0.217 0.000 1.023 17 L CA -1.003 53.937 54.840 0.168 0.000 0.811 17 L CB 2.677 44.820 42.059 0.140 0.000 1.249 17 L HN -0.217 nan 8.230 nan 0.000 0.431 18 V N 3.022 123.083 119.914 0.245 0.000 2.530 18 V HA 0.236 4.357 4.120 0.001 0.000 0.282 18 V C 0.419 176.717 176.094 0.340 0.000 1.048 18 V CA -0.407 62.040 62.300 0.244 0.000 0.997 18 V CB 1.146 33.105 31.823 0.226 0.000 0.987 18 V HN 0.663 nan 8.190 nan 0.000 0.477 19 R N 3.850 124.464 120.500 0.189 0.000 2.390 19 R HA 0.311 4.652 4.340 0.001 0.000 0.291 19 R C -0.294 176.015 176.300 0.015 0.000 1.070 19 R CA -0.082 56.002 56.100 -0.026 0.000 1.014 19 R CB 0.467 30.705 30.300 -0.104 0.000 1.007 19 R HN 0.865 nan 8.270 nan 0.000 0.466 20 Y N -1.225 119.065 120.300 -0.017 0.000 2.768 20 Y HA 0.525 5.076 4.550 0.001 0.000 0.249 20 Y C 0.086 175.984 175.900 -0.005 0.000 1.146 20 Y CA -0.595 57.515 58.100 0.017 0.000 1.171 20 Y CB 0.710 39.212 38.460 0.069 0.000 1.249 20 Y HN 0.710 nan 8.280 nan 0.000 0.567 21 G N -0.386 108.299 108.800 -0.191 0.000 2.521 21 G HA2 0.471 4.431 3.960 0.001 0.000 0.589 21 G HA3 0.471 4.431 3.960 0.001 0.000 0.589 21 G C -0.057 174.684 174.900 -0.264 0.000 1.501 21 G CA -0.303 44.729 45.100 -0.114 0.000 0.887 21 G HN 1.412 nan 8.290 nan 0.000 0.654 22 G N -0.337 108.345 108.800 -0.197 0.000 2.562 22 G HA2 0.420 4.381 3.960 0.001 0.000 0.250 22 G HA3 0.420 4.381 3.960 0.001 0.000 0.250 22 G C 0.372 175.077 174.900 -0.326 0.000 1.269 22 G CA 0.971 45.945 45.100 -0.210 0.000 0.919 22 G HN 2.712 nan 8.290 nan 0.000 0.574 23 T N -1.035 113.336 114.554 -0.305 0.000 2.933 23 T HA 0.602 4.952 4.350 0.001 0.000 0.305 23 T C -0.793 173.765 174.700 -0.237 0.000 1.092 23 T CA -0.454 61.452 62.100 -0.323 0.000 1.008 23 T CB 0.777 69.555 68.868 -0.151 0.000 1.102 23 T HN 0.905 nan 8.240 nan 0.000 0.469 24 F N 3.156 123.107 119.950 0.001 0.000 2.495 24 F HA 0.383 4.910 4.527 0.001 0.000 0.365 24 F C 1.275 177.132 175.800 0.094 0.000 1.090 24 F CA -0.665 57.386 58.000 0.085 0.000 1.235 24 F CB 0.398 39.516 39.000 0.196 0.000 1.119 24 F HN 0.446 nan 8.300 nan 0.000 0.562 25 E N 4.751 125.137 120.200 0.310 0.000 2.442 25 E HA 0.015 4.365 4.350 0.001 0.000 0.262 25 E C -1.953 174.779 176.600 0.219 0.000 1.004 25 E CA -1.737 54.779 56.400 0.193 0.000 0.928 25 E CB 0.170 29.976 29.700 0.177 0.000 0.937 25 E HN 0.225 nan 8.360 nan 0.000 0.446 26 P HA 0.114 nan 4.420 nan 0.000 0.214 26 P C -0.478 176.853 177.300 0.052 0.000 1.826 26 P CA 0.177 63.221 63.100 -0.093 0.000 0.977 26 P CB -0.390 31.199 31.700 -0.185 0.000 1.930 27 M N -0.736 119.023 119.600 0.266 0.000 2.721 27 M HA 0.548 5.028 4.480 0.001 0.000 0.271 27 M C -1.778 174.652 176.300 0.217 0.000 1.259 27 M CA -1.328 54.099 55.300 0.212 0.000 0.835 27 M CB 2.023 34.680 32.600 0.095 0.000 1.689 27 M HN -0.312 nan 8.290 nan 0.000 0.470 28 I N 2.994 123.567 120.570 0.005 0.000 2.382 28 I HA 0.350 4.521 4.170 0.001 0.000 0.285 28 I C -0.680 175.370 176.117 -0.111 0.000 1.007 28 I CA -0.893 60.267 61.300 -0.232 0.000 1.142 28 I CB 1.661 39.314 38.000 -0.578 0.000 1.289 28 I HN 0.529 nan 8.210 nan 0.000 0.453 29 I N 5.891 126.429 120.570 -0.053 0.000 2.452 29 I HA 0.084 4.255 4.170 0.001 0.000 0.287 29 I C 1.045 177.151 176.117 -0.018 0.000 1.079 29 I CA 0.413 61.706 61.300 -0.011 0.000 1.387 29 I CB 0.838 38.843 38.000 0.008 0.000 1.404 29 I HN 0.654 nan 8.210 nan 0.000 0.522 30 E N 5.976 126.181 120.200 0.008 0.000 2.162 30 E HA 0.106 4.457 4.350 0.001 0.000 0.193 30 E C 0.310 176.930 176.600 0.034 0.000 0.953 30 E CA 0.778 57.181 56.400 0.006 0.000 0.849 30 E CB 0.577 30.281 29.700 0.006 0.000 0.810 30 E HN 0.696 nan 8.360 nan 0.000 0.470 31 R N -1.794 118.761 120.500 0.092 0.000 2.733 31 R HA 0.821 5.161 4.340 0.001 0.000 0.272 31 R C -1.566 174.857 176.300 0.204 0.000 1.029 31 R CA -0.840 55.323 56.100 0.105 0.000 0.888 31 R CB 1.143 31.472 30.300 0.048 0.000 1.251 31 R HN -0.028 nan 8.270 nan 0.000 0.464 32 A N 1.060 123.968 122.820 0.145 0.000 2.515 32 A HA 0.763 5.084 4.320 0.001 0.000 0.298 32 A C -1.546 176.167 177.584 0.215 0.000 1.059 32 A CA -0.729 51.357 52.037 0.081 0.000 0.698 32 A CB 2.229 21.020 19.000 -0.349 0.000 1.289 32 A HN 0.699 nan 8.150 nan 0.000 0.404 33 K N 0.994 121.589 120.400 0.326 0.000 2.571 33 K HA 0.577 4.898 4.320 0.001 0.000 0.252 33 K C 0.455 177.260 176.600 0.342 0.000 0.956 33 K CA 0.889 57.367 56.287 0.319 0.000 0.822 33 K CB 1.333 34.002 32.500 0.281 0.000 1.286 33 K HN 2.457 nan 8.250 nan 0.000 0.439 34 G N 1.942 110.901 108.800 0.265 0.000 2.611 34 G HA2 -0.322 3.638 3.960 0.001 0.000 0.301 34 G HA3 -0.322 3.638 3.960 0.001 0.000 0.301 34 G C 0.348 175.360 174.900 0.187 0.000 1.233 34 G CA 0.359 45.578 45.100 0.199 0.000 0.993 34 G HN 0.756 nan 8.290 nan 0.000 0.553 35 S N 0.609 116.340 115.700 0.053 0.000 2.701 35 S HA 0.475 4.945 4.470 0.001 0.000 0.220 35 S C -0.009 174.315 174.600 -0.460 0.000 0.954 35 S CA 0.681 58.767 58.200 -0.190 0.000 0.936 35 S CB -0.217 62.786 63.200 -0.328 0.000 0.777 35 S HN 0.419 nan 8.310 nan 0.000 0.518 36 F N 0.757 120.750 119.950 0.072 0.000 2.588 36 F HA 0.632 5.159 4.527 0.000 0.000 0.314 36 F C -0.073 175.526 175.800 -0.336 0.000 1.069 36 F CA -1.374 56.523 58.000 -0.172 0.000 0.931 36 F CB 1.553 40.340 39.000 -0.355 0.000 1.260 36 F HN -0.116 nan 8.300 nan 0.000 0.465 37 V N -0.808 118.938 119.914 -0.280 0.000 2.960 37 V HA 0.683 4.803 4.120 0.001 0.000 0.315 37 V C -1.824 173.863 176.094 -0.678 0.000 1.087 37 V CA -1.124 60.948 62.300 -0.379 0.000 0.982 37 V CB 1.986 33.668 31.823 -0.235 0.000 1.039 37 V HN 0.630 nan 8.190 nan 0.000 0.437 38 Y N 1.251 121.549 120.300 -0.004 0.000 2.391 38 Y HA 0.605 5.156 4.550 0.001 0.000 0.341 38 Y C 0.140 176.026 175.900 -0.024 0.000 0.965 38 Y CA -0.843 57.250 58.100 -0.012 0.000 1.067 38 Y CB 1.474 39.918 38.460 -0.026 0.000 1.199 38 Y HN 0.987 nan 8.280 nan 0.000 0.450 39 D N 1.087 121.548 120.400 0.103 0.000 2.398 39 D HA 0.272 4.913 4.640 0.001 0.000 0.264 39 D C 1.092 177.415 176.300 0.038 0.000 1.263 39 D CA -0.149 53.880 54.000 0.048 0.000 1.037 39 D CB 0.454 41.270 40.800 0.027 0.000 1.101 39 D HN 0.510 nan 8.370 nan 0.000 0.551 40 A N -0.793 122.023 122.820 -0.006 0.000 2.066 40 A HA -0.082 4.239 4.320 0.001 0.000 0.218 40 A C 1.343 178.923 177.584 -0.008 0.000 1.157 40 A CA 0.954 52.975 52.037 -0.026 0.000 0.670 40 A CB -0.461 18.496 19.000 -0.072 0.000 0.804 40 A HN 0.505 nan 8.150 nan 0.000 0.453 41 D N -0.946 119.458 120.400 0.006 0.000 2.340 41 D HA 0.225 4.866 4.640 0.001 0.000 0.220 41 D C 1.378 177.686 176.300 0.015 0.000 1.039 41 D CA 1.062 55.065 54.000 0.006 0.000 0.866 41 D CB 0.151 40.954 40.800 0.006 0.000 0.913 41 D HN 0.567 nan 8.370 nan 0.000 0.523 42 G N 1.708 110.530 108.800 0.038 0.000 2.176 42 G HA2 -0.325 3.636 3.960 0.001 0.000 0.253 42 G HA3 -0.325 3.636 3.960 0.001 0.000 0.253 42 G C 0.504 175.486 174.900 0.136 0.000 0.979 42 G CA -0.006 45.128 45.100 0.057 0.000 0.641 42 G HN 0.406 nan 8.290 nan 0.000 0.530 43 R N 0.805 121.366 120.500 0.102 0.000 2.537 43 R HA 0.569 4.910 4.340 0.001 0.000 0.280 43 R C 0.607 176.956 176.300 0.082 0.000 1.058 43 R CA 0.412 56.557 56.100 0.075 0.000 1.057 43 R CB 0.312 30.627 30.300 0.024 0.000 0.973 43 R HN 0.632 nan 8.270 nan 0.000 0.438 44 A N 5.548 128.366 122.820 -0.004 0.000 2.289 44 A HA 0.417 4.737 4.320 0.001 0.000 0.298 44 A C -0.735 176.776 177.584 -0.121 0.000 1.208 44 A CA -0.657 51.219 52.037 -0.269 0.000 0.845 44 A CB 0.400 19.177 19.000 -0.371 0.000 1.125 44 A HN 0.628 nan 8.150 nan 0.000 0.517 45 I N 2.765 123.282 120.570 -0.090 0.000 2.378 45 I HA 0.248 4.419 4.170 0.001 0.000 0.291 45 I C -0.209 176.006 176.117 0.163 0.000 0.992 45 I CA -0.490 60.833 61.300 0.037 0.000 1.154 45 I CB 1.694 39.676 38.000 -0.030 0.000 1.315 45 I HN 0.590 nan 8.210 nan 0.000 0.448 46 L N 6.369 127.668 121.223 0.127 0.000 2.418 46 L HA 0.229 4.569 4.340 0.001 0.000 0.274 46 L C 0.120 176.903 176.870 -0.145 0.000 1.135 46 L CA 0.444 55.160 54.840 -0.206 0.000 0.870 46 L CB 0.040 41.967 42.059 -0.220 0.000 1.154 46 L HN 0.501 nan 8.230 nan 0.000 0.462 47 D N 4.610 124.943 120.400 -0.113 0.000 2.522 47 D HA 0.016 4.657 4.640 0.001 0.000 0.218 47 D C 0.449 176.863 176.300 0.190 0.000 1.149 47 D CA -0.136 53.896 54.000 0.054 0.000 0.981 47 D CB -0.090 40.776 40.800 0.110 0.000 1.041 47 D HN 0.446 nan 8.370 nan 0.000 0.518 48 F N 1.239 121.140 119.950 -0.082 0.000 2.795 48 F HA 0.025 4.552 4.527 0.001 0.000 0.303 48 F C 1.978 177.751 175.800 -0.045 0.000 1.186 48 F CA 0.498 58.452 58.000 -0.076 0.000 1.415 48 F CB -0.243 38.709 39.000 -0.079 0.000 1.106 48 F HN 0.306 nan 8.300 nan 0.000 0.558 49 T N -5.847 108.774 114.554 0.111 0.000 3.111 49 T HA 0.148 4.498 4.350 0.001 0.000 0.284 49 T C 0.713 175.418 174.700 0.007 0.000 0.983 49 T CA 0.326 62.450 62.100 0.040 0.000 0.900 49 T CB -0.235 68.668 68.868 0.059 0.000 1.132 49 T HN -0.098 nan 8.240 nan 0.000 0.531 50 S N 1.150 116.851 115.700 0.002 0.000 3.706 50 S HA 0.042 4.513 4.470 0.001 0.000 0.363 50 S C 1.460 176.046 174.600 -0.023 0.000 0.999 50 S CA 1.036 59.203 58.200 -0.054 0.000 1.143 50 S CB -1.907 61.239 63.200 -0.091 0.000 0.902 50 S HN 1.942 nan 8.310 nan 0.000 0.476 51 G N 0.903 109.751 108.800 0.079 0.000 2.536 51 G HA2 -0.342 3.619 3.960 0.001 0.000 0.280 51 G HA3 -0.342 3.619 3.960 0.001 0.000 0.280 51 G C -0.196 174.749 174.900 0.075 0.000 1.152 51 G CA 0.605 45.783 45.100 0.130 0.000 0.970 51 G HN 0.880 nan 8.290 nan 0.000 0.549 52 Q N 1.131 120.965 119.800 0.057 0.000 3.135 52 Q HA 0.572 4.912 4.340 0.001 0.000 0.344 52 Q C 1.097 177.098 176.000 0.002 0.000 1.321 52 Q CA 0.377 56.199 55.803 0.032 0.000 1.050 52 Q CB -0.807 27.955 28.738 0.040 0.000 1.498 52 Q HN 0.702 nan 8.270 nan 0.000 0.503 53 M N -0.811 118.783 119.600 -0.009 0.000 2.461 53 M HA -0.277 4.204 4.480 0.001 0.000 0.203 53 M C -0.080 176.201 176.300 -0.030 0.000 0.428 53 M CA 0.893 56.175 55.300 -0.028 0.000 0.509 53 M CB -2.995 29.584 32.600 -0.035 0.000 1.851 53 M HN 0.353 nan 8.290 nan 0.000 0.834 54 S N -0.949 114.730 115.700 -0.035 0.000 2.830 54 S HA 0.393 4.864 4.470 0.001 0.000 0.249 54 S C 1.059 175.619 174.600 -0.066 0.000 1.084 54 S CA 0.334 58.511 58.200 -0.037 0.000 0.852 54 S CB 0.609 63.798 63.200 -0.018 0.000 0.802 54 S HN 0.703 nan 8.310 nan 0.000 0.481 55 A N 3.074 125.830 122.820 -0.107 0.000 3.051 55 A HA 0.314 4.635 4.320 0.001 0.000 0.275 55 A C 1.477 178.975 177.584 -0.144 0.000 1.900 55 A CA -0.091 51.847 52.037 -0.165 0.000 1.496 55 A CB -0.999 17.780 19.000 -0.370 0.000 1.013 55 A HN 0.478 nan 8.150 nan 0.000 0.611 56 V N 0.129 119.980 119.914 -0.104 0.000 2.626 56 V HA -0.114 4.007 4.120 0.001 0.000 0.252 56 V C 1.390 177.431 176.094 -0.087 0.000 1.067 56 V CA 1.522 63.764 62.300 -0.096 0.000 1.081 56 V CB -0.770 31.001 31.823 -0.088 0.000 0.686 56 V HN 0.642 nan 8.190 nan 0.000 0.468 57 L N 1.423 122.594 121.223 -0.086 0.000 2.653 57 L HA 0.559 4.900 4.340 0.001 0.000 0.231 57 L C 1.205 178.100 176.870 0.042 0.000 1.153 57 L CA 0.428 55.243 54.840 -0.042 0.000 0.933 57 L CB -0.943 41.021 42.059 -0.158 0.000 1.175 57 L HN 0.672 nan 8.230 nan 0.000 0.473 58 G N 0.070 108.837 108.800 -0.054 0.000 2.828 58 G HA2 -0.212 3.749 3.960 0.001 0.000 0.463 58 G HA3 -0.212 3.749 3.960 0.001 0.000 0.463 58 G C -0.454 174.373 174.900 -0.122 0.000 1.394 58 G CA -0.781 44.271 45.100 -0.081 0.000 0.862 58 G HN 0.302 nan 8.290 nan 0.000 0.540 59 H N -0.917 118.201 119.070 0.081 0.000 2.582 59 H HA 0.329 4.886 4.556 0.001 0.000 0.345 59 H C 1.365 176.757 175.328 0.107 0.000 1.104 59 H CA 0.729 56.831 56.048 0.090 0.000 1.390 59 H CB 0.701 30.520 29.762 0.096 0.000 1.461 59 H HN 1.274 nan 8.280 nan 0.000 0.551 60 C N 2.884 122.316 119.300 0.220 0.000 4.167 60 C HA -0.187 4.273 4.460 0.001 0.000 0.302 60 C C 1.055 176.134 174.990 0.149 0.000 1.384 60 C CA 0.187 59.305 59.018 0.167 0.000 2.041 60 C CB -3.022 24.810 27.740 0.153 0.000 1.303 60 C HN 0.772 nan 8.230 nan 0.000 0.718 61 H N 2.742 121.847 119.070 0.059 0.000 2.929 61 H HA 0.101 4.657 4.556 0.001 0.000 0.317 61 H C -0.673 174.680 175.328 0.041 0.000 1.031 61 H CA -0.517 55.557 56.048 0.043 0.000 1.466 61 H CB 1.243 31.018 29.762 0.021 0.000 1.482 61 H HN 0.271 nan 8.280 nan 0.000 0.561 62 P HA -0.211 nan 4.420 nan 0.000 0.217 62 P C 0.828 178.229 177.300 0.168 0.000 1.151 62 P CA 1.417 64.524 63.100 0.012 0.000 0.849 62 P CB 0.408 32.040 31.700 -0.114 0.000 0.787 63 E N -0.922 119.531 120.200 0.422 0.000 2.112 63 E HA -0.059 4.291 4.350 0.001 0.000 0.190 63 E C 2.131 178.829 176.600 0.163 0.000 0.979 63 E CA 0.610 57.164 56.400 0.256 0.000 0.814 63 E CB -0.330 29.509 29.700 0.231 0.000 0.762 63 E HN 0.221 nan 8.360 nan 0.000 0.460 64 I N 1.187 121.866 120.570 0.181 0.000 2.252 64 I HA -0.183 3.988 4.170 0.001 0.000 0.245 64 I C 2.502 178.677 176.117 0.097 0.000 1.102 64 I CA 0.784 62.137 61.300 0.087 0.000 1.385 64 I CB -1.106 36.938 38.000 0.075 0.000 1.064 64 I HN -0.078 nan 8.210 nan 0.000 0.414 65 V N 1.228 121.213 119.914 0.119 0.000 2.287 65 V HA -0.269 3.851 4.120 0.001 0.000 0.248 65 V C 2.582 178.728 176.094 0.087 0.000 1.053 65 V CA 2.154 64.510 62.300 0.093 0.000 1.027 65 V CB -0.915 30.958 31.823 0.083 0.000 0.646 65 V HN 0.477 nan 8.190 nan 0.000 0.447 66 S N -0.289 115.467 115.700 0.093 0.000 2.355 66 S HA -0.181 4.290 4.470 0.001 0.000 0.222 66 S C 2.023 176.689 174.600 0.110 0.000 1.031 66 S CA 1.403 59.655 58.200 0.086 0.000 0.993 66 S CB -0.653 62.596 63.200 0.081 0.000 0.859 66 S HN 0.357 nan 8.310 nan 0.000 0.453 67 V N 2.227 122.212 119.914 0.120 0.000 2.407 67 V HA -0.110 4.010 4.120 0.001 0.000 0.248 67 V C 2.042 178.258 176.094 0.202 0.000 1.055 67 V CA 1.516 63.918 62.300 0.170 0.000 1.049 67 V CB -0.576 31.311 31.823 0.108 0.000 0.662 67 V HN 0.533 nan 8.190 nan 0.000 0.455 68 I N 0.389 121.035 120.570 0.127 0.000 2.286 68 I HA -0.144 4.027 4.170 0.001 0.000 0.248 68 I C 2.502 178.698 176.117 0.132 0.000 1.115 68 I CA 1.558 62.929 61.300 0.118 0.000 1.392 68 I CB -0.866 37.181 38.000 0.079 0.000 1.065 68 I HN 0.454 nan 8.210 nan 0.000 0.418 69 G N -0.029 108.836 108.800 0.108 0.000 2.453 69 G HA2 -0.272 3.688 3.960 0.001 0.000 0.215 69 G HA3 -0.272 3.688 3.960 0.001 0.000 0.215 69 G C 1.457 176.405 174.900 0.079 0.000 1.201 69 G CA 0.729 45.877 45.100 0.080 0.000 0.784 69 G HN 0.361 nan 8.290 nan 0.000 0.545 70 E N -0.490 119.762 120.200 0.088 0.000 2.055 70 E HA -0.254 4.097 4.350 0.001 0.000 0.209 70 E C 2.225 