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 1d7u_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARQHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSGM 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 0.000 176.878 176.870 0.014 0.000 1.165 3 L CA 0.000 54.846 54.840 0.010 0.000 0.813 3 L CB 0.000 42.073 42.059 0.024 0.000 0.961 4 N N 0.323 119.045 118.700 0.037 0.000 2.585 4 N HA -0.103 4.638 4.740 0.000 0.000 0.188 4 N C 0.180 175.829 175.510 0.232 0.000 1.102 4 N CA 0.928 54.028 53.050 0.084 0.000 0.920 4 N CB 0.067 38.621 38.487 0.112 0.000 0.963 4 N HN 0.491 nan 8.380 nan 0.000 0.447 5 D N 0.367 120.867 120.400 0.167 0.000 2.328 5 D HA -0.059 4.581 4.640 0.