178.779 176.600 -0.076 0.000 1.036 70 E CA 1.737 58.136 56.400 -0.001 0.000 0.849 70 E CB -0.288 29.438 29.700 0.043 0.000 0.767 70 E HN 0.623 nan 8.360 nan 0.000 0.461 71 Y N -0.336 119.980 120.300 0.026 0.000 2.263 71 Y HA -0.111 4.440 4.550 0.002 0.000 0.292 71 Y C 2.221 178.141 175.900 0.033 0.000 1.130 71 Y CA 0.733 58.850 58.100 0.029 0.000 1.179 71 Y CB -0.322 38.156 38.460 0.029 0.000 0.998 71 Y HN 0.159 nan 8.280 nan 0.000 0.532 72 A N 0.215 123.138 122.820 0.173 0.000 1.917 72 A HA -0.211 4.109 4.320 0.001 0.000 0.219 72 A C 2.489 180.117 177.584 0.072 0.000 1.182 72 A CA 2.020 54.124 52.037 0.111 0.000 0.633 72 A CB -1.468 17.582 19.000 0.084 0.000 0.819 72 A HN 0.475 nan 8.150 nan 0.000 0.448 73 G N -0.743 108.081 108.800 0.039 0.000 2.650 73 G HA2 -0.003 3.958 3.960 0.001 0.000 0.214 73 G HA3 -0.003 3.958 3.960 0.001 0.000 0.214 73 G C 1.432 176.323 174.900 -0.016 0.000 1.136 73 G CA 1.127 46.233 45.100 0.009 0.000 0.789 73 G HN 0.745 nan 8.290 nan 0.000 0.536 74 K N -1.383 118.993 120.400 -0.040 0.000 2.443 74 K HA 0.385 4.706 4.320 0.001 0.000 0.200 74 K C 0.147 176.742 176.600 -0.008 0.000 1.278 74 K CA -0.190 56.056 56.287 -0.068 0.000 0.925 74 K CB 0.443 32.837 32.500 -0.177 0.000 1.225 74 K HN 0.156 nan 8.250 nan 0.000 0.514 75 L N 3.074 124.337 121.223 0.067 0.000 2.568 75 L HA 0.219 4.560 4.340 0.001 0.000 0.262 75 L C -1.041 175.946 176.870 0.195 0.000 0.980 75 L CA -0.464 54.461 54.840 0.142 0.000 0.882 75 L CB 1.872 44.056 42.059 0.208 0.000 1.198 75 L HN 0.321 nan 8.230 nan 0.000 0.425 76 D N 1.009 121.501 120.400 0.153 0.000 2.735 76 D HA 0.037 4.677 4.640 0.001 0.000 0.267 76 D C 0.357 176.776 176.300 0.199 0.000 1.081 76 D CA 0.680 54.783 54.000 0.171 0.000 0.980 76 D CB 0.250 41.143 40.800 0.154 0.000 1.129 76 D HN 0.502 nan 8.370 nan 0.000 0.459 77 H N -1.049 118.078 119.070 0.095 0.000 2.974 77 H HA 0.662 5.218 4.556 0.001 0.000 0.366 77 H C -1.655 173.721 175.328 0.081 0.000 1.155 77 H CA -0.863 55.242 56.048 0.094 0.000 1.186 77 H CB 1.402 31.233 29.762 0.114 0.000 1.799 77 H HN 0.040 nan 8.280 nan 0.000 0.541 78 L N 3.051 123.854 121.223 -0.701 0.000 2.359 78 L HA 0.364 4.704 4.340 0.001 0.000 0.256 78 L C -0.571 176.035 176.870 -0.439 0.000 1.026 78 L CA -1.386 53.203 54.840 -0.419 0.000 0.828 78 L CB 1.669 43.650 42.059 -0.130 0.000 1.406 78 L HN 0.576 nan 8.230 nan 0.000 0.413 79 F N 0.455 120.263 119.950 -0.238 0.000 2.608 79 F HA -0.046 4.481 4.527 0.000 0.000 0.380 79 F C 1.380 177.114 175.800 -0.110 0.000 1.083 79 F CA 0.407 58.342 58.000 -0.108 0.000 1.266 79 F CB 0.911 39.900 39.000 -0.019 0.000 1.076 79 F HN 0.441 nan 8.300 nan 0.000 0.574 80 S N 3.305 118.501 115.700 -0.840 0.000 2.537 80 S HA -0.126 4.345 4.470 0.001 0.000 0.240 80 S C 1.200 175.482 174.600 -0.530 0.000 0.981 80 S CA 1.186 58.957 58.200 -0.715 0.000 0.948 80 S CB -0.431 62.145 63.200 -1.040 0.000 0.759 80 S HN 0.742 nan 8.310 nan 0.000 0.531 81 E N 0.099 119.949 120.200 -0.582 0.000 2.476 81 E HA 0.233 4.584 4.350 0.001 0.000 0.196 81 E C -0.213 176.485 176.600 0.164 0.000 1.029 81 E CA 0.010 56.393 56.400 -0.029 0.000 0.896 81 E CB 0.303 30.147 29.700 0.241 0.000 1.012 81 E HN 0.447 nan 8.360 nan 0.000 0.475 82 M N 1.658 121.344 119.600 0.143 0.000 2.180 82 M HA 0.337 4.817 4.480 0.001 0.000 0.350 82 M C -0.535 175.793 176.300 0.047 0.000 1.125 82 M CA -0.390 54.987 55.300 0.129 0.000 1.031 82 M CB 1.514 34.209 32.600 0.159 0.000 1.623 82 M HN -0.062 nan 8.290 nan 0.000 0.451 83 L N 1.710 122.960 121.223 0.045 0.000 2.387 83 L HA 0.718 5.058 4.340 0.001 0.000 0.266 83 L C 0.258 177.147 176.870 0.032 0.000 1.059 83 L CA -0.416 54.440 54.840 0.026 0.000 0.801 83 L CB 1.757 43.831 42.059 0.024 0.000 1.223 83 L HN 0.836 nan 8.230 nan 0.000 0.456 84 S N -0.633 115.084 115.700 0.029 0.000 2.625 84 S HA 0.440 4.911 4.470 0.001 0.000 0.271 84 S C 0.272 174.897 174.600 0.042 0.000 1.161 84 S CA -1.029 57.198 58.200 0.044 0.000 0.820 84 S CB 1.868 65.102 63.200 0.058 0.000 1.137 84 S HN 0.594 nan 8.310 nan 0.000 0.470 85 R N 0.529 121.065 120.500 0.060 0.000 2.083 85 R HA -0.000 4.340 4.340 0.001 0.000 0.237 85 R C -1.016 175.305 176.300 0.036 0.000 1.137 85 R CA 1.864 57.996 56.100 0.053 0.000 0.951 85 R CB -1.842 28.502 30.300 0.072 0.000 0.851 85 R HN 0.512 nan 8.270 nan 0.000 0.434 86 P HA -0.112 nan 4.420 nan 0.000 0.218 86 P C 1.458 178.735 177.300 -0.038 0.000 1.148 86 P CA 1.035 64.112 63.100 -0.038 0.000 0.822 86 P CB -0.007 31.602 31.700 -0.152 0.000 0.784 87 V N -0.512 119.390 119.914 -0.019 0.000 2.323 87 V HA -0.166 3.954 4.120 0.001 0.000 0.244 87 V C 2.520 178.607 176.094 -0.011 0.000 1.041 87 V CA 1.620 63.909 62.300 -0.019 0.000 1.025 87 V CB -1.059 30.756 31.823 -0.014 0.000 0.656 87 V HN -0.045 nan 8.190 nan 0.000 0.451 88 V N 0.200 120.113 119.914 -0.001 0.000 2.358 88 V HA -0.216 3.905 4.120 0.001 0.000 0.246 88 V C 2.258 178.352 176.094 0.000 0.000 1.047 88 V CA 2.004 64.304 62.300 0.001 0.000 1.035 88 V CB -0.702 31.125 31.823 0.007 0.000 0.658 88 V HN 0.550 nan 8.190 nan 0.000 0.452 89 D N 0.050 120.452 120.400 0.002 0.000 2.097 89 D HA -0.157 4.484 4.640 0.001 0.000 0.195 89 D C 1.965 178.263 176.300 -0.004 0.000 0.989 89 D CA 1.165 55.167 54.000 0.002 0.000 0.827 89 D CB -0.333 40.471 40.800 0.007 0.000 0.966 89 D HN 0.339 nan 8.370 nan 0.000 0.456 90 L N 0.964 122.179 121.223 -0.013 0.000 2.017 90 L HA -0.046 4.295 4.340 0.001 0.000 0.208 90 L C 2.132 178.998 176.870 -0.006 0.000 1.073 90 L CA 1.749 56.581 54.840 -0.014 0.000 0.745 90 L CB -0.931 41.112 42.059 -0.027 0.000 0.894 90 L HN -0.018 nan 8.230 nan 0.000 0.432 91 A N -1.444 121.370 122.820 -0.010 0.000 1.883 91 A HA -0.243 4.078 4.320 0.001 0.000 0.217 91 A C 2.275 179.854 177.584 -0.009 0.000 1.186 91 A CA 2.537 54.566 52.037 -0.012 0.000 0.624 91 A CB -1.325 17.667 19.000 -0.014 0.000 0.822 91 A HN 0.517 nan 8.150 nan 0.000 0.444 92 T N -0.743 113.808 114.554 -0.005 0.000 2.708 92 T HA -0.163 4.188 4.350 0.001 0.000 0.266 92 T C 2.100 176.803 174.700 0.005 0.000 1.037 92 T CA 1.774 63.874 62.100 -0.001 0.000 1.146 92 T CB -0.251 68.618 68.868 0.001 0.000 0.865 92 T HN 0.507 nan 8.240 nan 0.000 0.435 93 R N 1.111 121.616 120.500 0.009 0.000 2.083 93 R HA 0.027 4.367 4.340 0.001 0.000 0.237 93 R C 2.266 178.585 176.300 0.032 0.000 1.137 93 R CA 1.420 57.531 56.100 0.019 0.000 0.951 93 R CB -0.998 29.312 30.300 0.016 0.000 0.851 93 R HN 0.394 nan 8.270 nan 0.000 0.434 94 L N -0.362 120.877 121.223 0.026 0.000 2.083 94 L HA -0.138 4.202 4.340 0.001 0.000 0.209 94 L C 2.461 179.334 176.870 0.005 0.000 1.083 94 L CA 1.409 56.268 54.840 0.031 0.000 0.752 94 L CB -0.658 41.404 42.059 0.005 0.000 0.899 94 L HN 0.378 nan 8.230 nan 0.000 0.433 95 A N 0.193 123.007 122.820 -0.009 0.000 1.902 95 A HA -0.202 4.119 4.320 0.001 0.000 0.217 95 A C 1.996 179.579 177.584 -0.002 0.000 1.181 95 A CA 1.798 53.823 52.037 -0.021 0.000 0.623 95 A CB -0.510 18.478 19.000 -0.020 0.000 0.818 95 A HN 0.436 nan 8.150 nan 0.000 0.443 96 N N 0.457 119.166 118.700 0.015 0.000 2.244 96 N HA -0.106 4.634 4.740 0.001 0.000 0.183 96 N C 1.583 177.123 175.510 0.050 0.000 1.016 96 N CA 1.703 54.769 53.050 0.026 0.000 0.866 96 N CB -0.411 38.090 38.487 0.024 0.000 0.980 96 N HN 0.794 nan 8.380 nan 0.000 0.430 97 I N -1.289 119.332 120.570 0.085 0.000 3.883 97 I HA 0.140 4.310 4.170 0.001 0.000 0.326 97 I C -0.000 176.264 176.117 0.245 0.000 1.283 97 I CA 0.058 61.449 61.300 0.151 0.000 1.161 97 I CB -0.498 37.603 38.000 0.169 0.000 1.012 97 I HN -0.146 nan 8.210 nan 0.000 0.421 98 T N 0.524 115.148 114.554 0.116 0.000 2.902 98 T HA 0.524 4.874 4.350 0.001 0.000 0.280 98 T C -2.496 172.211 174.700 0.011 0.000 0.992 98 T CA -1.634 60.463 62.100 -0.004 0.000 1.015 98 T CB 0.996 69.734 68.868 -0.217 0.000 1.044 98 T HN -0.018 nan 8.240 nan 0.000 0.520 99 P HA 0.308 nan 4.420 nan 0.000 0.272 99 P C -2.668 174.619 177.300 -0.022 0.000 1.240 99 P CA -1.631 61.470 63.100 0.001 0.000 0.791 99 P CB -1.047 30.655 31.700 0.003 0.000 0.978 100 P HA 0.111 nan 4.420 nan 0.000 0.266 100 P C 0.962 178.246 177.300 -0.027 0.000 1.195 100 P CA 1.192 64.282 63.100 -0.016 0.000 0.768 100 P CB -0.049 31.646 31.700 -0.008 0.000 0.838 101 G N 1.842 110.623 108.800 -0.032 0.000 2.232 101 G HA2 -0.189 3.772 3.960 0.001 0.000 0.226 101 G HA3 -0.189 3.772 3.960 0.001 0.000 0.226 101 G C -0.252 174.617 174.900 -0.053 0.000 0.996 101 G CA -0.466 44.611 45.100 -0.039 0.000 0.626 101 G HN 0.472 nan 8.290 nan 0.000 0.509 102 L N 1.749 122.935 121.223 -0.061 0.000 2.295 102 L HA 0.503 4.844 4.340 0.001 0.000 0.281 102 L C 0.032 176.862 176.870 -0.068 0.000 1.018 102 L CA -0.756 54.034 54.840 -0.082 0.000 0.841 102 L CB 1.311 43.297 42.059 -0.122 0.000 1.218 102 L HN 0.052 nan 8.230 nan 0.000 0.424 103 D N 1.533 121.896 120.400 -0.062 0.000 2.531 103 D HA 0.137 4.777 4.640 0.001 0.000 0.263 103 D C 0.435 176.706 176.300 -0.048 0.000 1.057 103 D CA 0.342 54.313 54.000 -0.048 0.000 0.909 103 D CB 0.903 41.678 40.800 -0.041 0.000 1.236 103 D HN 0.369 nan 8.370 nan 0.000 0.494 104 R N 0.879 121.345 120.500 -0.058 0.000 2.599 104 R HA 0.796 5.137 4.340 0.001 0.000 0.295 104 R C -0.727 175.536 176.300 -0.061 0.000 0.963 104 R CA -0.718 55.350 56.100 -0.054 0.000 0.883 104 R CB 2.579 32.846 30.300 -0.055 0.000 1.171 104 R HN -0.085 nan 8.270 nan 0.000 0.450 105 A N 2.480 125.271 122.820 -0.048 0.000 2.356 105 A HA 0.722 5.042 4.320 0.001 0.000 0.323 105 A C -1.338 176.227 177.584 -0.032 0.000 1.119 105 A CA -0.737 51.272 52.037 -0.047 0.000 0.790 105 A CB 1.573 20.549 19.000 -0.040 0.000 1.273 105 A HN 0.570 nan 8.150 nan 0.000 0.452 106 L N 1.536 122.740 121.223 -0.032 0.000 2.381 106 L HA 0.655 4.995 4.340 0.001 0.000 0.274 106 L C -1.506 175.357 176.870 -0.012 0.000 0.988 106 L CA -0.217 54.618 54.840 -0.009 0.000 0.824 106 L CB 1.445 43.503 42.059 -0.000 0.000 1.263 106 L HN 0.595 nan 8.230 nan 0.000 0.410 107 L N 6.569 127.793 121.223 0.001 0.000 2.280 107 L HA 0.522 4.863 4.340 0.001 0.000 0.287 107 L C -0.329 176.557 176.870 0.026 0.000 1.023 107 L CA -0.257 54.586 54.840 0.005 0.000 0.819 107 L CB 1.148 43.206 42.059 -0.003 0.000 1.212 107 L HN 0.658 nan 8.230 nan 0.000 0.420 108 L N 0.806 122.051 121.223 0.036 0.000 2.670 108 L HA 0.551 4.891 4.340 0.001 0.000 0.251 108 L C 0.906 177.814 176.870 0.064 0.000 1.548 108 L CA -0.331 54.553 54.840 0.073 0.000 1.643 108 L CB 1.446 43.558 42.059 0.089 0.000 2.174 108 L HN 0.516 nan 8.230 nan 0.000 0.585 109 S N -1.924 113.824 115.700 0.080 0.000 2.691 109 S HA 0.099 4.570 4.470 0.001 0.000 0.241 109 S C 0.378 175.003 174.600 0.042 0.000 1.077 109 S CA 0.304 58.533 58.200 0.048 0.000 0.900 109 S CB 0.558 63.781 63.200 0.039 0.000 0.805 109 S HN 0.788 nan 8.310 nan 0.000 0.529 110 T N -1.128 113.464 114.554 0.064 0.000 2.940 110 T HA 0.662 5.012 4.350 0.001 0.000 0.288 110 T C 1.337 176.080 174.700 0.072 0.000 1.045 110 T CA -0.071 62.067 62.100 0.063 0.000 1.018 110 T CB 1.350 70.259 68.868 0.069 0.000 1.151 110 T HN 0.068 nan 8.240 nan 0.000 0.529 111 G N 0.285 109.135 108.800 0.083 0.000 2.421 111 G HA2 0.009 3.970 3.960 0.001 0.000 0.216 111 G HA3 0.009 3.970 3.960 0.001 0.000 0.216 111 G C 1.728 176.690 174.900 0.104 0.000 1.171 111 G CA 0.885 46.044 45.100 0.099 0.000 0.775 111 G HN 1.136 nan 8.290 nan 0.000 0.543 112 A N 0.476 123.363 122.820 0.111 0.000 1.933 112 A HA -0.020 4.301 4.320 0.001 0.000 0.218 112 A C 2.151 179.787 177.584 0.087 0.000 1.175 112 A CA 2.028 54.121 52.037 0.094 0.000 0.628 112 A CB -0.452 18.596 19.000 0.080 0.000 0.814 112 A HN 0.489 nan 8.150 nan 0.000 0.444 113 E N 0.315 120.578 120.200 0.105 0.000 2.051 113 E HA -0.193 4.158 4.350 0.001 0.000 0.192 113 E C 2.278 178.905 176.600 0.044 0.000 0.991 113 E CA 1.627 58.120 56.400 0.155 0.000 0.799 113 E CB -0.133 29.674 29.700 0.178 0.000 0.748 113 E HN 0.747 nan 8.360 nan 0.000 0.449 114 S N 0.662 116.368 115.700 0.010 0.000 2.382 114 S HA -0.161 4.310 4.470 0.001 0.000 0.228 114 S C 1.711 176.265 174.600 -0.077 0.000 1.027 114 S CA 1.283 59.447 58.200 -0.060 0.000 0.991 114 S CB -0.394 62.796 63.200 -0.016 0.000 0.823 114 S HN 0.250 nan 8.310 nan 0.000 0.469 115 N N 1.651 120.340 118.700 -0.017 0.000 2.188 115 N HA -0.022 4.718 4.740 0.001 0.000 0.184 115 N C 1.774 177.257 175.510 -0.044 0.000 1.018 115 N CA 1.300 54.332 53.050 -0.030 0.000 0.858 115 N CB -0.396 38.095 38.487 0.007 0.000 0.989 115 N HN 0.594 nan 8.380 nan 0.000 0.426 116 E N 1.211 121.408 120.200 -0.004 0.000 2.077 116 E HA -0.087 4.263 4.350 0.001 0.000 0.193 116 E C 1.884 178.467 176.600 -0.029 0.000 0.989 116 E CA 0.810 57.244 56.400 0.057 0.000 0.800 116 E CB -0.131 29.695 29.700 0.209 0.000 0.746 116 E HN 0.320 nan 8.360 nan 0.000 0.452 117 A N 1.592 124.194 122.820 -0.364 0.000 1.930 117 A HA -0.040 4.280 4.320 0.001 0.000 0.217 117 A C 2.424 179.889 177.584 -0.199 0.000 1.175 117 A CA 1.765 53.377 52.037 -0.709 0.000 0.627 117 A CB -0.460 17.801 19.000 -1.232 0.000 0.815 117 A HN 0.268 nan 8.150 nan 0.000 0.443 118 A N 0.008 122.730 122.820 -0.163 0.000 1.873 118 A HA -0.057 4.263 4.320 0.001 0.000 0.215 118 A C 2.114 179.669 177.584 -0.049 0.000 1.186 118 A CA 1.497 53.470 52.037 -0.106 0.000 0.616 118 A CB -0.604 18.336 19.000 -0.099 0.000 0.823 118 A HN 0.472 nan 8.150 nan 0.000 0.442 119 I N -0.998 119.554 120.570 -0.031 0.000 2.226 119 I HA -0.245 3.925 4.170 0.001 0.000 0.245 119 I C 2.723 178.878 176.117 0.063 0.000 1.100 119 I CA 1.603 62.906 61.300 0.004 0.000 1.374 119 I CB -0.286 37.714 38.000 -0.001 0.000 1.057 119 I HN 0.373 nan 8.210 nan 0.000 0.413 120 R N 0.963 121.535 120.500 0.120 0.000 2.073 120 R HA -0.211 4.130 4.340 0.001 0.000 0.234 120 R C 2.422 178.875 176.300 0.255 0.000 1.134 120 R CA 1.684 57.911 56.100 0.211 0.000 0.952 120 R CB -0.241 30.249 30.300 0.316 0.000 0.850 120 R HN 0.277 nan 8.270 nan 0.000 0.433 121 M N 0.060 119.810 119.600 0.250 0.000 2.159 121 M HA -0.141 4.339 4.480 0.001 0.000 0.263 121 M C 2.088 178.388 176.300 0.000 0.000 1.063 121 M CA 2.013 57.334 55.300 0.035 0.000 1.110 121 M CB -0.090 32.318 32.600 -0.320 0.000 1.374 121 M HN 0.313 nan 8.290 nan 0.000 0.411 122 A N 0.450 123.273 122.820 0.004 0.000 1.933 122 A HA -0.188 4.133 4.320 0.001 0.000 0.218 122 A C 2.039 179.644 177.584 0.034 0.000 1.175 122 A CA 1.873 53.911 52.037 0.002 0.000 0.628 122 A CB -0.529 18.471 19.000 -0.001 0.000 0.814 122 A HN 0.566 nan 8.150 nan 0.000 0.444 123 K N -0.950 119.490 120.400 0.067 0.000 2.025 123 K HA -0.090 4.230 4.320 0.001 0.000 0.207 123 K C 1.938 178.592 176.600 0.090 0.000 1.049 123 K CA 1.315 57.655 56.287 0.088 0.000 0.933 123 K CB -0.371 32.197 32.500 0.114 0.000 0.714 123 K HN 0.373 nan 8.250 nan 0.000 0.438 124 L N 1.197 122.487 121.223 0.110 0.000 1.989 124 L HA -0.180 4.161 4.340 0.001 0.000 0.211 124 L C 2.196 179.107 176.870 0.069 0.000 1.071 124 L CA 1.620 56.528 54.840 0.113 0.000 0.749 124 L CB -0.563 41.608 42.059 0.186 0.000 0.890 124 L HN 0.116 nan 8.230 nan 0.000 0.431 125 V N -3.428 116.510 119.914 0.040 0.000 2.759 125 V HA -0.131 3.990 4.120 0.001 0.000 0.256 125 V C 2.147 178.251 176.094 0.018 0.000 1.080 125 V CA 1.842 64.153 62.300 0.017 0.000 1.101 125 V CB -1.807 30.009 31.823 -0.013 0.000 0.698 125 V HN 0.696 nan 8.190 nan 0.000 0.477 126 T N -3.245 111.324 114.554 0.025 0.000 3.051 126 T HA 0.368 4.719 4.350 0.001 0.000 0.255 126 T C 1.802 176.521 174.700 0.032 0.000 1.085 126 T CA 0.850 62.962 62.100 0.021 0.000 1.109 126 T CB 0.135 69.013 68.868 0.016 0.000 0.921 126 T HN 1.571 nan 8.240 nan 0.000 0.488 127 G N 1.597 110.427 108.800 0.050 0.000 2.153 127 G HA2 -0.240 3.720 3.960 0.001 0.000 0.252 127 G HA3 -0.240 3.720 3.960 0.001 0.000 0.252 127 G C -0.037 174.914 174.900 0.085 0.000 0.994 127 G CA 0.543 45.681 45.100 0.063 0.000 0.698 127 G HN 0.682 nan 8.290 nan 0.000 0.521 128 K N -1.638 118.807 120.400 0.076 0.000 2.346 128 K HA 0.679 5.000 4.320 0.001 0.000 0.238 128 K C 0.400 177.068 176.600 0.112 0.000 1.039 128 K CA -0.494 55.827 56.287 0.056 0.000 0.861 128 K CB 1.274 33.750 32.500 -0.041 0.000 1.278 128 K HN 0.378 nan 8.250 nan 0.000 0.460 129 Y N -1.882 118.440 120.300 0.037 0.000 2.590 129 Y HA 0.372 4.922 4.550 0.001 0.000 0.263 129 Y C -0.311 175.608 175.900 0.031 0.000 1.069 129 Y CA -0.662 57.455 58.100 0.028 0.000 1.242 129 Y CB 0.278 38.749 38.460 0.017 0.000 1.357 129 Y HN 0.382 nan 8.280 nan 0.000 0.556 130 E N 2.802 122.818 120.200 -0.307 0.000 2.316 130 E HA 0.300 4.651 4.350 0.001 0.000 0.275 130 E C -0.646 175.965 176.600 0.019 0.000 1.029 130 E CA -0.238 56.104 56.400 -0.096 0.000 0.871 130 E CB 1.210 30.866 29.700 -0.073 0.000 1.022 130 E HN 0.167 nan 8.360 nan 0.000 0.418 131 I N 3.392 123.991 120.570 0.048 0.000 2.433 131 I HA 0.308 4.478 4.170 0.001 0.000 0.292 131 I C -0.261 175.841 176.117 -0.024 0.000 1.001 131 I CA -0.836 60.462 61.300 -0.003 0.000 1.119 131 I CB 1.459 39.442 38.000 -0.028 0.000 1.289 131 I HN 0.229 nan 8.210 nan 0.000 0.438 132 V N 4.670 124.473 119.914 -0.186 0.000 2.555 132 V HA 0.926 5.046 4.120 0.001 0.000 0.302 132 V C 0.423 175.937 176.094 -0.966 0.000 1.038 132 V CA -0.383 61.666 62.300 -0.418 0.000 0.887 132 V CB 1.789 33.366 31.823 -0.410 0.000 0.991 132 V HN 0.984 nan 8.190 nan 0.000 0.434 133 G N 1.816 110.134 108.800 -0.804 0.000 2.949 133 G HA2 0.732 4.692 3.960 0.001 0.000 0.285 133 G HA3 0.732 4.692 3.960 0.001 0.000 0.285 133 G C -1.666 172.875 174.900 -0.599 0.000 1.395 133 G CA -0.623 44.013 45.100 -0.773 0.000 0.901 133 G HN 0.275 nan 8.290 nan 0.000 0.519 134 F N 0.231 120.165 119.950 -0.027 0.000 2.377 134 F HA 0.539 5.066 4.527 0.001 0.000 0.328 134 F C 1.553 177.306 175.800 -0.079 0.000 1.094 134 F CA -0.337 57.680 58.000 0.029 0.000 1.093 134 F CB 1.934 41.022 39.000 0.148 0.000 1.214 134 F HN 0.501 nan 8.300 nan 0.000 0.518 135 A N 1.444 124.355 122.820 0.152 0.000 2.216 135 A HA -0.057 4.264 4.320 0.001 0.000 0.214 135 A C 1.083 178.768 177.584 0.169 0.000 1.160 135 A CA 0.829 52.877 52.037 0.019 0.000 0.725 135 A CB -0.588 18.422 19.000 0.017 0.000 0.784 135 A HN 0.679 nan 8.150 nan 0.000 0.472 136 Q N 0.330 120.246 119.800 0.194 0.000 2.115 136 Q HA 0.185 4.526 4.340 0.001 0.000 0.249 136 Q C 0.006 176.110 176.000 0.174 0.000 0.830 136 Q CA 0.241 56.131 55.803 0.145 0.000 1.104 136 Q CB -0.549 28.199 28.738 0.018 0.000 1.207 136 Q HN 0.517 nan 8.270 nan 0.000 0.464 137 S N 0.048 115.902 115.700 0.257 0.000 2.645 137 S HA 0.526 4.996 4.470 0.001 0.000 0.266 137 S C -0.514 174.155 174.600 0.115 0.000 1.258 137 S CA -0.514 57.784 58.200 0.163 0.000 0.990 137 S CB 1.402 64.731 63.200 0.215 0.000 0.967 137 S HN 0.497 nan 8.310 nan 0.000 0.556 138 W N 1.532 122.629 121.300 -0.339 0.000 2.934 138 W HA 0.345 5.005 4.660 0.001 0.000 0.333 138 W C -1.181 175.062 176.519 -0.459 0.000 1.035 138 W CA -0.418 56.762 57.345 -0.275 0.000 1.256 138 W CB 0.990 30.371 29.460 -0.132 0.000 1.306 138 W HN 0.965 nan 8.180 nan 0.000 0.430 139 H N 3.002 121.986 119.070 -0.144 0.000 2.986 139 H HA 0.370 4.926 4.556 0.001 0.000 0.267 139 H C 1.030 176.298 175.328 -0.099 0.000 1.072 139 H CA 0.846 56.882 56.048 -0.021 0.000 1.202 139 H CB 1.818 31.564 29.762 -0.027 0.000 1.535 139 H HN 0.519 nan 8.280 nan 0.000 0.522 140 G N 0.240 108.816 108.800 -0.374 0.000 2.347 140 G HA2 -0.034 3.926 3.960 0.001 0.000 0.321 140 G HA3 -0.034 3.926 3.960 0.001 0.000 0.321 140 G C 0.152 174.861 174.900 -0.319 0.000 1.412 140 G CA -0.532 44.483 45.100 -0.143 0.000 0.990 140 G HN -0.075 nan 8.290 nan 0.000 0.637 141 M N 0.671 120.204 119.600 -0.111 0.000 2.510 141 M HA 0.142 4.622 4.480 0.001 0.000 0.256 141 M C 1.712 177.961 176.300 -0.085 0.000 1.132 141 M CA 1.182 56.411 55.300 -0.118 0.000 1.105 141 M CB -0.673 31.935 32.600 0.012 0.000 1.375 141 M HN 0.854 nan 8.290 nan 0.000 0.477 142 T N -1.487 113.038 114.554 -0.048 0.000 2.913 142 T HA 0.459 4.810 4.350 0.001 0.000 0.297 142 T C 1.570 176.240 174.700 -0.050 0.000 1.029 142 T CA -0.039 62.045 62.100 -0.026 0.000 1.104 142 T CB 1.477 70.355 68.868 0.016 0.000 0.964 142 T HN 0.387 nan 8.240 nan 0.000 0.532 143 G N 2.137 110.912 108.800 -0.042 0.000 2.863 143 G HA2 -0.348 3.613 3.960 0.001 0.000 0.248 143 G HA3 -0.348 3.613 3.960 0.001 0.000 0.248 143 G C 1.697 176.558 174.900 -0.066 0.000 1.155 143 G CA 1.739 46.808 45.100 -0.053 0.000 0.752 143 G HN 1.321 nan 8.290 nan 0.000 0.666 144 A N 0.376 123.175 122.820 -0.036 0.000 1.897 144 A HA 0.397 4.718 4.320 0.001 0.000 0.215 144 A C 2.883 180.429 177.584 -0.063 0.000 1.181 144 A CA 2.364 54.377 52.037 -0.038 0.000 0.620 144 A CB -0.814 18.187 19.000 0.001 0.000 0.821 144 A HN 1.303 nan 8.150 nan 0.000 0.443 145 A N 0.038 122.827 122.820 -0.052 0.000 1.908 145 A HA 0.123 4.444 4.320 0.001 0.000 0.218 145 A C 2.483 179.976 177.584 -0.150 0.000 1.181 145 A CA 2.165 54.166 52.037 -0.061 0.000 0.627 145 A CB -0.969 18.012 19.000 -0.032 0.000 0.818 145 A HN 1.027 nan 8.150 nan 0.000 0.445 146 A N -0.777 121.926 122.820 -0.195 0.000 1.930 146 A HA -0.024 4.296 4.320 0.001 0.000 0.217 146 A C 2.366 179.766 177.584 -0.307 0.000 1.175 146 A CA 1.834 53.695 52.037 -0.294 0.000 0.627 146 A CB -0.822 18.035 19.000 -0.238 0.000 0.815 146 A HN 0.435 nan 8.150 nan 0.000 0.443 147 S N -0.390 115.174 115.700 -0.226 0.000 2.440 147 S HA -0.005 4.466 4.470 0.001 0.000 0.238 147 S C 1.711 176.120 174.600 -0.318 0.000 1.010 147 S CA 1.075 59.130 58.200 -0.242 0.000 0.972 147 S CB -0.212 62.902 63.200 -0.143 0.000 0.774 147 S HN 0.782 nan 8.310 nan 0.000 0.501 148 A N 0.511 123.192 122.820 -0.232 0.000 2.387 148 A HA 0.330 4.650 4.320 0.001 0.000 0.234 148 A C 0.593 178.132 177.584 -0.074 0.000 1.253 148 A CA -0.172 51.818 52.037 -0.078 0.000 0.894 148 A CB 0.206 19.213 19.000 0.013 0.000 0.963 148 A HN 0.254 nan 8.150 nan 0.000 0.508 149 T N -0.081 114.230 114.554 -0.405 0.000 2.733 149 T HA 0.423 4.773 4.350 0.001 0.000 0.294 149 T C -0.117 174.309 174.700 -0.456 0.000 0.956 149 T CA 0.198 62.089 62.100 -0.349 0.000 0.987 149 T CB 0.267 68.784 68.868 -0.585 0.000 0.920 149 T HN 0.346 nan 8.240 nan 0.000 0.470 150 Y N 0.677 120.968 120.300 -0.015 0.000 2.453 150 Y HA 0.118 4.668 4.550 0.001 0.000 0.247 150 Y C 2.511 178.446 175.900 0.059 0.000 1.124 150 Y CA -0.351 57.761 58.100 0.020 0.000 1.243 150 Y CB 0.295 38.783 38.460 0.048 0.000 1.213 150 Y HN 0.674 nan 8.280 nan 0.000 0.523 151 S N -0.188 115.649 115.700 0.227 0.000 2.453 151 S HA 0.415 4.885 4.470 0.001 0.000 0.231 151 S C 0.901 175.618 174.600 0.195 0.000 1.005 151 S CA 0.506 58.834 58.200 0.212 0.000 0.949 151 S CB 0.010 63.352 63.200 0.237 0.000 0.774 151 S HN 0.237 nan 8.310 nan 0.000 0.510 152 A N -1.351 121.582 122.820 0.188 0.000 2.511 152 A HA 0.649 4.969 4.320 0.001 0.000 0.293 152 A C 0.766 178.371 177.584 0.035 0.000 1.098 152 A CA -0.171 51.957 52.037 0.152 0.000 0.643 152 A CB -0.353 18.809 19.000 0.270 0.000 1.302 152 A HN 1.425 nan 8.150 nan 0.000 0.446 153 G N -0.762 108.060 108.800 0.037 0.000 2.184 153 G HA2 -0.283 3.677 3.960 0.001 0.000 0.264 153 G HA3 -0.283 3.677 3.960 0.001 0.000 0.264 153 G C 0.887 175.743 174.900 -0.074 0.000 0.975 153 G CA 1.081 46.164 45.100 -0.028 0.000 0.642 153 G HN 0.885 nan 8.290 nan 0.000 0.536 154 R N 0.190 120.646 120.500 -0.075 0.000 2.189 154 R HA 0.057 4.397 4.340 0.001 0.000 0.218 154 R C 0.992 177.263 176.300 -0.049 0.000 1.074 154 R CA 0.876 56.923 56.100 -0.089 0.000 0.991 154 R CB -0.039 30.211 30.300 -0.083 0.000 0.883 154 R HN 0.370 nan 8.270 nan 0.000 0.457 155 K N 0.053 120.439 120.400 -0.023 0.000 2.144 155 K HA 0.244 4.564 4.320 0.001 0.000 0.270 155 K C 0.739 177.331 176.600 -0.013 0.000 1.005 155 K CA 0.370 56.650 56.287 -0.012 0.000 0.932 155 K CB 1.313 33.814 32.500 0.002 0.000 1.021 155 K HN 0.193 nan 8.250 nan 0.000 0.462 156 G N 0.350 109.143 108.800 -0.011 0.000 2.184 156 G HA2 -0.293 3.667 3.960 0.001 0.000 0.264 156 G HA3 -0.293 3.667 3.960 0.001 0.000 0.264 156 G C 0.446 175.338 174.900 -0.013 0.000 0.975 156 G CA 0.524 45.619 45.100 -0.009 0.000 0.642 156 G HN 0.556 nan 8.290 nan 0.000 0.536 157 V N -2.409 117.492 119.914 -0.023 0.000 3.085 157 V HA 0.704 4.825 4.120 0.001 0.000 0.345 157 V C 1.220 177.294 176.094 -0.032 0.000 1.397 157 V CA 0.403 62.687 62.300 -0.026 0.000 1.165 157 V CB -0.272 31.532 31.823 -0.032 0.000 1.153 157 V HN 2.253 nan 8.190 nan 0.000 0.495 158 G N 1.229 110.012 108.800 -0.029 0.000 2.760 158 G HA2 -0.090 3.871 3.960 0.001 0.000 0.246 158 G HA3 -0.090 3.871 3.960 0.001 0.000 0.246 158 G C -2.364 172.511 174.900 -0.041 0.000 1.359 158 G CA -0.414 44.667 45.100 -0.032 0.000 0.861 158 G HN 0.577 nan 8.290 nan 0.000 0.541 159 P HA 0.547 nan 4.420 nan 0.000 0.269 159 P C 0.524 177.786 177.300 -0.064 0.000 1.209 159 P CA 0.505 63.575 63.100 -0.049 0.000 0.776 159 P CB 0.725 32.398 31.700 -0.046 0.000 0.876 160 A N 2.124 124.898 122.820 -0.077 0.000 2.267 160 A HA 0.590 4.911 4.320 0.001 0.000 0.271 160 A C 0.279 177.810 177.584 -0.088 0.000 1.131 160 A CA -0.116 51.862 52.037 -0.098 0.000 0.818 160 A CB -0.417 18.509 19.000 -0.123 0.000 1.118 160 A HN 0.624 nan 8.150 nan 0.000 0.501 161 A N -0.381 122.385 122.820 -0.090 0.000 2.498 161 A HA 0.454 4.774 4.320 0.001 0.000 0.239 161 A C 0.388 177.928 177.584 -0.074 0.000 1.068 161 A CA -0.249 51.744 52.037 -0.072 0.000 0.766 161 A CB -0.541 18.427 19.000 -0.053 0.000 1.003 161 A HN 1.157 nan 8.150 nan 0.000 0.497 162 V N 2.048 121.922 119.914 -0.066 0.000 2.720 162 V HA 0.338 4.459 4.120 0.001 0.000 0.307 162 V C 1.627 177.744 176.094 0.037 0.000 1.071 162 V CA 1.609 63.879 62.300 -0.049 0.000 1.199 162 V CB 0.027 31.787 31.823 -0.105 0.000 0.900 162 V HN 2.071 nan 8.190 nan 0.000 0.494 163 G N 3.541 112.317 108.800 -0.039 0.000 2.147 163 G HA2 -0.226 3.734 3.960 0.001 0.000 0.244 163 G HA3 -0.226 3.734 3.960 0.001 0.000 0.244 163 G C 0.178 174.873 174.900 -0.342 0.000 1.005 163 G CA 0.109 45.143 45.100 -0.110 0.000 0.713 163 G HN 0.793 nan 8.290 nan 0.000 0.515 164 S N -0.203 115.249 115.700 -0.414 0.000 2.489 164 S HA 0.785 5.256 4.470 0.001 0.000 0.277 164 S C -0.416 173.888 174.600 -0.493 0.000 1.230 164 S CA -0.087 57.949 58.200 -0.273 0.000 1.053 164 S CB 0.718 63.846 63.200 -0.120 0.000 0.955 164 S HN 0.344 nan 8.310 nan 0.000 0.488 165 F N 0.936 120.895 119.950 0.015 0.000 2.599 165 F HA 0.733 5.260 4.527 0.001 0.000 0.311 165 F C 0.173 175.812 175.800 -0.268 0.000 1.076 165 F CA -0.879 57.064 58.000 -0.095 0.000 0.937 165 F CB 1.694 40.603 39.000 -0.151 0.000 1.282 165 F HN 0.594 nan 8.300 nan 0.000 0.460 166 A N 2.310 125.018 122.820 -0.186 0.000 2.413 166 A HA 0.948 5.268 4.320 0.001 0.000 0.307 166 A C -1.088 176.366 177.584 -0.216 0.000 1.087 166 A CA -0.708 51.035 52.037 -0.490 0.000 0.750 166 A CB 1.451 19.811 19.000 -1.065 0.000 1.296 166 A HN 0.804 nan 8.150 nan 0.000 0.423 167 I N -1.530 118.975 120.570 -0.108 0.000 2.846 167 I HA 0.755 4.925 4.170 0.001 0.000 0.307 167 I C -2.939 173.321 176.117 0.237 0.000 1.053 167 I CA -3.039 58.303 61.300 0.070 0.000 1.050 167 I CB 2.246 40.323 38.000 0.128 0.000 1.239 167 I HN 0.246 nan 8.210 nan 0.000 0.439 168 P HA 0.230 nan 4.420 nan 0.000 0.271 168 P C -0.815 176.625 177.300 0.233 0.000 1.218 168 P CA -0.152 63.070 63.100 0.203 0.000 0.780 168 P CB 0.799 32.604 31.700 0.176 0.000 0.901 169 A N 4.465 127.288 122.820 0.005 0.000 2.316 169 A HA 0.537 4.858 4.320 0.001 0.000 0.284 169 A C -2.158 175.285 177.584 -0.235 0.000 1.115 169 A CA -1.649 50.106 52.037 -0.469 0.000 0.812 169 A CB -0.558 17.978 19.000 -0.772 0.000 1.064 169 A HN 0.421 nan 8.150 nan 0.000 0.489 170 P HA 0.161 nan 4.420 nan 0.000 0.270 170 P C -1.287 176.035 177.300 0.037 0.000 1.242 170 P CA 0.339 63.371 63.100 -0.114 0.000 0.768 170 P CB 0.202 31.569 31.700 -0.554 0.000 0.820 171 F N 4.494 124.461 119.950 0.028 0.000 2.513 171 F HA 0.205 4.732 4.527 0.001 0.000 0.358 171 F C 1.338 177.102 175.800 -0.061 0.000 1.118 171 F CA -1.073 56.900 58.000 -0.044 0.000 1.037 171 F CB 0.838 39.798 39.000 -0.066 0.000 1.276 171 F HN 0.236 nan 8.300 nan 0.000 0.446 172 T N 2.066 116.727 114.554 0.178 0.000 2.867 172 T HA -0.216 4.134 4.350 0.001 0.000 0.268 172 T C 1.739 176.295 174.700 -0.239 0.000 1.057 172 T CA 1.346 63.474 62.100 0.046 0.000 1.136 172 T CB -0.725 68.258 68.868 0.192 0.000 0.874 172 T HN 0.563 nan 8.240 nan 0.000 0.466 173 Y N 2.730 122.646 120.300 -0.639 0.000 2.274 173 Y HA 0.156 4.707 4.550 0.001 0.000 0.290 173 Y C 1.339 176.747 175.900 -0.821 0.000 1.145 173 Y CA 0.593 58.263 58.100 -0.718 0.000 1.203 173 Y CB 0.004 38.062 38.460 -0.669 0.000 0.984 173 Y HN 0.127 nan 8.280 nan 0.000 0.533 174 R N 0.854 120.591 120.500 -1.271 0.000 2.738 174 R HA 0.245 4.586 4.340 0.001 0.000 0.280 174 R C -2.731 173.222 176.300 -0.578 0.000 1.456 174 R CA -1.917 53.691 56.100 -0.820 0.000 1.612 174 R CB 0.536 30.477 30.300 -0.598 0.000 1.286 174 R HN 0.070 nan 8.270 nan 0.000 0.660 175 P HA 0.026 nan 4.420 nan 0.000 0.266 175 P C -0.153 176.902 177.300 -0.409 0.000 1.195 175 P CA 0.008 62.591 63.100 -0.863 0.000 0.768 175 P CB 0.914 32.069 31.700 -0.908 0.000 0.838 176 R N 0.641 121.010 120.500 -0.219 0.000 2.541 176 R HA 0.311 4.651 4.340 0.001 0.000 0.332 176 R C -0.521 175.868 176.300 0.148 0.000 0.951 176 R CA -0.162 55.936 56.100 -0.004 0.000 1.136 176 R CB 0.372 30.703 30.300 0.051 0.000 1.449 176 R HN 0.370 nan 8.270 nan 0.000 0.531 177 F N 1.953 121.975 119.950 0.119 0.000 2.539 177 F HA 0.320 4.847 4.527 0.001 0.000 0.328 177 F C -0.561 175.349 175.800 0.184 0.000 1.148 177 F CA -0.758 57.324 58.000 0.138 0.000 0.940 177 F CB 1.320 40.422 39.000 0.169 0.000 1.194 177 F HN -0.138 nan 8.300 nan 0.000 0.438 178 E N 6.358 126.435 120.200 -0.205 0.000 2.244 178 E HA 0.610 4.960 4.350 0.001 0.000 0.266 178 E C -1.321 175.179 176.600 -0.167 0.000 0.914 178 E CA -0.922 55.434 56.400 -0.074 0.000 0.794 178 E CB 1.748 31.407 29.700 -0.070 0.000 1.210 178 E HN 0.631 nan 8.360 nan 0.000 0.414 179 R N 2.665 123.140 120.500 -0.041 0.000 2.549 179 R HA 0.194 4.535 4.340 0.001 0.000 0.291 179 R C -1.248 175.038 176.300 -0.023 0.000 1.164 179 R CA -0.547 55.529 56.100 -0.040 0.000 0.973 179 R CB 0.770 31.078 30.300 0.013 0.000 1.210 179 R HN 0.917 nan 8.270 nan 0.000 0.422 180 N N 1.083 119.763 118.700 -0.034 0.000 2.681 180 N HA -0.218 4.522 4.740 0.001 0.000 0.259 180 N C 0.610 176.110 175.510 -0.017 0.000 1.066 180 N CA 0.696 53.731 53.050 -0.024 0.000 0.717 180 N CB -0.643 37.833 38.487 -0.018 0.000 0.885 180 N HN 1.069 nan 8.380 nan 0.000 0.547 181 G N -1.335 107.452 108.800 -0.022 0.000 2.337 181 G HA2 -0.080 3.881 3.960 0.001 0.000 0.290 181 G HA3 -0.080 3.881 3.960 0.001 0.000 0.290 181 G C 0.226 175.131 174.900 0.008 0.000 1.003 181 G CA 0.830 45.923 45.100 -0.012 0.000 0.825 181 G HN 1.174 nan 8.290 nan 0.000 0.509 182 A N -1.181 121.651 122.820 0.020 0.000 2.498 182 A HA 0.646 4.966 4.320 0.001 0.000 0.298 182 A C -0.610 177.043 177.584 0.116 0.000 1.075 182 A CA -0.765 51.303 52.037 0.053 0.000 0.714 182 A CB 1.187 20.200 19.000 0.022 0.000 1.299 182 A HN 1.213 nan 8.150 nan 0.000 0.407 183 Y N 2.117 122.436 120.300 0.031 0.000 2.613 183 Y HA 0.339 4.889 4.550 0.001 0.000 0.354 183 Y C -0.246 175.702 175.900 0.079 0.000 1.063 183 Y CA -0.816 57.337 58.100 0.087 0.000 1.384 183 Y CB 0.299 38.828 38.460 0.114 0.000 1.199 183 Y HN 0.586 nan 8.280 nan 0.000 0.517 184 D N 5.836 126.206 120.400 -0.050 0.000 2.500 184 D HA -0.005 4.635 4.640 0.001 0.000 0.219 184 D C 0.641 176.744 176.300 -0.327 0.000 1.137 184 D CA -0.391 53.472 54.000 -0.228 0.000 0.946 184 D CB -0.185 40.596 40.800 -0.032 0.000 1.022 184 D HN 0.644 nan 8.370 nan 0.000 0.518 185 Y N 1.718 121.652 120.300 -0.610 0.000 2.333 185 Y HA -0.076 4.475 4.550 0.001 0.000 0.290 185 Y C 1.266 177.111 175.900 -0.092 0.000 1.144 185 Y CA 0.308 58.113 58.100 -0.492 0.000 1.228 185 Y CB -0.379 37.731 38.460 -0.584 0.000 0.985 185 Y HN 0.201 nan 8.280 nan 0.000 0.542 186 L N 0.996 122.147 121.223 -0.120 0.000 2.131 186 L HA 0.088 4.429 4.340 0.001 0.000 0.206 186 L C 2.666 179.509 176.870 -0.045 0.000 1.087 186 L CA 1.260 56.085 54.840 -0.024 0.000 0.767 186 L CB -1.736 40.246 42.059 -0.128 0.000 0.917 186 L HN 0.428 nan 8.230 nan 0.000 0.441 187 A N -0.788 121.997 122.820 -0.057 0.000 1.933 187 A HA -0.236 4.085 4.320 0.001 0.000 0.218 187 A C 2.328 179.814 177.584 -0.162 0.000 1.175 187 A CA 1.644 53.694 52.037 0.022 0.000 0.628 187 A CB -0.477 18.635 19.000 0.187 0.000 0.814 187 A HN 0.484 nan 8.150 nan 0.000 0.444 188 E N -0.250 119.702 120.200 -0.414 0.000 2.077 188 E HA -0.174 4.176 4.350 0.001 0.000 0.193 188 E C 1.963 178.434 176.600 -0.215 0.000 0.989 188 E CA 1.021 56.907 56.400 -0.857 0.000 0.800 188 E CB -0.205 29.215 29.700 -0.467 0.000 0.746 188 E HN 0.595 nan 8.360 nan 0.000 0.452 189 L N 1.038 122.273 121.223 0.020 0.000 2.042 189 L HA -0.228 4.112 4.340 0.001 0.000 0.210 189 L C 1.774 178.733 176.870 0.148 0.000 1.076 189 L CA 1.756 56.685 54.840 0.148 0.000 0.749 189 L CB -0.354 41.742 42.059 0.063 0.000 0.893 189 L HN 0.224 nan 8.230 nan 0.000 0.432 190 D N -1.134 119.304 120.400 0.064 0.000 2.117 190 D HA -0.257 4.384 4.640 0.001 0.000 0.197 190 D C 1.834 178.222 176.300 0.145 0.000 0.987 190 D CA 1.371 55.424 54.000 0.089 0.000 0.829 190 D CB -0.302 40.532 40.800 0.058 0.000 0.961 190 D HN 0.436 nan 8.370 nan 0.000 0.460 191 Y N 1.681 121.960 120.300 -0.034 0.000 2.200 191 Y HA -0.153 4.398 4.550 0.001 0.000 0.290 191 Y C 2.328 178.234 175.900 0.010 0.000 1.137 191 Y CA 1.729 59.826 58.100 -0.005 0.000 1.163 191 Y CB -0.213 38.198 38.460 -0.082 0.000 0.988 191 Y HN -0.055 nan 8.280 nan 0.000 0.518 192 A N 0.075 122.998 122.820 0.171 0.000 1.892 192 A HA -0.241 4.080 4.320 0.001 0.000 0.218 192 A C 2.097 179.652 177.584 -0.049 0.000 1.188 192 A CA 1.976 54.055 52.037 0.070 0.000 0.631 192 A CB -1.543 17.534 19.000 0.128 0.000 0.822 192 A HN 0.565 nan 8.150 nan 0.000 0.447 193 F N -0.105 119.821 119.950 -0.040 0.000 2.234 193 F HA -0.128 4.400 4.527 0.001 0.000 0.299 193 F C 2.063 177.795 175.800 -0.114 0.000 1.087 193 F CA 1.733 59.690 58.000 -0.072 0.000 1.340 193 F CB -0.283 38.681 39.000 -0.060 0.000 1.031 193 F HN 0.375 nan 8.300 nan 0.000 0.500 194 D N -0.029 120.399 120.400 0.046 0.000 2.123 194 D HA -0.205 4.436 4.640 0.001 0.000 0.196 194 D C 2.150 178.375 176.300 -0.126 0.000 0.992 194 D CA 0.988 54.961 54.000 -0.045 0.000 0.833 194 D CB -0.129 40.614 40.800 -0.094 0.000 0.954 194 D HN 0.134 nan 8.370 nan 0.000 0.455 195 L N 0.326 121.431 121.223 -0.197 0.000 2.046 195 L HA -0.090 4.250 4.340 0.001 0.000 0.208 195 L C 1.976 178.700 176.870 -0.242 0.000 1.077 195 L CA 1.362 56.077 54.840 -0.208 0.000 0.747 195 L CB -0.583 41.348 42.059 -0.214 0.000 0.896 195 L HN 0.170 nan 8.230 nan 0.000 0.432 196 I N -0.075 120.307 120.570 -0.313 0.000 2.163 196 I HA -0.292 3.879 4.170 0.001 0.000 0.243 196 I C 2.176 178.065 176.117 -0.379 0.000 1.085 196 I CA 1.428 62.428 61.300 -0.500 0.000 1.347 196 I CB -1.342 36.301 38.000 -0.595 0.000 1.044 196 I HN 0.320 nan 8.210 nan 0.000 0.408 197 D N 0.609 120.893 120.400 -0.193 0.000 2.149 197 D HA -0.174 4.467 4.640 0.001 0.000 0.198 197 D C 2.323 178.550 176.300 -0.122 0.000 0.990 197 D CA 1.094 55.026 54.000 -0.113 0.000 0.839 197 D CB -0.192 40.591 40.800 -0.028 0.000 0.948 197 D HN 0.366 nan 8.370 nan 0.000 0.460 198 R N 0.077 120.501 120.500 -0.126 0.000 2.189 198 R HA 0.016 4.357 4.340 0.001 0.000 0.218 198 R C 2.131 178.376 176.300 -0.091 0.000 1.074 198 R CA 0.635 56.681 56.100 -0.091 0.000 0.991 198 R CB 0.055 30.309 30.300 -0.078 0.000 0.883 198 R HN 0.332 nan 8.270 nan 0.000 0.457 199 Q N -0.098 119.605 119.800 -0.162 0.000 2.339 199 Q HA 0.078 4.419 4.340 0.001 0.000 0.205 199 Q C 0.745 176.711 176.000 -0.056 0.000 0.925 199 Q CA 0.003 55.749 55.803 -0.095 0.000 0.898 199 Q CB 0.393 29.067 28.738 -0.108 0.000 1.013 199 Q HN 0.036 nan 8.270 nan 0.000 0.504 200 S N 0.800 116.382 115.700 -0.197 0.000 2.558 200 S HA -0.049 4.422 4.470 0.001 0.000 0.287 200 S C 1.039 175.648 174.600 0.014 0.000 1.321 200 S CA 0.181 58.331 58.200 -0.084 0.000 1.048 200 S CB 0.620 63.735 63.200 -0.141 0.000 0.844 200 S HN 0.404 nan 8.310 nan 0.000 0.512 201 S N 2.618 118.346 115.700 0.048 0.000 2.605 201 S HA 0.359 4.829 4.470 0.001 0.000 0.217 201 S C 1.222 175.825 174.600 0.005 0.000 0.958 201 S CA 0.254 58.484 58.200 0.050 0.000 0.919 201 S CB -0.245 63.019 63.200 0.106 0.000 0.780 201 S HN 1.984 nan 8.310 nan 0.000 0.507 202 G N 1.769 110.550 108.800 -0.031 0.000 2.142 202 G HA2 -0.197 3.763 3.960 0.001 0.000 0.225 202 G HA3 -0.197 3.763 3.960 0.001 0.000 0.225 202 G C -0.002 174.851 174.900 -0.078 0.000 1.015 202 G CA -0.030 45.046 45.100 -0.039 0.000 0.716 202 G HN 0.527 nan 8.290 nan 0.000 0.508 203 N N 0.142 118.742 118.700 -0.167 0.000 2.497 203 N HA 0.193 4.934 4.740 0.001 0.000 0.284 203 N C 0.467 175.812 175.510 -0.275 0.000 1.459 203 N CA -0.241 52.633 53.050 -0.293 0.000 0.899 203 N CB 0.509 38.577 38.487 -0.698 0.000 1.316 203 N HN 0.388 nan 8.380 nan 0.000 0.500 204 L N 1.122 122.269 121.223 -0.127 0.000 2.500 204 L HA 0.122 4.463 4.340 0.001 0.000 0.272 204 L C 1.474 178.325 176.870 -0.032 0.000 1.149 204 L CA -0.096 54.711 54.840 -0.056 0.000 0.897 204 L CB 0.697 42.756 42.059 -0.001 0.000 1.178 204 L HN 0.155 nan 8.230 nan 0.000 0.473 205 A N 3.403 126.210 122.820 -0.021 0.000 1.963 205 A HA 0.697 5.018 4.320 0.001 0.000 0.207 205 A C 0.802 178.401 177.584 0.026 0.000 1.243 205 A CA 0.861 52.899 52.037 0.002 0.000 0.728 205 A CB 0.282 19.288 19.000 0.010 0.000 0.895 205 A HN 0.726 nan 8.150 nan 0.000 0.467 206 A N -1.934 120.909 122.820 0.039 0.000 2.586 206 A HA 0.611 4.932 4.320 0.001 0.000 0.290 206 A C -1.800 175.844 177.584 0.100 0.000 1.086 206 A CA -0.404 51.672 52.037 0.064 0.000 0.665 206 A CB 0.390 19.403 19.000 0.022 0.000 1.279 206 A HN 0.713 nan 8.150 nan 0.000 0.423 207 F N 1.158 121.094 119.950 -0.023 0.000 2.520 207 F HA 0.732 5.259 4.527 0.001 0.000 0.322 207 F C -0.560 175.184 175.800 -0.093 0.000 1.103 207 F CA -1.053 56.915 58.000 -0.052 0.000 0.926 207 F CB 1.414 40.405 39.000 -0.014 0.000 1.154 207 F HN 0.573 nan 8.300 nan 0.000 0.453 208 I N 5.249 125.720 120.570 -0.164 0.000 2.474 208 I HA 0.824 4.995 4.170 0.001 0.000 0.294 208 I C -1.606 174.504 176.117 -0.012 0.000 1.005 208 I CA -0.358 60.866 61.300 -0.126 0.000 1.113 208 I CB 1.161 38.933 38.000 -0.380 0.000 1.289 208 I HN 0.772 nan 8.210 nan 0.000 0.436 209 A N 6.342 129.267 122.820 0.173 0.000 2.574 209 A HA 0.615 4.935 4.320 0.001 0.000 0.297 209 A C -1.325 176.518 177.584 0.432 0.000 1.062 209 A CA -0.696 51.580 52.037 0.398 0.000 0.686 209 A CB 1.435 20.721 19.000 0.476 0.000 1.285 209 A HN 0.741 nan 8.150 nan 0.000 0.403 210 E N 1.855 122.365 120.200 0.516 0.000 2.216 210 E HA 0.368 4.719 4.350 0.001 0.000 0.279 210 E C -1.879 174.891 176.600 0.284 0.000 0.997 210 E CA -1.709 54.899 56.400 0.346 0.000 0.817 210 E CB 1.530 31.392 29.700 0.269 0.000 1.096 210 E HN 0.364 nan 8.360 nan 0.000 0.393 211 P HA -0.057 nan 4.420 nan 0.000 0.217 211 P C -0.196 177.155 177.300 0.085 0.000 1.151 211 P CA 1.134 64.323 63.100 0.149 0.000 0.828 211 P CB 0.408 32.181 31.700 0.121 0.000 0.788 212 I N -0.753 119.857 120.570 0.068 0.000 2.439 212 I HA 0.162 4.333 4.170 0.001 0.000 0.285 212 I C -0.724 175.399 176.117 0.010 0.000 1.021 212 I CA -1.207 60.099 61.300 0.009 0.000 1.091 212 I CB 1.991 39.990 38.000 -0.001 0.000 1.242 212 I HN -0.320 nan 8.210 nan 0.000 0.439 213 L N 5.499 126.699 121.223 -0.037 0.000 2.485 213 L HA 0.125 4.466 4.340 0.001 0.000 0.279 213 L C 1.305 178.142 176.870 -0.056 0.000 1.124 213 L CA 0.803 55.625 54.840 -0.030 0.000 0.888 213 L CB 0.967 42.968 42.059 -0.098 0.000 1.217 213 L HN 0.650 nan 8.230 nan 0.000 0.464 214 S N 1.420 117.102 115.700 -0.031 0.000 2.327 214 S HA -0.111 4.359 4.470 0.001 0.000 0.213 214 S C 2.018 176.566 174.600 -0.086 0.000 1.032 214 S CA 1.224 59.390 58.200 -0.057 0.000 0.960 214 S CB -0.005 63.165 63.200 -0.050 0.000 0.900 214 S HN 0.809 nan 8.310 nan 0.000 0.469 215 S N 0.564 116.207 115.700 -0.095 0.000 2.447 215 S HA 0.071 4.542 4.470 0.001 0.000 0.233 215 S C 1.945 176.500 174.600 -0.075 0.000 1.006 215 S CA 1.205 59.325 58.200 -0.133 0.000 0.957 215 S CB -1.040 62.032 63.200 -0.214 0.000 0.773 215 S HN 0.585 nan 8.310 nan 0.000 0.507 216 G N 0.707 109.476 108.800 -0.053 0.000 2.625 216 G HA2 0.371 4.332 3.960 0.001 0.000 0.214 216 G HA3 0.371 4.332 3.960 0.001 0.000 0.214 216 G C 0.959 175.763 174.900 -0.159 0.000 1.132 216 G CA 0.168 45.222 45.100 -0.076 0.000 0.782 216 G HN 1.521 nan 8.290 nan 0.000 0.538 217 G N 0.204 108.914 108.800 -0.151 0.000 2.157 217 G HA2 -0.093 3.867 3.960 0.001 0.000 0.118 217 G HA3 -0.093 3.867 3.960 0.001 0.000 0.118 217 G C 0.360 175.159 174.900 -0.168 0.000 1.032 217 G CA -0.384 44.615 45.100 -0.169 0.000 0.697 217 G HN 0.803 nan 8.290 nan 0.000 0.495 218 I N -0.485 120.005 120.570 -0.132 0.000 7.154 218 I HA -0.209 3.962 4.170 0.001 0.000 0.126 218 I C 0.444 176.483 176.117 -0.129 0.000 1.808 218 I CA 0.802 62.041 61.300 -0.101 0.000 2.123 218 I CB -2.012 35.949 38.000 -0.064 0.000 3.552 218 I HN 0.415 nan 8.210 nan 0.000 0.195 219 I N 2.461 122.922 120.570 -0.182 0.000 2.321 219 I HA 0.295 4.466 4.170 0.001 0.000 0.291 219 I C 0.896 176.924 176.117 -0.147 0.000 0.998 219 I CA -0.272 60.897 61.300 -0.219 0.000 1.227 219 I CB 1.674 39.446 38.000 -0.380 0.000 1.368 219 I HN 0.269 nan 8.210 nan 0.000 0.466 220 E N 6.452 126.594 120.200 -0.096 0.000 2.197 220 E HA 0.398 4.748 4.350 0.001 0.000 0.281 220 E C -0.884 175.629 176.600 -0.145 0.000 0.995 220 E CA -0.783 55.567 56.400 -0.083 0.000 0.808 220 E CB 1.314 30.990 29.700 -0.040 0.000 1.093 220 E HN 0.495 nan 8.360 nan 0.000 0.394 221 L N 6.984 128.115 121.223 -0.153 0.000 2.418 221 L HA 0.205 4.546 4.340 0.001 0.000 0.274 221 L C -1.760 174.994 176.870 -0.192 0.000 1.135 221 L CA -1.605 53.085 54.840 -0.250 0.000 0.870 221 L CB 0.036 42.037 42.059 -0.097 0.000 1.154 221 L HN 0.403 nan 8.230 nan 0.000 0.462 222 P HA 0.052 nan 4.420 nan 0.000 0.274 222 P C -0.795 176.448 177.300 -0.095 0.000 1.256 222 P CA -0.591 62.326 63.100 -0.304 0.000 0.795 222 P CB 0.529 31.802 31.700 -0.712 0.000 1.038 223 D N -0.266 120.159 120.400 0.042 0.000 2.662 223 D HA 0.243 4.883 4.640 0.001 0.000 0.237 223 D C 1.565 178.006 176.300 0.234 0.000 1.154 223 D CA 2.482 56.568 54.000 0.144 0.000 0.861 223 D CB -0.684 40.212 40.800 0.160 0.000 1.146 223 D HN 0.694 nan 8.370 nan 0.000 0.518 224 G N 2.380 111.281 108.800 0.169 0.000 2.225 224 G HA2 -0.432 3.529 3.960 0.001 0.000 0.254 224 G HA3 -0.432 3.529 3.960 0.001 0.000 0.254 224 G C 0.954 175.958 174.900 0.173 0.000 0.988 224 G CA 0.428 45.621 45.100 0.156 0.000 0.625 224 G HN 0.571 nan 8.290 nan 0.000 0.527 225 Y N 0.575 120.938 120.300 0.104 0.000 2.145 225 Y HA 0.050 4.600 4.550 0.001 0.000 0.286 225 Y C 2.860 178.782 175.900 0.036 0.000 1.145 225 Y CA 2.995 61.144 58.100 0.082 0.000 1.148 225 Y CB -0.283 38.161 38.460 -0.026 0.000 0.981 225 Y HN 0.354 nan 8.280 nan 0.000 0.507 226 M N 0.140 119.846 119.600 0.178 0.000 2.117 226 M HA -0.145 4.336 4.480 0.001 0.000 0.262 226 M C 2.230 178.502 176.300 -0.046 0.000 1.065 226 M CA 2.196 57.548 55.300 0.086 0.000 1.114 226 M CB -0.472 32.200 32.600 0.120 0.000 1.361 226 M HN 0.282 nan 8.290 nan 0.000 0.408 227 A N 0.060 122.862 122.820 -0.029 0.000 1.877 227 A HA -0.024 4.297 4.320 0.001 0.000 0.216 227 A C 2.387 179.899 177.584 -0.120 0.000 1.186 227 A CA 2.091 54.093 52.037 -0.058 0.000 0.620 227 A CB -1.517 17.466 19.000 -0.028 0.000 0.822 227 A HN 0.675 nan 8.150 nan 0.000 0.443 228 A N -0.522 122.208 122.820 -0.149 0.000 1.908 228 A HA -0.072 4.249 4.320 0.001 0.000 0.218 228 A C 2.142 179.530 177.584 -0.326 0.000 1.181 228 A CA 1.847 53.752 52.037 -0.219 0.000 0.627 228 A CB -0.645 18.219 19.000 -0.228 0.000 0.818 228 A HN 0.788 nan 8.150 nan 0.000 0.445 229 L N -0.127 120.857 121.223 -0.399 0.000 2.046 229 L HA -0.123 4.218 4.340 0.001 0.000 0.208 229 L C 2.223 178.888 176.870 -0.342 0.000 1.077 229 L CA 2.814 57.386 54.840 -0.446 0.000 0.747 229 L CB -0.711 41.087 42.059 -0.435 0.000 0.896 229 L HN 0.347 nan 8.230 nan 0.000 0.432 230 K N -0.138 120.124 120.400 -0.230 0.000 2.063 230 K HA -0.164 4.156 4.320 0.001 0.000 0.208 230 K C 2.256 178.749 176.600 -0.178 0.000 1.048 230 K CA 1.638 57.825 56.287 -0.166 0.000 0.928 230 K CB -0.230 32.206 32.500 -0.106 0.000 0.713 230 K HN 0.320 nan 8.250 nan 0.000 0.442 231 R N 0.198 120.581 120.500 -0.195 0.000 2.096 231 R HA -0.046 4.295 4.340 0.001 0.000 0.235 231 R C 2.148 178.290 176.300 -0.262 0.000 1.127 231 R CA 1.303 57.288 56.100 -0.191 0.000 0.968 231 R CB -0.154 30.043 30.300 -0.171 0.000 0.861 231 R HN 0.116 nan 8.270 nan 0.000 0.440 232 K N 0.277 120.438 120.400 -0.398 0.000 2.103 232 K HA -0.149 4.172 4.320 0.001 0.000 0.207 232 K C 2.172 178.493 176.600 -0.465 0.000 1.048 232 K CA 1.295 57.204 56.287 -0.629 0.000 0.930 232 K CB -0.343 31.451 32.500 -1.176 0.000 0.716 232 K HN 0.267 nan 8.250 nan 0.000 0.444 233 C N 0.997 120.117 119.300 -0.300 0.000 2.462 233 C HA -0.057 4.403 4.460 0.001 0.000 0.278 233 C C 2.583 177.516 174.990 -0.095 0.000 1.253 233 C CA 0.571 59.520 59.018 -0.115 0.000 1.713 233 C CB -0.694 27.011 27.740 -0.058 0.000 2.049 233 C HN 0.537 nan 8.230 nan 0.000 0.477 234 E N 0.937 121.071 120.200 -0.110 0.000 2.085 234 E HA -0.204 4.147 4.350 0.001 0.000 0.194 234 E C 2.292 178.842 176.600 -0.083 0.000 0.994 234 E CA 1.425 57.775 56.400 -0.083 0.000 0.801 234 E CB -0.269 29.380 29.700 -0.085 0.000 0.743 234 E HN 0.665 nan 8.360 nan 0.000 0.453 235 A N 0.940 123.691 122.820 -0.114 0.000 2.019 235 A HA -0.148 4.172 4.320 0.001 0.000 0.219 235 A C 1.931 179.470 177.584 -0.075 0.000 1.164 235 A CA 1.190 53.167 52.037 -0.100 0.000 0.644 235 A CB -0.208 18.713 19.000 -0.132 0.000 0.805 235 A HN 0.053 nan 8.150 nan 0.000 0.449 236 R N -1.620 118.837 120.500 -0.071 0.000 2.334 236 R HA 0.256 4.597 4.340 0.001 0.000 0.216 236 R C 1.035 177.326 176.300 -0.015 0.000 0.905 236 R CA 0.517 56.600 56.100 -0.029 0.000 1.064 236 R CB 0.102 30.409 30.300 0.012 0.000 1.046 236 R HN 0.627 nan 8.270 nan 0.000 0.508 237 G N 1.423 110.209 108.800 -0.024 0.000 2.176 237 G HA2 -0.300 3.660 3.960 0.001 0.000 0.252 237 G HA3 -0.300 3.660 3.960 0.001 0.000 0.252 237 G C 0.002 174.901 174.900 -0.003 0.000 1.024 237 G CA 0.178 45.269 45.100 -0.016 0.000 0.755 237 G HN 0.176 nan 8.290 nan 0.000 0.507 238 M N -0.219 119.385 119.600 0.006 0.000 2.537 238 M HA 0.626 5.106 4.480 0.001 0.000 0.324 238 M C 0.804 177.116 176.300 0.021 0.000 1.187 238 M CA -0.783 54.534 55.300 0.029 0.000 0.993 238 M CB 1.558 34.205 32.600 0.077 0.000 1.666 238 M HN 0.030 nan 8.290 nan 0.000 0.461 239 L N 1.995 123.233 121.223 0.025 0.000 2.421 239 L HA 0.515 4.856 4.340 0.001 0.000 0.263 239 L C -0.700 176.196 176.870 0.044 0.000 1.122 239 L CA -0.970 53.879 54.840 0.014 0.000 0.804 239 L CB 0.766 42.822 42.059 -0.004 0.000 1.150 239 L HN 0.494 nan 8.230 nan 0.000 0.457 240 L N 3.014 124.253 121.223 0.026 0.000 2.298 240 L HA 0.518 4.858 4.340 0.001 0.000 0.284 240 L C -0.596 176.292 176.870 0.029 0.000 1.013 240 L CA 0.117 54.985 54.840 0.047 0.000 0.824 240 L CB 0.956 43.021 42.059 0.010 0.000 1.221 240 L HN 0.335 nan 8.230 nan 0.000 0.418 241 I N 6.150 126.748 120.570 0.045 0.000 2.339 241 I HA 0.337 4.508 4.170 0.001 0.000 0.290 241 I C -0.638 175.502 176.117 0.039 0.000 0.994 241 I CA -0.455 60.850 61.300 0.008 0.000 1.191 241 I CB 1.445 39.426 38.000 -0.033 0.000 1.343 241 I HN 0.428 nan 8.210 nan 0.000 0.458 242 L N 5.619 126.863 121.223 0.035 0.000 2.287 242 L HA 0.357 4.698 4.340 0.001 0.000 0.287 242 L C -0.571 176.345 176.870 0.077 0.000 1.022 242 L CA -0.496 54.393 54.840 0.081 0.000 0.814 242 L CB 1.594 43.696 42.059 0.071 0.000 1.217 242 L HN 0.547 nan 8.230 nan 0.000 0.420 243 D N 3.917 124.400 120.400 0.137 0.000 2.396 243 D HA 0.098 4.738 4.640 0.001 0.000 0.225 243 D C 0.171 176.573 176.300 0.171 0.000 1.121 243 D CA -0.022 54.075 54.000 0.161 0.000 0.853 243 D CB 0.930 41.907 40.800 0.297 0.000 1.043 243 D HN 0.453 nan 8.370 nan 0.000 0.500 244 E N 2.612 122.891 120.200 0.132 0.000 2.496 244 E HA 0.148 4.498 4.350 0.001 0.000 0.202 244 E C 1.304 177.982 176.600 0.130 0.000 1.021 244 E CA -0.322 56.164 56.400 0.143 0.000 1.015 244 E CB 0.768 30.570 29.700 0.171 0.000 1.102 244 E HN 0.578 nan 8.360 nan 0.000 0.452 245 A N 1.109 124.003 122.820 0.123 0.000 1.927 245 A HA -0.278 4.042 4.320 0.001 0.000 0.220 245 A C 2.037 179.665 177.584 0.073 0.000 1.185 245 A CA 1.565 53.663 52.037 0.101 0.000 0.639 245 A CB -0.112 18.957 19.000 0.116 0.000 0.820 245 A HN 0.248 nan 8.150 nan 0.000 0.451 246 Q N -1.871 117.970 119.800 0.068 0.000 2.392 246 Q HA -0.004 4.336 4.340 0.001 0.000 0.219 246 Q C 1.896 177.914 176.000 0.029 0.000 0.895 246 Q CA 1.086 56.908 55.803 0.033 0.000 0.929 246 Q CB 0.151 28.898 28.738 0.014 0.000 1.077 246 Q HN 0.861 nan 8.270 nan 0.000 0.532 247 T N -2.300 112.289 114.554 0.059 0.000 3.051 247 T HA 0.144 4.495 4.350 0.001 0.000 0.255 247 T C 1.084 175.819 174.700 0.059 0.000 1.085 247 T CA 0.314 62.446 62.100 0.053 0.000 1.109 247 T CB 0.079 68.993 68.868 0.076 0.000 0.921 247 T HN 0.136 nan 8.240 nan 0.000 0.488 248 G N 1.022 109.886 108.800 0.107 0.000 2.616 248 G HA2 0.426 4.386 3.960 0.001 0.000 0.268 248 G HA3 0.426 4.386 3.960 0.001 0.000 0.268 248 G C 0.152 175.023 174.900 -0.050 0.000 1.213 248 G CA -0.082 45.100 45.100 0.137 0.000 0.926 248 G HN 0.886 nan 8.290 nan 0.000 0.523 249 V N -0.351 119.405 119.914 -0.262 0.000 5.961 249 V HA -0.179 3.942 4.120 0.001 0.000 0.311 249 V C 1.854 177.813 176.094 -0.225 0.000 0.552 249 V CA 1.578 63.710 62.300 -0.280 0.000 0.641 249 V CB -2.112 29.647 31.823 -0.108 0.000 0.286 249 V HN 2.790 nan 8.190 nan 0.000 0.939 250 G N 0.061 108.701 108.800 -0.266 0.000 2.299 250 G HA2 -0.423 3.537 3.960 0.001 0.000 0.237 250 G HA3 -0.423 3.537 3.960 0.001 0.000 0.237 250 G C 0.819 175.646 174.900 -0.121 0.000 1.027 250 G CA 1.104 46.095 45.100 -0.181 0.000 0.619 250 G HN 0.981 nan 8.290 nan 0.000 0.513 251 R N 0.988 121.427 120.500 -0.102 0.000 2.140 251 R HA -0.152 4.188 4.340 0.001 0.000 0.250 251 R C 2.554 178.813 176.300 -0.069 0.000 1.150 251 R CA 2.900 58.952 56.100 -0.080 0.000 0.966 251 R CB -0.594 29.668 30.300 -0.065 0.000 0.869 251 R HN 0.727 nan 8.270 nan 0.000 0.445 252 T N -3.858 110.662 114.554 -0.057 0.000 3.188 252 T HA 0.310 4.660 4.350 0.001 0.000 0.250 252 T C 1.100 175.775 174.700 -0.042 0.000 1.077 252 T CA 0.247 62.323 62.100 -0.041 0.000 0.967 252 T CB 0.811 69.668 68.868 -0.018 0.000 1.006 252 T HN 0.497 nan 8.240 nan 0.000 0.552 253 G N 1.075 109.841 108.800 -0.057 0.000 2.176 253 G HA2 -0.187 3.773 3.960 0.001 0.000 0.232 253 G HA3 -0.187 3.773 3.960 0.001 0.000 0.232 253 G C 0.200 175.068 174.900 -0.053 0.000 0.986 253 G CA 0.141 45.211 45.100 -0.051 0.000 0.643 253 G HN 1.215 nan 8.290 nan 0.000 0.522 254 T N -3.339 111.176 114.554 -0.065 0.000 2.901 254 T HA 0.648 4.998 4.350 0.001 0.000 0.293 254 T C 1.109 175.709 174.700 -0.166 0.000 1.084 254 T CA 0.106 62.161 62.100 -0.075 0.000 1.008 254 T CB 1.761 70.616 68.868 -0.022 0.000 1.170 254 T HN 0.293 nan 8.240 nan 0.000 0.509 255 M N 0.303 119.759 119.600 -0.240 0.000 2.082 255 M HA 0.239 4.719 4.480 0.001 0.000 0.258 255 M C -0.705 175.002 176.300 -0.988 0.000 1.069 255 M CA 1.274 56.233 55.300 -0.568 0.000 1.102 255 M CB -0.988 31.292 32.600 -0.532 0.000 1.336 255 M HN 0.666 nan 8.290 nan 0.000 0.404 256 F N -2.091 117.859 119.950 -0.001 0.000 2.565 256 F HA 0.575 5.102 4.527 0.001 0.000 0.313 256 F C 0.994 176.800 175.800 0.010 0.000 1.091 256 F CA -0.717 57.286 58.000 0.005 0.000 0.915 256 F CB 0.582 39.587 39.000 0.007 0.000 1.208 256 F HN -0.018 nan 8.300 nan 0.000 0.453 257 A N 0.774 123.710 122.820 0.193 0.000 1.908 257 A HA -0.222 4.099 4.320 0.001 0.000 0.218 257 A C 2.149 179.808 177.584 0.124 0.000 1.181 257 A CA 2.153 54.263 52.037 0.121 0.000 0.627 257 A CB -1.427 17.634 19.000 0.101 0.000 0.818 257 A HN 1.045 nan 8.150 nan 0.000 0.445 258 C N -1.094 118.294 119.300 0.147 0.000 2.409 258 C HA -0.130 4.331 4.460 0.001 0.000 0.284 258 C C 2.440 177.486 174.990 0.093 0.000 1.354 258 C CA 0.948 60.027 59.018 0.102 0.000 1.787 258 C CB -1.881 25.903 27.740 0.074 0.000 1.900 258 C HN 0.656 nan 8.230 nan 0.000 0.520 259 Q N 0.521 120.395 119.800 0.124 0.000 2.181 259 Q HA -0.171 4.170 4.340 0.001 0.000 0.205 259 Q C 2.615 178.654 176.000 0.065 0.000 0.980 259 Q CA 1.318 57.179 55.803 0.097 0.000 0.862 259 Q CB -0.365 28.443 28.738 0.116 0.000 0.905 259 Q HN 0.712 nan 8.270 nan 0.000 0.429 260 R N 0.952 121.489 120.500 0.062 0.000 2.081 260 R HA -0.145 4.196 4.340 0.001 0.000 0.235 260 R C 0.937 177.264 176.300 0.044 0.000 1.131 260 R CA 1.480 57.607 56.100 0.045 0.000 0.960 260 R CB 0.050 30.374 30.300 0.041 0.000 0.856 260 R HN 0.344 nan 8.270 nan 0.000 0.436 261 D N -1.088 119.343 120.400 0.051 0.000 2.349 261 D HA 0.026 4.666 4.640 0.001 0.000 0.215 261 D C 0.651 176.973 176.300 0.037 0.000 1.016 261 D CA 0.865 54.893 54.000 0.047 0.000 0.870 261 D CB 0.325 41.158 40.800 0.056 0.000 0.917 261 D HN 0.503 nan 8.370 nan 0.000 0.524 262 G N 1.444 110.266 108.800 0.037 0.000 2.249 262 G HA2 -0.264 3.697 3.960 0.001 0.000 0.273 262 G HA3 -0.264 3.697 3.960 0.001 0.000 0.273 262 G C 0.122 175.033 174.900 0.019 0.000 1.036 262 G CA 0.104 45.221 45.100 0.028 0.000 0.824 262 G HN 0.256 nan 8.290 nan 0.000 0.504 263 V N 0.694 120.621 119.914 0.023 0.000 2.444 263 V HA 0.700 4.820 4.120 0.001 0.000 0.294 263 V C 0.565 176.663 176.094 0.006 0.000 1.022 263 V CA 0.009 62.314 62.300 0.009 0.000 0.850 263 V CB 1.879 33.708 31.823 0.010 0.000 0.992 263 V HN 0.716 nan 8.190 nan 0.000 0.426 264 T N 5.987 120.536 114.554 -0.009 0.000 2.744 264 T HA 0.524 4.875 4.350 0.001 0.000 0.291 264 T C -1.846 172.837 174.700 -0.028 0.000 0.957 264 T CA -1.607 60.481 62.100 -0.020 0.000 1.002 264 T CB 1.506 70.357 68.868 -0.029 0.000 0.919 264 T HN 0.544 nan 8.240 nan 0.000 0.468 265 P HA 0.288 nan 4.420 nan 0.000 0.274 265 P C 0.145 177.420 177.300 -0.041 0.000 1.256 265 P CA -0.271 62.814 63.100 -0.026 0.000 0.795 265 P CB 0.947 32.636 31.700 -0.018 0.000 1.038 266 D N -0.264 120.114 120.400 -0.036 0.000 2.149 266 D HA 0.050 4.691 4.640 0.001 0.000 0.201 266 D C 0.748 177.010 176.300 -0.063 0.000 0.972 266 D CA 1.451 55.423 54.000 -0.047 0.000 0.835 266 D CB 0.248 41.025 40.800 -0.038 0.000 0.966 266 D HN 0.358 nan 8.370 nan 0.000 0.476 267 I N 0.591 121.125 120.570 -0.060 0.000 2.619 267 I HA 0.257 4.428 4.170 0.001 0.000 0.292 267 I C -1.138 174.935 176.117 -0.073 0.000 1.100 267 I CA -1.013 60.240 61.300 -0.079 0.000 1.043 267 I CB 2.976 40.926 38.000 -0.083 0.000 1.239 267 I HN -0.215 nan 8.210 nan 0.000 0.420 268 L N 5.477 126.642 121.223 -0.096 0.000 2.346 268 L HA 0.758 5.098 4.340 0.001 0.000 0.276 268 L C -0.212 176.608 176.870 -0.084 0.000 1.006 268 L CA 0.186 54.967 54.840 -0.098 0.000 0.817 268 L CB 2.066 44.017 42.059 -0.180 0.000 1.272 268 L HN 0.750 nan 8.230 nan 0.000 0.421 269 T N 2.944 117.473 114.554 -0.041 0.000 2.887 269 T HA 0.809 5.159 4.350 0.001 0.000 0.288 269 T C -0.602 174.110 174.700 0.019 0.000 1.021 269 T CA -0.700 61.388 62.100 -0.020 0.000 1.000 269 T CB 1.204 70.067 68.868 -0.007 0.000 1.034 269 T HN 0.580 nan 8.240 nan 0.000 0.467 270 L N 1.749 122.987 121.223 0.025 0.000 2.359 270 L HA 0.767 5.108 4.340 0.001 0.000 0.256 270 L C 0.471 177.373 176.870 0.054 0.000 1.026 270 L CA -0.909 53.968 54.840 0.061 0.000 0.828 270 L CB 2.461 44.564 42.059 0.073 0.000 1.406 270 L HN 1.057 nan 8.230 nan 0.000 0.413 271 S N -0.880 114.857 115.700 0.061 0.000 6.561 271 S HA 0.061 4.531 4.470 0.001 0.000 0.088 271 S C 1.027 175.650 174.600 0.039 0.000 1.257 271 S CA -0.344 57.885 58.200 0.049 0.000 1.327 271 S CB 0.051 63.286 63.200 0.058 0.000 1.856 271 S HN 0.483 nan 8.310 nan 0.000 0.562 272 K N 1.872 122.297 120.400 0.042 0.000 2.015 272 K HA -0.148 4.173 4.320 0.001 0.000 0.220 272 K C 2.429 179.033 176.600 0.006 0.000 1.055 272 K CA 2.504 58.805 56.287 0.023 0.000 0.951 272 K CB -1.063 31.450 32.500 0.021 0.000 0.725 272 K HN 0.776 nan 8.250 nan 0.000 0.449 273 T N -0.000 114.557 114.554 0.005 0.000 2.995 273 T HA -0.051 4.299 4.350 0.001 0.000 0.269 273 T C 1.834 176.527 174.700 -0.013 0.000 1.091 273 T CA 0.739 62.830 62.100 -0.015 0.000 1.128 273 T CB -0.143 68.713 68.868 -0.020 0.000 0.891 273 T HN 0.087 nan 8.240 nan 0.000 0.492 274 L N 2.005 123.235 121.223 0.012 0.000 2.093 274 L HA 0.356 4.697 4.340 0.001 0.000 0.208 274 L C 2.455 179.321 176.870 -0.007 0.000 1.085 274 L CA 1.915 56.763 54.840 0.013 0.000 0.755 274 L CB -1.052 41.030 42.059 0.039 0.000 0.904 274 L HN 0.375 nan 8.230 nan 0.000 0.435 275 G N -1.892 106.904 108.800 -0.006 0.000 2.880 275 G HA2 0.209 4.169 3.960 0.001 0.000 0.209 275 G HA3 0.209 4.169 3.960 0.001 0.000 0.209 275 G C 1.001 175.887 174.900 -0.023 0.000 1.157 275 G CA 0.356 45.447 45.100 -0.014 0.000 0.779 275 G HN 0.814 nan 8.290 nan 0.000 0.539 276 A N -1.228 121.575 122.820 -0.029 0.000 2.748 276 A HA 0.157 4.477 4.320 0.001 0.000 0.297 276 A C 1.902 179.464 177.584 -0.036 0.000 1.508 276 A CA 1.955 53.965 52.037 -0.046 0.000 0.799 276 A CB -1.461 17.501 19.000 -0.063 0.000 1.011 276 A HN 2.192 nan 8.150 nan 0.000 0.500 277 G N -3.226 105.563 108.800 -0.018 0.000 2.481 277 G HA2 0.035 3.996 3.960 0.001 0.000 0.200 277 G HA3 0.035 3.996 3.960 0.001 0.000 0.200 277 G C 0.104 175.010 174.900 0.010 0.000 1.012 277 G CA 0.246 45.346 45.100 0.001 0.000 0.676 277 G HN 1.407 nan 8.290 nan 0.000 0.488 278 L N 2.562 123.785 121.223 0.001 0.000 2.416 278 L HA 0.687 5.027 4.340 0.001 0.000 0.262 278 L C -1.975 174.889 176.870 -0.009 0.000 1.093 278 L CA -2.033 52.805 54.840 -0.004 0.000 0.801 278 L CB 1.090 43.143 42.059 -0.010 0.000 1.191 278 L HN -0.040 nan 8.230 nan 0.000 0.459 279 P HA 0.335 nan 4.420 nan 0.000 0.274 279 P C -1.437 175.852 177.300 -0.020 0.000 1.504 279 P CA -0.216 62.873 63.100 -0.019 0.000 1.011 279 P CB 0.766 32.442 31.700 -0.040 0.000 1.366 280 L N 2.913 124.133 121.223 -0.004 0.000 2.445 280 L HA 0.890 5.231 4.340 0.001 0.000 0.262 280 L C -1.428 175.450 176.870 0.014 0.000 0.974 280 L CA -0.808 54.032 54.840 0.000 0.000 0.822 280 L CB 2.095 44.149 42.059 -0.009 0.000 1.339 280 L HN 0.401 nan 8.230 nan 0.000 0.409 281 A N 2.791 125.622 122.820 0.019 0.000 2.588 281 A HA 1.082 5.403 4.320 0.001 0.000 0.290 281 A C -1.554 176.037 177.584 0.011 0.000 1.136 281 A CA -0.074 51.977 52.037 0.023 0.000 0.681 281 A CB 1.513 20.533 19.000 0.033 0.000 1.282 281 A HN 1.870 nan 8.150 nan 0.000 0.421 282 A N -0.470 122.351 122.820 0.002 0.000 2.601 282 A HA 0.749 5.069 4.320 0.001 0.000 0.291 282 A C -1.104 176.454 177.584 -0.042 0.000 1.075 282 A CA 0.167 52.193 52.037 -0.020 0.000 0.671 282 A CB 0.618 19.610 19.000 -0.014 0.000 1.277 282 A HN 2.256 nan 8.150 nan 0.000 0.417 283 I N -1.214 119.316 120.570 -0.066 0.000 2.689 283 I HA 0.909 5.080 4.170 0.001 0.000 0.299 283 I C -1.393 174.669 176.117 -0.091 0.000 1.059 283 I CA -1.109 60.138 61.300 -0.087 0.000 1.055 283 I CB 2.210 40.140 38.000 -0.116 0.000 1.243 283 I HN 0.349 nan 8.210 nan 0.000 0.425 284 V N 4.021 123.870 119.914 -0.108 0.000 2.588 284 V HA 0.668 4.788 4.120 0.001 0.000 0.304 284 V C -0.089 175.935 176.094 -0.117 0.000 1.042 284 V CA -0.256 61.975 62.300 -0.114 0.000 0.877 284 V CB 1.610 33.349 31.823 -0.140 0.000 0.996 284 V HN 0.977 nan 8.190 nan 0.000 0.425 285 T N 1.690 116.180 114.554 -0.107 0.000 2.804 285 T HA 0.576 4.927 4.350 0.001 0.000 0.290 285 T C -0.111 174.538 174.700 -0.085 0.000 1.099 285 T CA 0.078 62.117 62.100 -0.102 0.000 1.011 285 T CB 1.987 70.784 68.868 -0.118 0.000 1.291 285 T HN 1.035 nan 8.240 nan 0.000 0.523 286 S N 0.892 116.547 115.700 -0.076 0.000 2.601 286 S HA 0.566 5.037 4.470 0.001 0.000 0.271 286 S C 1.667 176.233 174.600 -0.056 0.000 1.305 286 S CA -0.011 58.153 58.200 -0.060 0.000 1.022 286 S CB 0.899 64.068 63.200 -0.052 0.000 0.940 286 S HN 0.984 nan 8.310 nan 0.000 0.525 287 A N 2.751 125.544 122.820 -0.045 0.000 1.908 287 A HA 0.101 4.422 4.320 0.001 0.000 0.218 287 A C 2.430 179.995 177.584 -0.031 0.000 1.181 287 A CA 1.930 53.944 52.037 -0.037 0.000 0.627 287 A CB -1.719 17.263 19.000 -0.029 0.000 0.818 287 A HN 1.434 nan 8.150 nan 0.000 0.445 288 A N -0.190 122.613 122.820 -0.029 0.000 1.908 288 A HA -0.126 4.194 4.320 0.001 0.000 0.218 288 A C 2.151 179.719 177.584 -0.027 0.000 1.181 288 A CA 1.651 53.675 52.037 -0.022 0.000 0.627 288 A CB -0.594 18.393 19.000 -0.022 0.000 0.818 288 A HN 0.511 nan 8.150 nan 0.000 0.445 289 I N -0.855 119.689 120.570 -0.044 0.000 2.252 289 I HA -0.197 3.973 4.170 0.001 0.000 0.245 289 I C 2.662 178.736 176.117 -0.071 0.000 1.102 289 I CA 1.434 62.699 61.300 -0.059 0.000 1.385 289 I CB -0.247 37.708 38.000 -0.076 0.000 1.064 289 I HN 0.415 nan 8.210 nan 0.000 0.414 290 E N 1.046 121.202 120.200 -0.074 0.000 2.085 290 E HA -0.245 4.106 4.350 0.001 0.000 0.194 290 E C 1.963 178.560 176.600 -0.006 0.000 0.994 290 E CA 1.361 57.717 56.400 -0.074 0.000 0.801 290 E CB 0.025 29.683 29.700 -0.071 0.000 0.743 290 E HN 0.407 nan 8.360 nan 0.000 0.453 291 E N 0.357 120.563 120.200 0.010 0.000 2.085 291 E HA -0.186 4.164 4.350 0.001 0.000 0.194 291 E C 2.194 178.841 176.600 0.080 0.000 0.994 291 E CA 0.631 57.068 56.400 0.060 0.000 0.801 291 E CB -0.251 29.471 29.700 0.037 0.000 0.743 291 E HN 0.060 nan 8.360 nan 0.000 0.453 292 R N 0.721 121.240 120.500 0.032 0.000 2.081 292 R HA -0.018 4.322 4.340 0.001 0.000 0.235 292 R C 2.124 178.444 176.300 0.034 0.000 1.131 292 R CA 1.335 57.449 56.100 0.024 0.000 0.960 292 R CB -0.833 29.469 30.300 0.003 0.000 0.856 292 R HN 0.159 nan 8.270 nan 0.000 0.436 293 A N -0.365 122.465 122.820 0.015 0.000 1.940 293 A HA -0.223 4.098 4.320 0.001 0.000 0.219 293 A C 2.101 179.768 177.584 0.139 0.000 1.176 293 A CA 1.955 54.007 52.037 0.025 0.000 0.631 293 A CB -0.761 18.130 19.000 -0.182 0.000 0.814 293 A HN 0.512 nan 8.150 nan 0.000 0.446 294 H N 0.390 119.487 119.070 0.045 0.000 2.321 294 H HA -0.089 4.468 4.556 0.001 0.000 0.300 294 H C 1.892 177.260 175.328 0.066 0.000 1.087 294 H CA 2.068 58.163 56.048 0.078 0.000 1.319 294 H CB -0.236 29.556 29.762 0.052 0.000 1.379 294 H HN 0.647 nan 8.280 nan 0.000 0.501 295 E N -0.336 119.827 120.200 -0.063 0.000 2.204 295 E HA -0.117 4.233 4.350 0.001 0.000 0.195 295 E C 1.354 177.900 176.600 -0.089 0.000 0.990 295 E CA 0.623 56.950 56.400 -0.121 0.000 0.821 295 E CB 0.085 29.768 29.700 -0.027 0.000 0.750 295 E HN 0.290 nan 8.360 nan 0.000 0.477 296 L N -0.218 120.991 121.223 -0.024 0.000 2.599 296 L HA 0.158 4.498 4.340 0.001 0.000 0.230 296 L C 1.247 178.129 176.870 0.020 0.000 1.141 296 L CA 1.130 55.975 54.840 0.009 0.000 0.877 296 L CB -0.607 41.480 42.059 0.045 0.000 1.009 296 L HN 0.288 nan 8.230 nan 0.000 0.447 297 G N -1.219 107.577 108.800 -0.006 0.000 2.171 297 G HA2 -0.360 3.601 3.960 0.001 0.000 0.238 297 G HA3 -0.360 3.601 3.960 0.001 0.000 0.238 297 G C 0.194 175.168 174.900 0.124 0.000 1.039 297 G CA 0.011 45.122 45.100 0.018 0.000 0.759 297 G HN 0.285 nan 8.290 nan 0.000 0.501 298 Y N -0.496 119.836 120.300 0.053 0.000 2.895 298 Y HA 0.349 4.899 4.550 0.001 0.000 0.334 298 Y C 0.322 176.299 175.900 0.128 0.000 1.261 298 Y CA 0.493 58.651 58.100 0.096 0.000 1.560 298 Y CB 0.418 38.945 38.460 0.112 0.000 1.253 298 Y HN 0.601 nan 8.280 nan 0.000 0.582 299 L N 7.963 128.871 121.223 -0.525 0.000 2.410 299 L HA 0.539 4.880 4.340 0.001 0.000 0.270 299 L C -1.979 174.607 176.870 -0.474 0.000 0.983 299 L CA -0.687 53.938 54.840 -0.358 0.000 0.822 299 L CB 1.465 43.420 42.059 -0.173 0.000 1.285 299 L HN 0.630 nan 8.230 nan 0.000 0.409 300 F N 5.500 125.220 119.950 -0.383 0.000 3.020 300 F HA 0.312 4.840 4.527 0.001 0.000 0.389 300 F C -1.855 173.922 175.800 -0.038 0.000 1.265 300 F CA -0.378 57.484 58.000 -0.231 0.000 1.195 300 F CB 0.416 39.276 39.000 -0.234 0.000 2.250 300 F HN 0.479 nan 8.300 nan 0.000 0.627 301 Y N 3.167 123.334 120.300 -0.222 0.000 2.367 301 Y HA 0.539 5.090 4.550 0.001 0.000 0.342 301 Y C 0.354 176.134 175.900 -0.200 0.000 0.979 301 Y CA -0.110 57.901 58.100 -0.149 0.000 1.161 301 Y CB 0.868 39.241 38.460 -0.145 0.000 1.155 301 Y HN 0.461 nan 8.280 nan 0.000 0.503 302 T N -0.181 114.198 114.554 -0.291 0.000 2.883 302 T HA 0.289 4.639 4.350 0.001 0.000 0.284 302 T C 0.804 175.332 174.700 -0.286 0.000 1.041 302 T CA -0.367 61.611 62.100 -0.205 0.000 1.007 302 T CB 1.510 70.331 68.868 -0.078 0.000 1.220 302 T HN 0.452 nan 8.240 nan 0.000 0.552 303 T N 0.303 114.732 114.554 -0.208 0.000 2.777 303 T HA -0.031 4.320 4.350 0.001 0.000 0.266 303 T C 1.118 175.615 174.700 -0.339 0.000 1.040 303 T CA 1.180 63.094 62.100 -0.310 0.000 1.141 303 T CB -0.364 68.215 68.868 -0.483 0.000 0.868 303 T HN 0.686 nan 8.240 nan 0.000 0.444 304 H N -0.359 118.710 119.070 -0.001 0.000 2.594 304 H HA 0.399 4.955 4.556 0.001 0.000 0.279 304 H C 0.613 175.930 175.328 -0.019 0.000 1.042 304 H CA -0.379 55.690 56.048 0.036 0.000 1.177 304 H CB -0.188 29.602 29.762 0.048 0.000 1.524 304 H HN 0.156 nan 8.280 nan 0.000 0.537 305 V N 1.801 121.713 119.914 -0.004 0.000 2.788 305 V HA -0.086 4.035 4.120 0.001 0.000 0.307 305 V C 0.540 176.595 176.094 -0.065 0.000 1.069 305 V CA 0.822 63.107 62.300 -0.025 0.000 1.173 305 V CB 0.527 32.303 31.823 -0.080 0.000 0.925 305 V HN 0.664 nan 8.190 nan 0.000 0.492 306 S N 2.966 118.648 115.700 -0.031 0.000 3.561 306 S HA -0.166 4.305 4.470 0.001 0.000 0.318 306 S C -0.123 174.454 174.600 -0.038 0.000 1.181 306 S CA 1.039 59.212 58.200 -0.044 0.000 0.916 306 S CB -1.364 61.788 63.200 -0.081 0.000 0.966 306 S HN 0.997 nan 8.310 nan 0.000 0.550 307 D N 1.158 121.563 120.400 0.007 0.000 2.304 307 D HA 0.311 4.951 4.640 0.001 0.000 0.250 307 D C -0.819 175.491 176.300 0.018 0.000 1.107 307 D CA -1.854 52.169 54.000 0.038 0.000 0.885 307 D CB 0.898 41.796 40.800 0.163 0.000 1.192 307 D HN 0.105 nan 8.370 nan 0.000 0.436 308 P HA -0.106 nan 4.420 nan 0.000 0.215 308 P C 1.872 179.132 177.300 -0.068 0.000 1.157 308 P CA 0.512 63.612 63.100 0.000 0.000 0.859 308 P CB 0.471 32.219 31.700 0.080 0.000 0.786 309 L N 0.210 121.440 121.223 0.011 0.000 1.971 309 L HA -0.132 4.209 4.340 0.001 0.000 0.215 309 L C -0.596 176.213 176.870 -0.100 0.000 1.072 309 L CA 2.942 57.765 54.840 -0.029 0.000 0.758 309 L CB -1.901 40.202 42.059 0.073 0.000 0.889 309 L HN 0.030 nan 8.230 nan 0.000 0.433 310 P HA -0.163 nan 4.420 nan 0.000 0.215 310 P C 1.376 178.626 177.300 -0.084 0.000 1.153 310 P CA 1.908 64.976 63.100 -0.054 0.000 0.853 310 P CB -0.181 31.503 31.700 -0.026 0.000 0.788 311 A N 0.229 122.995 122.820 -0.089 0.000 1.908 311 A HA -0.171 4.149 4.320 0.001 0.000 0.218 311 A C 2.374 179.861 177.584 -0.162 0.000 1.181 311 A CA 2.360 54.339 52.037 -0.098 0.000 0.627 311 A CB -1.666 17.285 19.000 -0.082 0.000 0.818 311 A HN 0.217 nan 8.150 nan 0.000 0.445 312 A N -0.745 121.902 122.820 -0.288 0.000 1.933 312 A HA 0.013 4.333 4.320 0.001 0.000 0.218 312 A C 2.234 179.665 177.584 -0.254 0.000 1.175 312 A CA 1.734 53.505 52.037 -0.444 0.000 0.628 312 A CB -0.877 17.481 19.000 -1.070 0.000 0.814 312 A HN 0.389 nan 8.150 nan 0.000 0.444 313 V N -0.108 119.697 119.914 -0.181 0.000 2.343 313 V HA -0.184 3.936 4.120 0.001 0.000 0.247 313 V C 2.817 178.864 176.094 -0.079 0.000 1.051 313 V CA 1.984 64.225 62.300 -0.099 0.000 1.036 313 V CB -1.365 30.420 31.823 -0.063 0.000 0.654 313 V HN 0.616 nan 8.190 nan 0.000 0.451 314 G N -0.373 108.382 108.800 -0.074 0.000 2.418 314 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 314 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 314 G C 1.578 176.449 174.900 -0.049 0.000 1.158 314 G CA 1.139 46.209 45.100 -0.051 0.000 0.771 314 G HN 0.429 nan 8.290 nan 0.000 0.545 315 L N 0.634 121.821 121.223 -0.061 0.000 2.017 315 L HA 0.053 4.393 4.340 0.001 0.000 0.208 315 L C 2.756 179.601 176.870 -0.042 0.000 1.073 315 L CA 2.097 56.909 54.840 -0.046 0.000 0.745 315 L CB -0.505 41.521 42.059 -0.055 0.000 0.894 315 L HN 0.223 nan 8.230 nan 0.000 0.432 316 R N -0.781 119.688 120.500 -0.051 0.000 2.096 316 R HA -0.114 4.226 4.340 0.001 0.000 0.235 316 R C 2.025 178.283 176.300 -0.069 0.000 1.127 316 R CA 2.074 58.147 56.100 -0.044 0.000 0.968 316 R CB -1.076 29.203 30.300 -0.034 0.000 0.861 316 R HN 0.297 nan 8.270 nan 0.000 0.440 317 V N 0.869 120.736 119.914 -0.078 0.000 2.332 317 V HA -0.245 3.875 4.120 0.001 0.000 0.248 317 V C 2.336 178.381 176.094 -0.082 0.000 1.055 317 V CA 1.994 64.234 62.300 -0.099 0.000 1.038 317 V CB -0.465 31.310 31.823 -0.080 0.000 0.651 317 V HN 0.310 nan 8.190 nan 0.000 0.450 318 L N -0.476 120.714 121.223 -0.055 0.000 2.056 318 L HA -0.163 4.177 4.340 0.001 0.000 0.207 318 L C 2.416 179.260 176.870 -0.043 0.000 1.078 318 L CA 1.518 56.332 54.840 -0.043 0.000 0.749 318 L CB -0.832 41.217 42.059 -0.016 0.000 0.901 318 L HN 0.320 nan 8.230 nan 0.000 0.433 319 D N 0.012 120.390 120.400 -0.037 0.000 2.104 319 D HA -0.167 4.473 4.640 0.001 0.000 0.194 319 D C 2.325 178.603 176.300 -0.036 0.000 0.994 319 D CA 1.228 55.212 54.000 -0.027 0.000 0.830 319 D CB -0.237 40.553 40.800 -0.016 0.000 0.959 319 D HN 0.080 nan 8.370 nan 0.000 0.452 320 V N 0.587 120.466 119.914 -0.059 0.000 2.407 320 V HA -0.188 3.932 4.120 0.001 0.000 0.248 320 V C 2.629 178.686 176.094 -0.061 0.000 1.055 320 V CA 0.915 63.175 62.300 -0.067 0.000 1.049 320 V CB -0.308 31.430 31.823 -0.142 0.000 0.662 320 V HN 0.057 nan 8.190 nan 0.000 0.455 321 V N -0.541 119.329 119.914 -0.074 0.000 2.343 321 V HA -0.294 3.827 4.120 0.001 0.000 0.247 321 V C 2.440 178.499 176.094 -0.057 0.000 1.051 321 V CA 1.967 64.223 62.300 -0.073 0.000 1.036 321 V CB -0.570 31.198 31.823 -0.091 0.000 0.654 321 V HN 0.589 nan 8.190 nan 0.000 0.451 322 Q N -0.382 119.389 119.800 -0.049 0.000 2.020 322 Q HA -0.207 4.133 4.340 0.001 0.000 0.198 322 Q C 2.494 178.480 176.000 -0.024 0.000 0.974 322 Q CA 1.701 57.482 55.803 -0.037 0.000 0.829 322 Q CB -0.285 28.437 28.738 -0.027 0.000 0.894 322 Q HN 0.547 nan 8.270 nan 0.000 0.433 323 R N 0.853 121.343 120.500 -0.018 0.000 2.091 323 R HA -0.166 4.175 4.340 0.001 0.000 0.238 323 R C 0.506 176.804 176.300 -0.004 0.000 1.136 323 R CA 1.855 57.951 56.100 -0.006 0.000 0.959 323 R CB 0.073 30.373 30.300 0.000 0.000 0.856 323 R HN 0.157 nan 8.270 nan 0.000 0.437 324 D N -0.756 119.640 120.400 -0.008 0.000 2.342 324 D HA 0.142 4.782 4.640 0.001 0.000 0.221 324 D C 0.409 176.702 176.300 -0.011 0.000 1.101 324 D CA 0.823 54.822 54.000 -0.002 0.000 0.837 324 D CB 0.603 41.409 40.800 0.010 0.000 0.938 324 D HN 0.497 nan 8.370 nan 0.000 0.508 325 G N 1.473 110.261 108.800 -0.020 0.000 2.356 325 G HA2 -0.313 3.648 3.960 0.001 0.000 0.296 325 G HA3 -0.313 3.648 3.960 0.001 0.000 0.296 325 G C 1.018 175.899 174.900 -0.032 0.000 1.022 325 G CA 0.248 45.333 45.100 -0.025 0.000 0.961 325 G HN 0.424 nan 8.290 nan 0.000 0.510 326 L N -0.926 120.272 121.223 -0.041 0.000 2.291 326 L HA -0.056 4.284 4.340 0.001 0.000 0.214 326 L C 2.837 179.670 176.870 -0.061 0.000 1.120 326 L CA 0.849 55.661 54.840 -0.047 0.000 0.799 326 L CB -0.356 41.671 42.059 -0.055 0.000 0.925 326 L HN 0.324 nan 8.230 nan 0.000 0.446 327 V N 0.252 120.123 119.914 -0.071 0.000 2.407 327 V HA -0.278 3.843 4.120 0.001 0.000 0.248 327 V C 2.745 178.804 176.094 -0.059 0.000 1.055 327 V CA 1.855 64.107 62.300 -0.080 0.000 1.049 327 V CB -0.786 30.981 31.823 -0.094 0.000 0.662 327 V HN 0.485 nan 8.190 nan 0.000 0.455 328 A N -0.356 122.437 122.820 -0.045 0.000 1.897 328 A HA -0.189 4.131 4.320 0.001 0.000 0.215 328 A C 2.413 179.978 177.584 -0.032 0.000 1.181 328 A CA 1.611 53.628 52.037 -0.034 0.000 0.620 328 A CB -0.547 18.438 19.000 -0.025 0.000 0.821 328 A HN 0.418 nan 8.150 nan 0.000 0.443 329 R N -0.413 120.068 120.500 -0.033 0.000 2.117 329 R HA -0.175 4.166 4.340 0.001 0.000 0.243 329 R C 2.292 178.568 176.300 -0.040 0.000 1.143 329 R CA 1.319 57.401 56.100 -0.030 0.000 0.968 329 R CB -0.379 29.904 30.300 -0.028 0.000 0.863 329 R HN 0.496 nan 8.270 nan 0.000 0.444 330 A N 1.093 123.883 122.820 -0.050 0.000 1.978 330 A HA -0.184 4.136 4.320 0.001 0.000 0.220 330 A C 1.721 179.274 177.584 -0.051 0.000 1.170 330 A CA 1.570 53.572 52.037 -0.059 0.000 0.636 330 A CB -0.433 18.525 19.000 -0.069 0.000 0.810 330 A HN 0.377 nan 8.150 nan 0.000 0.448 331 N N -0.137 118.538 118.700 -0.041 0.000 2.250 331 N HA -0.071 4.669 4.740 0.001 0.000 0.181 331 N C 1.767 177.261 175.510 -0.027 0.000 1.017 331 N CA 1.468 54.499 53.050 -0.033 0.000 0.866 331 N CB -0.276 38.196 38.487 -0.026 0.000 0.985 331 N HN 0.292 nan 8.380 nan 0.000 0.429 332 V N 1.942 121.841 119.914 -0.025 0.000 2.270 332 V HA -0.169 3.951 4.120 0.001 0.000 0.245 332 V C 2.462 178.544 176.094 -0.021 0.000 1.043 332 V CA 1.246 63.535 62.300 -0.018 0.000 1.014 332 V CB -0.333 31.481 31.823 -0.014 0.000 0.645 332 V HN 0.215 nan 8.190 nan 0.000 0.447 333 M N 0.514 120.096 119.600 -0.029 0.000 2.117 333 M HA -0.062 4.418 4.480 0.001 0.000 0.262 333 M C 2.361 178.634 176.300 -0.046 0.000 1.065 333 M CA 2.018 57.297 55.300 -0.035 0.000 1.114 333 M CB -1.935 30.636 32.600 -0.048 0.000 1.361 333 M HN 0.449 nan 8.290 nan 0.000 0.408 334 G N 0.028 108.796 108.800 -0.053 0.000 2.442 334 G HA2 -0.283 3.677 3.960 0.001 0.000 0.219 334 G HA3 -0.283 3.677 3.960 0.001 0.000 0.219 334 G C 1.243 176.120 174.900 -0.037 0.000 1.141 334 G CA 1.539 46.605 45.100 -0.057 0.000 0.763 334 G HN 0.519 nan 8.290 nan 0.000 0.554 335 D N -0.393 119.991 120.400 -0.026 0.000 2.149 335 D HA -0.054 4.586 4.640 0.001 0.000 0.201 335 D C 2.368 178.663 176.300 -0.009 0.000 0.972 335 D CA 0.664 54.655 54.000 -0.015 0.000 0.835 335 D CB -0.166 40.627 40.800 -0.011 0.000 0.966 335 D HN 0.232 nan 8.370 nan 0.000 0.476 336 R N 0.009 120.503 120.500 -0.009 0.000 2.073 336 R HA -0.088 4.253 4.340 0.001 0.000 0.234 336 R C 2.419 178.723 176.300 0.006 0.000 1.134 336 R CA 0.877 56.977 56.100 0.001 0.000 0.952 336 R CB -0.485 29.817 30.300 0.004 0.000 0.850 336 R HN 0.310 nan 8.270 nan 0.000 0.433 337 L N 0.592 121.812 121.223 -0.005 0.000 2.046 337 L HA -0.199 4.142 4.340 0.001 0.000 0.208 337 L C 2.851 179.725 176.870 0.006 0.000 1.077 337 L CA 1.415 56.256 54.840 0.002 0.000 0.747 337 L CB -0.370 41.661 42.059 -0.047 0.000 0.896 337 L HN 0.281 nan 8.230 nan 0.000 0.432 338 R N -0.039 120.456 120.500 -0.007 0.000 2.091 338 R HA -0.219 4.122 4.340 0.001 0.000 0.238 338 R C 2.354 178.659 176.300 0.008 0.000 1.136 338 R CA 1.638 57.737 56.100 -0.002 0.000 0.959 338 R CB -0.144 30.151 30.300 -0.009 0.000 0.856 338 R HN 0.312 nan 8.270 nan 0.000 0.437 339 R N -0.785 119.720 120.500 0.009 0.000 2.105 339 R HA -0.091 4.250 4.340 0.001 0.000 0.239 339 R C 2.327 178.639 176.300 0.019 0.000 1.135 339 R CA 1.390 57.497 56.100 0.012 0.000 0.967 339 R CB -0.453 29.853 30.300 0.009 0.000 0.861 339 R HN 0.409 nan 8.270 nan 0.000 0.442 340 G N 0.696 109.511 108.800 0.025 0.000 2.402 340 G HA2 -0.203 3.757 3.960 0.001 0.000 0.216 340 G HA3 -0.203 3.757 3.960 0.001 0.000 0.216 340 G C 1.390 176.316 174.900 0.043 0.000 1.162 340 G CA 0.368 45.490 45.100 0.036 0.000 0.777 340 G HN 0.133 nan 8.290 nan 0.000 0.539 341 L N -0.107 121.140 121.223 0.040 0.000 2.093 341 L HA 0.030 4.370 4.340 0.001 0.000 0.208 341 L C 2.865 179.763 176.870 0.046 0.000 1.085 341 L CA 0.471 55.338 54.840 0.045 0.000 0.755 341 L CB -0.401 41.679 42.059 0.034 0.000 0.904 341 L HN 0.172 nan 8.230 nan 0.000 0.435 342 L N -0.444 120.798 121.223 0.032 0.000 2.131 342 L HA -0.219 4.121 4.340 0.001 0.000 0.210 342 L C 2.189 179.077 176.870 0.031 0.000 1.092 342 L CA 0.962 55.819 54.840 0.028 0.000 0.759 342 L CB -0.535 41.535 42.059 0.018 0.000 0.903 342 L HN 0.289 nan 8.230 nan 0.000 0.435 343 D N -0.230 120.187 120.400 0.029 0.000 2.144 343 D HA -0.141 4.499 4.640 0.001 0.000 0.200 343 D C 2.204 178.522 176.300 0.030 0.000 0.978 343 D CA 0.904 54.915 54.000 0.019 0.000 0.833 343 D CB 0.013 40.822 40.800 0.015 0.000 0.961 343 D HN 0.087 nan 8.370 nan 0.000 0.470 344 L N 0.730 122.000 121.223 0.079 0.000 2.046 344 L HA -0.073 4.268 4.340 0.001 0.000 0.208 344 L C 2.349 179.328 176.870 0.182 0.000 1.077 344 L CA 1.213 56.159 54.840 0.177 0.000 0.747 344 L CB -1.048 41.142 42.059 0.217 0.000 0.896 344 L HN 0.141 nan 8.230 nan 0.000 0.432 345 M N -1.248 118.424 119.600 0.119 0.000 2.446 345 M HA -0.204 4.277 4.480 0.001 0.000 0.263 345 M C 1.963 178.301 176.300 0.062 0.000 1.066 345 M CA 1.415 56.779 55.300 0.107 0.000 1.087 345 M CB 0.029 32.671 32.600 0.069 0.000 1.406 345 M HN 0.251 nan 8.290 nan 0.000 0.459 346 E N 0.104 120.315 120.200 0.019 0.000 2.072 346 E HA -0.163 4.188 4.350 0.001 0.000 0.190 346 E C 2.139 178.692 176.600 -0.079 0.000 0.982 346 E CA 0.831 57.219 56.400 -0.021 0.000 0.803 346 E CB 0.058 29.739 29.700 -0.031 0.000 0.755 346 E HN 0.493 nan 8.360 nan 0.000 0.453 347 R N -0.572 119.830 120.500 -0.164 0.000 2.075 347 R HA -0.040 4.301 4.340 0.001 0.000 0.232 347 R C -0.175 175.806 176.300 -0.531 0.000 1.126 347 R CA 0.810 56.650 56.100 -0.435 0.000 0.963 347 R CB 0.146 30.035 30.300 -0.683 0.000 0.858 347 R HN -0.022 nan 8.270 nan 0.000 0.435 348 F N 0.168 120.124 119.950 0.012 0.000 2.449 348 F HA 0.213 4.741 4.527 0.001 0.000 0.342 348 F C 0.811 176.625 175.800 0.023 0.000 1.127 348 F CA -0.972 57.038 58.000 0.016 0.000 0.975 348 F CB 1.592 40.603 39.000 0.018 0.000 1.146 348 F HN -0.134 nan 8.300 nan 0.000 0.444 349 D N 1.524 122.047 120.400 0.205 0.000 2.265 349 D HA -0.168 4.472 4.640 0.001 0.000 0.208 349 D C 1.999 178.375 176.300 0.126 0.000 0.977 349 D CA 1.456 55.535 54.000 0.131 0.000 0.871 349 D CB 0.171 41.031 40.800 0.099 0.000 0.925 349 D HN 0.690 nan 8.370 nan 0.000 0.485 350 C N -0.118 119.268 119.300 0.143 0.000 2.522 350 C HA 0.256 4.717 4.460 0.001 0.000 0.271 350 C C 1.326 176.374 174.990 0.097 0.000 1.425 350 C CA -0.765 58.312 59.018 0.098 0.000 1.751 350 C CB -1.389 26.391 27.740 0.066 0.000 1.775 350 C HN 0.026 nan 8.230 nan 0.000 0.557 351 I N 2.586 123.228 120.570 0.119 0.000 2.308 351 I HA 0.286 4.457 4.170 0.001 0.000 0.293 351 I C 1.574 177.739 176.117 0.081 0.000 1.078 351 I CA 0.298 61.658 61.300 0.101 0.000 1.292 351 I CB 0.876 38.947 38.000 0.119 0.000 1.423 351 I HN 0.417 nan 8.210 nan 0.000 0.493 352 G N 4.244 113.084 108.800 0.065 0.000 2.539 352 G HA2 -0.028 3.933 3.960 0.001 0.000 0.215 352 G HA3 -0.028 3.933 3.960 0.001 0.000 0.215 352 G C 0.043 174.901 174.900 -0.070 0.000 1.141 352 G CA 0.365 45.517 45.100 0.086 0.000 0.806 352 G HN 0.562 nan 8.290 nan 0.000 0.533 353 D N -1.777 118.503 120.400 -0.200 0.000 2.717 353 D HA 0.377 5.017 4.640 0.001 0.000 0.223 353 D C -1.361 174.836 176.300 -0.171 0.000 1.240 353 D CA -0.404 53.398 54.000 -0.329 0.000 0.801 353 D CB 2.213 42.468 40.800 -0.908 0.000 1.556 353 D HN 0.180 nan 8.370 nan 0.000 0.462 354 V N 3.491 123.338 119.914 -0.112 0.000 2.443 354 V HA 0.852 4.973 4.120 0.001 0.000 0.293 354 V C -1.151 174.914 176.094 -0.048 0.000 1.021 354 V CA -0.278 61.992 62.300 -0.051 0.000 0.848 354 V CB 1.013 32.829 31.823 -0.011 0.000 0.998 354 V HN 0.716 nan 8.190 nan 0.000 0.424 355 R N 4.769 125.246 120.500 -0.039 0.000 2.885 355 R HA 1.040 5.381 4.340 0.001 0.000 0.260 355 R C 0.201 176.490 176.300 -0.019 0.000 1.107 355 R CA -0.364 55.721 56.100 -0.024 0.000 0.978 355 R CB 1.712 32.002 30.300 -0.016 0.000 1.227 355 R HN 1.826 nan 8.270 nan 0.000 0.473 356 G N 0.059 108.850 108.800 -0.016 0.000 2.362 356 G HA2 0.064 4.025 3.960 0.001 0.000 0.517 356 G HA3 0.064 4.025 3.960 0.001 0.000 0.517 356 G C -1.566 173.322 174.900 -0.019 0.000 1.256 356 G CA -0.490 44.598 45.100 -0.021 0.000 1.027 356 G HN 0.728 nan 8.290 nan 0.000 0.491 357 R N -0.845 119.640 120.500 -0.025 0.000 2.604 357 R HA 0.590 4.930 4.340 0.001 0.000 0.270 357 R C 0.981 177.260 176.300 -0.035 0.000 1.052 357 R CA 1.090 57.176 56.100 -0.023 0.000 0.902 357 R CB 1.366 31.657 30.300 -0.015 0.000 1.233 357 R HN 2.704 nan 8.270 nan 0.000 0.455 358 G N 2.191 110.970 108.800 -0.036 0.000 2.622 358 G HA2 -0.338 3.623 3.960 0.001 0.000 0.307 358 G HA3 -0.338 3.623 3.960 0.001 0.000 0.307 358 G C -0.439 174.421 174.900 -0.066 0.000 1.226 358 G CA 0.351 45.422 45.100 -0.048 0.000 0.997 358 G HN 0.417 nan 8.290 nan 0.000 0.551 359 L N 0.336 121.510 121.223 -0.082 0.000 3.034 359 L HA 0.638 4.978 4.340 0.001 0.000 0.245 359 L C 0.036 176.838 176.870 -0.112 0.000 1.295 359 L CA 0.044 54.816 54.840 -0.114 0.000 1.068 359 L CB 0.335 42.316 42.059 -0.131 0.000 1.426 359 L HN 0.584 nan 8.230 nan 0.000 0.531 360 L N 0.573 121.746 121.223 -0.083 0.000 2.492 360 L HA 0.556 4.896 4.340 0.001 0.000 0.258 360 L C -1.521 175.316 176.870 -0.056 0.000 1.028 360 L CA -0.102 54.696 54.840 -0.069 0.000 0.900 360 L CB 1.060 43.089 42.059 -0.050 0.000 1.191 360 L HN -0.153 nan 8.230 nan 0.000 0.459 361 L N 2.595 123.783 121.223 -0.058 0.000 2.333 361 L HA 0.951 5.291 4.340 0.001 0.000 0.269 361 L C 0.430 177.293 176.870 -0.012 0.000 1.010 361 L CA -0.498 54.320 54.840 -0.038 0.000 0.818 361 L CB 1.931 43.962 42.059 -0.047 0.000 1.306 361 L HN 0.604 nan 8.230 nan 0.000 0.430 362 G N 0.932 109.731 108.800 -0.002 0.000 2.542 362 G HA2 0.620 4.581 3.960 0.001 0.000 0.311 362 G HA3 0.620 4.581 3.960 0.001 0.000 0.311 362 G C -1.785 173.136 174.900 0.036 0.000 1.298 362 G CA -0.336 44.775 45.100 0.019 0.000 0.973 362 G HN 0.285 nan 8.290 nan 0.000 0.487 363 V N 1.514 121.487 119.914 0.098 0.000 2.407 363 V HA 0.361 4.481 4.120 0.001 0.000 0.291 363 V C -0.187 175.960 176.094 0.089 0.000 1.018 363 V CA -0.737 61.627 62.300 0.107 0.000 0.842 363 V CB 1.492 33.429 31.823 0.190 0.000 0.996 363 V HN 0.877 nan 8.190 nan 0.000 0.426 364 E N 5.177 125.378 120.200 0.003 0.000 2.167 364 E HA 0.391 4.741 4.350 0.001 0.000 0.284 364 E C -0.783 175.838 176.600 0.035 0.000 1.016 364 E CA -0.725 55.674 56.400 -0.002 0.000 0.817 364 E CB 0.877 30.557 29.700 -0.033 0.000 1.080 364 E HN 0.468 nan 8.360 nan 0.000 0.397 365 I N 4.981 125.570 120.570 0.032 0.000 2.395 365 I HA 0.242 4.413 4.170 0.001 0.000 0.289 365 I C 0.132 176.283 176.117 0.057 0.000 1.023 365 I CA -0.370 60.960 61.300 0.050 0.000 1.350 365 I CB 0.745 38.762 38.000 0.028 0.000 1.409 365 I HN 0.354 nan 8.210 nan 0.000 0.507 366 V N 6.854 126.812 119.914 0.072 0.000 3.078 366 V HA 0.333 4.453 4.120 0.001 0.000 0.311 366 V C 1.059 177.189 176.094 0.060 0.000 1.138 366 V CA -0.670 61.677 62.300 0.079 0.000 1.007 366 V CB 2.739 34.635 31.823 0.121 0.000 1.045 366 V HN 0.773 nan 8.190 nan 0.000 0.432 367 K N 1.436 121.865 120.400 0.048 0.000 2.001 367 K HA -0.015 4.306 4.320 0.001 0.000 0.208 367 K C 0.167 176.794 176.600 0.045 0.000 1.048 367 K CA 1.742 58.052 56.287 0.039 0.000 0.932 367 K CB 0.102 32.618 32.500 0.027 0.000 0.715 367 K HN 0.900 nan 8.250 nan 0.000 0.437 368 D N -1.797 118.631 120.400 0.045 0.000 2.964 368 D HA 0.089 4.730 4.640 0.001 0.000 0.234 368 D C 0.095 176.427 176.300 0.053 0.000 1.223 368 D CA -0.464 53.563 54.000 0.046 0.000 0.889 368 D CB 1.313 42.132 40.800 0.031 0.000 1.609 368 D HN -0.148 nan 8.370 nan 0.000 0.523 369 R N 0.947 121.485 120.500 0.064 0.000 2.211 369 R HA -0.138 4.202 4.340 0.001 0.000 0.240 369 R C 1.638 177.966 176.300 0.048 0.000 1.144 369 R CA 1.641 57.786 56.100 0.075 0.000 0.992 369 R CB 0.163 30.508 30.300 0.074 0.000 0.869 369 R HN 0.445 nan 8.270 nan 0.000 0.462 370 R N -1.496 119.020 120.500 0.025 0.000 2.066 370 R HA -0.023 4.318 4.340 0.001 0.000 0.224 370 R C 2.405 178.694 176.300 -0.017 0.000 1.122 370 R CA 1.703 57.805 56.100 0.003 0.000 0.974 370 R CB -0.408 29.894 30.300 0.003 0.000 0.871 370 R HN 0.247 nan 8.270 nan 0.000 0.435 371 T N -1.274 113.273 114.554 -0.012 0.000 3.043 371 T HA 0.067 4.417 4.350 0.001 0.000 0.263 371 T C 0.575 175.249 174.700 -0.042 0.000 1.094 371 T CA 0.216 62.299 62.100 -0.028 0.000 1.127 371 T CB -0.042 68.817 68.868 -0.015 0.000 0.905 371 T HN 0.116 nan 8.240 nan 0.000 0.490 372 K N 1.379 121.769 120.400 -0.017 0.000 3.096 372 K HA -0.162 4.159 4.320 0.001 0.000 0.266 372 K C -0.175 176.420 176.600 -0.008 0.000 1.043 372 K CA 0.736 57.014 56.287 -0.014 0.000 0.758 372 K CB -1.562 30.844 32.500 -0.157 0.000 1.260 372 K HN 0.812 nan 8.250 nan 0.000 0.481 373 E N 1.100 121.306 120.200 0.009 0.000 2.227 373 E HA 0.201 4.551 4.350 0.001 0.000 0.282 373 E C -2.373 174.244 176.600 0.028 0.000 1.015 373 E CA -2.567 53.839 56.400 0.010 0.000 0.823 373 E CB 0.913 30.617 29.700 0.006 0.000 1.081 373 E HN -0.132 nan 8.360 nan 0.000 0.396 374 P HA -0.033 nan 4.420 nan 0.000 0.261 374 P C -1.334 175.978 177.300 0.020 0.000 1.183 374 P CA 0.275 63.394 63.100 0.031 0.000 0.761 374 P CB 0.810 32.524 31.700 0.023 0.000 0.785 375 A N 4.011 126.843 122.820 0.020 0.000 2.506 375 A HA 0.184 4.505 4.320 0.001 0.000 0.320 375 A C -0.055 177.527 177.584 -0.003 0.000 1.424 375 A CA -0.469 51.575 52.037 0.012 0.000 1.044 375 A CB -0.357 18.655 19.000 0.020 0.000 1.140 375 A HN 0.387 nan 8.150 nan 0.000 0.538 376 D N 1.952 122.350 120.400 -0.003 0.000 2.343 376 D HA 0.393 5.034 4.640 0.001 0.000 0.255 376 D C 1.321 177.615 176.300 -0.011 0.000 1.187 376 D CA 1.534 55.528 54.000 -0.011 0.000 0.875 376 D CB 1.349 42.145 40.800 -0.006 0.000 1.136 376 D HN 0.850 nan 8.370 nan 0.000 0.469 377 G N 1.966 110.755 108.800 -0.019 0.000 2.420 377 G HA2 -0.348 3.612 3.960 0.001 0.000 0.221 377 G HA3 -0.348 3.612 3.960 0.001 0.000 0.221 377 G C 1.040 175.933 174.900 -0.012 0.000 1.117 377 G CA 0.256 45.347 45.100 -0.015 0.000 0.657 377 G HN 0.491 nan 8.290 nan 0.000 0.512 378 L N 2.368 123.587 121.223 -0.008 0.000 2.043 378 L HA 0.211 4.551 4.340 0.001 0.000 0.212 378 L C 2.804 179.679 176.870 0.009 0.000 1.075 378 L CA 3.378 58.218 54.840 -0.000 0.000 0.752 378 L CB -1.065 40.996 42.059 0.004 0.000 0.891 378 L HN 0.608 nan 8.230 nan 0.000 0.432 379 G N -1.136 107.654 108.800 -0.016 0.000 2.459 379 G HA2 -0.308 3.652 3.960 0.001 0.000 0.217 379 G HA3 -0.308 3.652 3.960 0.001 0.000 0.217 379 G C 1.616 176.518 174.900 0.004 0.000 1.183 379 G CA 1.028 46.101 45.100 -0.046 0.000 0.776 379 G HN 0.666 nan 8.290 nan 0.000 0.552 380 A N 0.618 123.425 122.820 -0.021 0.000 1.940 380 A HA -0.031 4.289 4.320 0.001 0.000 0.219 380 A C 2.334 179.932 177.584 0.024 0.000 1.176 380 A CA 1.992 54.027 52.037 -0.003 0.000 0.631 380 A CB -0.330 18.658 19.000 -0.019 0.000 0.814 380 A HN 0.362 nan 8.150 nan 0.000 0.446 381 K N -0.303 120.109 120.400 0.019 0.000 2.009 381 K HA -0.117 4.204 4.320 0.001 0.000 0.210 381 K C 1.914 178.530 176.600 0.026 0.000 1.049 381 K CA 1.645 57.940 56.287 0.013 0.000 0.929 381 K CB -0.508 31.993 32.500 0.002 0.000 0.714 381 K HN 0.560 nan 8.250 nan 0.000 0.440 382 I N 1.295 121.899 120.570 0.056 0.000 2.163 382 I HA -0.280 3.890 4.170 0.001 0.000 0.243 382 I C 2.259 178.424 176.117 0.079 0.000 1.085 382 I CA 1.494 62.829 61.300 0.058 0.000 1.347 382 I CB -0.997 37.086 38.000 0.139 0.000 1.044 382 I HN 0.233 nan 8.210 nan 0.000 0.408 383 T N 0.637 115.302 114.554 0.186 0.000 2.720 383 T HA -0.248 4.103 4.350 0.001 0.000 0.268 383 T C 1.983 176.719 174.700 0.060 0.000 1.037 383 T CA 1.733 63.938 62.100 0.175 0.000 1.144 383 T CB -0.405 68.575 68.868 0.188 0.000 0.864 383 T HN 0.412 nan 8.240 nan 0.000 0.444 384 R N 1.075 121.597 120.500 0.036 0.000 2.075 384 R HA -0.099 4.242 4.340 0.001 0.000 0.232 384 R C 2.160 178.454 176.300 -0.009 0.000 1.126 384 R CA 1.314 57.419 56.100 0.008 0.000 0.963 384 R CB -0.152 30.148 30.300 0.000 0.000 0.858 384 R HN 0.246 nan 8.270 nan 0.000 0.435 385 E N 0.749 120.940 120.200 -0.016 0.000 2.085 385 E HA -0.197 4.154 4.350 0.001 0.000 0.194 385 E C 2.182 178.753 176.600 -0.050 0.000 0.994 385 E CA 1.356 57.736 56.400 -0.034 0.000 0.801 385 E CB -0.637 29.038 29.700 -0.042 0.000 0.743 385 E HN 0.423 nan 8.360 nan 0.000 0.453 386 C N 0.673 119.935 119.300 -0.062 0.000 2.413 386 C HA -0.174 4.287 4.460 0.001 0.000 0.277 386 C C 2.779 177.728 174.990 -0.069 0.000 1.228 386 C CA 1.058 60.019 59.018 -0.094 0.000 1.731 386 C CB -0.855 26.810 27.740 -0.124 0.000 2.042 386 C HN 0.394 nan 8.230 nan 0.000 0.468 387 M N 1.878 121.454 119.600 -0.039 0.000 2.088 387 M HA -0.144 4.337 4.480 0.001 0.000 0.256 387 M C 1.787 178.071 176.300 -0.028 0.000 1.071 387 M CA 1.774 57.059 55.300 -0.025 0.000 1.097 387 M CB -1.051 31.546 32.600 -0.005 0.000 1.315 387 M HN 0.364 nan 8.290 nan 0.000 0.406 388 N N -0.072 118.611 118.700 -0.028 0.000 2.104 388 N HA -0.142 4.599 4.740 0.001 0.000 0.190 388 N C 1.715 177.207 175.510 -0.031 0.000 1.024 388 N CA 1.438 54.472 53.050 -0.026 0.000 0.853 388 N CB -0.636 37.836 38.487 -0.026 0.000 1.008 388 N HN 0.424 nan 8.380 nan 0.000 0.424 389 L N -0.449 120.749 121.223 -0.042 0.000 2.465 389 L HA 0.051 4.391 4.340 0.001 0.000 0.224 389 L C 1.012 177.854 176.870 -0.048 0.000 1.145 389 L CA 0.522 55.334 54.840 -0.047 0.000 0.834 389 L CB -0.393 41.628 42.059 -0.064 0.000 0.944 389 L HN 0.317 nan 8.230 nan 0.000 0.451 390 G N 0.832 109.606 108.800 -0.045 0.000 2.140 390 G HA2 -0.238 3.723 3.960 0.001 0.000 0.211 390 G HA3 -0.238 3.723 3.960 0.001 0.000 0.211 390 G C -0.504 174.364 174.900 -0.054 0.000 1.013 390 G CA 0.013 45.093 45.100 -0.034 0.000 0.705 390 G HN 0.161 nan 8.290 nan 0.000 0.508 391 L N 0.981 122.146 121.223 -0.096 0.000 2.349 391 L HA 0.861 5.201 4.340 0.001 0.000 0.278 391 L C 0.115 176.915 176.870 -0.116 0.000 0.996 391 L CA -0.631 54.109 54.840 -0.167 0.000 0.825 391 L CB 2.075 43.969 42.059 -0.275 0.000 1.243 391 L HN 0.268 nan 8.230 nan 0.000 0.412 392 S N 6.437 122.089 115.700 -0.080 0.000 2.465 392 S HA 0.714 5.184 4.470 0.001 0.000 0.279 392 S C -0.198 174.420 174.600 0.031 0.000 1.201 392 S CA -0.610 57.585 58.200 -0.008 0.000 1.053 392 S CB 0.047 63.264 63.200 0.027 0.000 0.953 392 S HN 0.656 nan 8.310 nan 0.000 0.488 393 M N 3.886 123.516 119.600 0.050 0.000 2.755 393 M HA 0.519 5.000 4.480 0.001 0.000 0.298 393 M C -0.442 175.962 176.300 0.173 0.000 1.251 393 M CA -0.849 54.521 55.300 0.116 0.000 0.817 393 M CB 1.811 34.439 32.600 0.046 0.000 1.760 393 M HN 0.677 nan 8.290 nan 0.000 0.473 394 N N 0.793 119.646 118.700 0.256 0.000 2.369 394 N HA 0.555 5.295 4.740 0.001 0.000 0.287 394 N C -2.324 173.266 175.510 0.133 0.000 1.067 394 N CA -0.295 52.850 53.050 0.157 0.000 0.888 394 N CB 2.896 41.427 38.487 0.074 0.000 1.616 394 N HN 0.753 nan 8.380 nan 0.000 0.482 395 I N 2.594 123.134 120.570 -0.049 0.000 2.646 395 I HA 0.581 4.751 4.170 0.001 0.000 0.299 395 I C -0.987 175.012 176.117 -0.197 0.000 1.036 395 I CA -0.745 60.380 61.300 -0.291 0.000 1.074 395 I CB 1.886 39.550 38.000 -0.560 0.000 1.258 395 I HN 0.313 nan 8.210 nan 0.000 0.430 396 V N 3.312 123.103 119.914 -0.205 0.000 2.735 396 V HA 0.694 4.814 4.120 0.001 0.000 0.310 396 V C -1.136 174.877 176.094 -0.134 0.000 1.061 396 V CA -0.534 61.680 62.300 -0.144 0.000 0.913 396 V CB 1.593 33.340 31.823 -0.127 0.000 1.005 396 V HN 0.852 nan 8.190 nan 0.000 0.428 397 Q N 3.639 123.382 119.800 -0.096 0.000 2.310 397 Q HA 0.713 5.054 4.340 0.001 0.000 0.270 397 Q C -1.706 174.273 176.000 -0.035 0.000 1.025 397 Q CA -0.445 55.315 55.803 -0.071 0.000 0.772 397 Q CB 1.778 30.474 28.738 -0.069 0.000 1.253 397 Q HN 0.937 nan 8.270 nan 0.000 0.450 398 L N 4.707 125.919 121.223 -0.019 0.000 2.333 398 L HA 0.695 5.035 4.340 0.001 0.000 0.269 398 L C -2.099 174.784 176.870 0.021 0.000 1.010 398 L CA -2.261 52.583 54.840 0.006 0.000 0.818 398 L CB 1.618 43.681 42.059 0.007 0.000 1.306 398 L HN 0.642 nan 8.230 nan 0.000 0.430 399 P HA 0.048 nan 4.420 nan 0.000 0.265 399 P C 0.731 178.058 177.300 0.044 0.000 1.193 399 P CA 0.628 63.748 63.100 0.034 0.000 0.765 399 P CB 0.715 32.438 31.700 0.039 0.000 0.823 400 G N 1.637 110.461 108.800 0.041 0.000 2.162 400 G HA2 -0.249 3.711 3.960 0.001 0.000 0.260 400 G HA3 -0.249 3.711 3.960 0.001 0.000 0.260 400 G C 0.049 174.993 174.900 0.073 0.000 0.976 400 G CA 0.105 45.234 45.100 0.048 0.000 0.655 400 G HN 0.520 nan 8.290 nan 0.000 0.533 401 M N -0.149 119.499 119.600 0.080 0.000 2.572 401 M HA 0.546 5.026 4.480 0.001 0.000 0.299 401 M C 0.918 177.268 176.300 0.084 0.000 1.205 401 M CA -0.187 55.189 55.300 0.126 0.000 0.876 401 M CB 2.106 34.781 32.600 0.125 0.000 1.728 401 M HN 0.227 nan 8.290 nan 0.000 0.458 402 G N 0.409 109.276 108.800 0.111 0.000 2.684 402 G HA2 0.453 4.413 3.960 0.001 0.000 0.255 402 G HA3 0.453 4.413 3.960 0.001 0.000 0.255 402 G C 0.070 174.973 174.900 0.006 0.000 1.219 402 G CA -0.434 44.704 45.100 0.062 0.000 0.901 402 G HN 0.827 nan 8.290 nan 0.000 0.548 403 G N -1.740 107.027 108.800 -0.055 0.000 2.442 403 G HA2 0.444 4.404 3.960 0.001 0.000 0.249 403 G HA3 0.444 4.404 3.960 0.001 0.000 0.249 403 G C -0.620 174.155 174.900 -0.209 0.000 1.263 403 G CA -0.184 44.825 45.100 -0.152 0.000 0.846 403 G HN 0.646 nan 8.290 nan 0.000 0.555 404 V N 2.726 122.490 119.914 -0.249 0.000 2.444 404 V HA 0.349 4.469 4.120 0.001 0.000 0.294 404 V C -0.692 175.217 176.094 -0.309 0.000 1.022 404 V CA -0.808 61.363 62.300 -0.215 0.000 0.850 404 V CB 1.290 33.051 31.823 -0.102 0.000 0.992 404 V HN 0.559 nan 8.190 nan 0.000 0.426 405 F N 3.885 123.822 119.950 -0.021 0.000 2.427 405 F HA 0.476 5.004 4.527 0.001 0.000 0.352 405 F C 1.086 176.873 175.800 -0.022 0.000 1.100 405 F CA -0.299 57.692 58.000 -0.016 0.000 1.191 405 F CB 0.750 39.749 39.000 -0.002 0.000 1.128 405 F HN 0.281 nan 8.300 nan 0.000 0.533 406 R N 5.044 125.656 120.500 0.188 0.000 2.239 406 R HA 0.489 4.829 4.340 0.001 0.000 0.332 406 R C -1.028 175.325 176.300 0.089 0.000 0.988 406 R CA -0.486 55.661 56.100 0.079 0.000 0.859 406 R CB 0.936 31.242 30.300 0.010 0.000 1.148 406 R HN 0.566 nan 8.270 nan 0.000 0.482 407 I N 1.981 122.577 120.570 0.044 0.000 2.336 407 I HA 0.393 4.564 4.170 0.001 0.000 0.292 407 I C 0.186 176.222 176.117 -0.134 0.000 0.991 407 I CA -0.292 60.994 61.300 -0.024 0.000 1.227 407 I CB 1.879 39.863 38.000 -0.027 0.000 1.366 407 I HN 0.614 nan 8.210 nan 0.000 0.466 408 A N 7.661 130.371 122.820 -0.184 0.000 3.307 408 A HA 0.561 4.881 4.320 0.001 0.000 0.289 408 A C -2.831 174.616 177.584 -0.228 0.000 1.138 408 A CA -1.090 50.834 52.037 -0.188 0.000 0.860 408 A CB 0.018 18.958 19.000 -0.100 0.000 1.318 408 A HN 0.334 nan 8.150 nan 0.000 0.551 409 P HA 0.412 nan 4.420 nan 0.000 0.274 409 P C -2.722 174.452 177.300 -0.211 0.000 1.246 409 P CA -1.313 61.570 63.100 -0.362 0.000 0.795 409 P CB -0.080 31.245 31.700 -0.625 0.000 1.006 410 P HA 0.076 nan 4.420 nan 0.000 0.268 410 P C 0.992 178.229 177.300 -0.104 0.000 1.208 410 P CA 0.211 63.243 63.100 -0.114 0.000 0.777 410 P CB 0.252 31.900 31.700 -0.086 0.000 0.875 411 L N 0.908 122.079 121.223 -0.086 0.000 2.275 411 L HA -0.103 4.237 4.340 0.001 0.000 0.215 411 L C 1.787 178.630 176.870 -0.046 0.000 1.119 411 L CA 1.796 56.592 54.840 -0.073 0.000 0.790 411 L CB -1.107 40.908 42.059 -0.072 0.000 0.919 411 L HN 0.490 nan 8.230 nan 0.000 0.443 412 T N -3.398 111.140 114.554 -0.027 0.000 3.129 412 T HA 0.081 4.432 4.350 0.001 0.000 0.251 412 T C 0.737 175.437 174.700 -0.000 0.000 1.117 412 T CA -0.254 61.850 62.100 0.006 0.000 1.034 412 T CB -0.345 68.554 68.868 0.051 0.000 0.968 412 T HN 0.036 nan 8.240 nan 0.000 0.526 413 V N 3.664 123.561 119.914 -0.029 0.000 2.901 413 V HA 0.324 4.444 4.120 0.001 0.000 0.307 413 V C 0.596 176.691 176.094 0.003 0.000 1.084 413 V CA -0.124 62.161 62.300 -0.024 0.000 1.184 413 V CB 0.641 32.429 31.823 -0.059 0.000 0.941 413 V HN 0.774 nan 8.190 nan 0.000 0.493 414 S N 3.494 119.211 115.700 0.028 0.000 2.672 414 S HA 0.393 4.864 4.470 0.001 0.000 0.276 414 S C 0.749 175.375 174.600 0.044 0.000 1.207 414 S CA -0.029 58.195 58.200 0.041 0.000 1.002 414 S CB 1.411 64.648 63.200 0.062 0.000 0.998 414 S HN 0.802 nan 8.310 nan 0.000 0.542 415 E N 0.924 121.147 120.200 0.039 0.000 2.085 415 E HA -0.152 4.198 4.350 0.001 0.000 0.194 415 E C 1.404 178.036 176.600 0.054 0.000 0.994 415 E CA 2.067 58.490 56.400 0.039 0.000 0.801 415 E CB -0.120 29.598 29.700 0.031 0.000 0.743 415 E HN 0.693 nan 8.360 nan 0.000 0.453 416 D N 0.364 120.801 120.400 0.061 0.000 2.084 416 D HA -0.177 4.463 4.640 0.001 0.000 0.194 416 D C 1.750 178.105 176.300 0.090 0.000 0.990 416 D CA 1.145 55.188 54.000 0.072 0.000 0.826 416 D CB -0.253 40.596 40.800 0.081 0.000 0.971 416 D HN 0.310 nan 8.370 nan 0.000 0.453 417 E N 0.479 120.743 120.200 0.105 0.000 2.160 417 E HA -0.137 4.214 4.350 0.001 0.000 0.195 417 E C 2.320 179.005 176.600 0.141 0.000 0.991 417 E CA 0.434 56.901 56.400 0.113 0.000 0.810 417 E CB 0.059 29.803 29.700 0.072 0.000 0.742 417 E HN 0.305 nan 8.360 nan 0.000 0.466 418 I N 1.431 122.086 120.570 0.141 0.000 2.252 418 I HA -0.218 3.953 4.170 0.001 0.000 0.245 418 I C 1.668 177.872 176.117 0.144 0.000 1.102 418 I CA 1.182 62.597 61.300 0.193 0.000 1.385 418 I CB -0.577 37.487 38.000 0.107 0.000 1.064 418 I HN 0.096 nan 8.210 nan 0.000 0.414 419 D N 0.867 121.318 120.400 0.086 0.000 2.097 419 D HA -0.161 4.480 4.640 0.001 0.000 0.197 419 D C 2.093 178.413 176.300 0.033 0.000 0.984 419 D CA 0.894 54.928 54.000 0.056 0.000 0.826 419 D CB -0.333 40.495 40.800 0.045 0.000 0.973 419 D HN 0.145 nan 8.370 nan 0.000 0.460 420 L N 1.133 122.374 121.223 0.031 0.000 1.990 420 L HA -0.094 4.246 4.340 0.001 0.000 0.213 420 L C 2.231 179.049 176.870 -0.086 0.000 1.072 420 L CA 2.405 57.243 54.840 -0.002 0.000 0.755 420 L CB -1.079 41.003 42.059 0.038 0.000 0.889 420 L HN 0.082 nan 8.230 nan 0.000 0.432 421 G N -0.566 108.133 108.800 -0.167 0.000 2.440 421 G HA2 -0.254 3.706 3.960 0.001 0.000 0.218 421 G HA3 -0.254 3.706 3.960 0.001 0.000 0.218 421 G C 1.529 176.294 174.900 -0.225 0.000 1.154 421 G CA 0.896 45.725 45.100 -0.452 0.000 0.767 421 G HN 0.354 nan 8.290 nan 0.000 0.552 422 L N 1.822 123.016 121.223 -0.049 0.000 2.083 422 L HA -0.060 4.281 4.340 0.001 0.000 0.209 422 L C 3.174 180.032 176.870 -0.020 0.000 1.083 422 L CA 2.085 56.925 54.840 0.000 0.000 0.752 422 L CB -0.959 41.127 42.059 0.046 0.000 0.899 422 L HN 0.380 nan 8.230 nan 0.000 0.433 423 S N -1.038 114.647 115.700 -0.026 0.000 2.357 423 S HA -0.115 4.355 4.470 0.001 0.000 0.221 423 S C 2.083 176.658 174.600 -0.043 0.000 1.031 423 S CA 0.760 58.950 58.200 -0.017 0.000 0.982 423 S CB -0.624 62.570 63.200 -0.010 0.000 0.853 423 S HN 0.359 nan 8.310 nan 0.000 0.458 424 L N 1.128 122.299 121.223 -0.087 0.000 2.012 424 L HA -0.073 4.268 4.340 0.001 0.000 0.210 424 L C 2.673 179.468 176.870 -0.126 0.000 1.073 424 L CA 1.253 56.027 54.840 -0.110 0.000 0.748 424 L CB -0.634 41.331 42.059 -0.158 0.000 0.891 424 L HN 0.316 nan 8.230 nan 0.000 0.431 425 L N -0.118 121.011 121.223 -0.157 0.000 2.083 425 L HA -0.149 4.192 4.340 0.001 0.000 0.209 425 L C 2.413 179.201 176.870 -0.136 0.000 1.083 425 L CA 1.769 56.500 54.840 -0.183 0.000 0.752 425 L CB -0.783 41.158 42.059 -0.195 0.000 0.899 425 L HN 0.321 nan 8.230 nan 0.000 0.433 426 G N -1.049 107.725 108.800 -0.043 0.000 2.404 426 G HA2 -0.273 3.687 3.960 0.001 0.000 0.215 426 G HA3 -0.273 3.687 3.960 0.001 0.000 0.215 426 G C 1.383 176.295 174.900 0.019 0.000 1.174 426 G CA 0.354 45.490 45.100 0.061 0.000 0.780 426 G HN 0.437 nan 8.290 nan 0.000 0.537 427 Q N 0.199 119.997 119.800 -0.003 0.000 2.084 427 Q HA -0.052 4.288 4.340 0.001 0.000 0.202 427 Q C 3.014 178.981 176.000 -0.054 0.000 0.978 427 Q CA 1.278 57.075 55.803 -0.009 0.000 0.844 427 Q CB -0.279 28.448 28.738 -0.019 0.000 0.898 427 Q HN 0.481 nan 8.270 nan 0.000 0.426 428 A N 0.743 123.504 122.820 -0.098 0.000 1.933 428 A HA -0.162 4.158 4.320 0.001 0.000 0.218 428 A C 2.004 179.493 177.584 -0.158 0.000 1.175 428 A CA 1.116 53.084 52.037 -0.116 0.000 0.628 428 A CB -0.517 18.401 19.000 -0.136 0.000 0.814 428 A HN 0.293 nan 8.150 nan 0.000 0.444 429 I N -0.831 119.581 120.570 -0.264 0.000 2.315 429 I HA -0.208 3.963 4.170 0.001 0.000 0.248 429 I C 2.468 178.375 176.117 -0.349 0.000 1.117 429 I CA 1.339 62.382 61.300 -0.428 0.000 1.404 429 I CB -0.220 37.255 38.000 -0.874 0.000 1.071 429 I HN 0.420 nan 8.210 nan 0.000 0.419 430 E N 0.832 120.915 120.200 -0.194 0.000 2.031 430 E HA -0.220 4.131 4.350 0.001 0.000 0.193 430 E C 2.351 178.954 176.600 0.005 0.000 0.994 430 E CA 1.175 57.589 56.400 0.023 0.000 0.800 430 E CB 0.049 29.827 29.700 0.130 0.000 0.752 430 E HN 0.377 nan 8.360 nan 0.000 0.447 431 R N -0.077 120.412 120.500 -0.018 0.000 2.120 431 R HA -0.085 4.255 4.340 0.001 0.000 0.234 431 R C 2.152 178.438 176.300 -0.023 0.000 1.123 431 R CA 1.015 57.106 56.100 -0.015 0.000 0.975 431 R CB -0.216 30.070 30.300 -0.023 0.000 0.866 431 R HN 0.100 nan 8.270 nan 0.000 0.446 432 A N 1.338 124.129 122.820 -0.047 0.000 2.119 432 A HA 0.097 4.417 4.320 0.001 0.000 0.216 432 A C 1.285 178.853 177.584 -0.027 0.000 1.152 432 A CA 0.213 52.227 52.037 -0.039 0.000 0.708 432 A CB -0.133 18.836 19.000 -0.051 0.000 0.805 432 A HN 0.058 nan 8.150 nan 0.000 0.460 433 L N 0.000 121.209 121.223 -0.023 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.842 54.840 0.003 0.000 0.813 433 L CB 0.000 42.080 42.059 0.036 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502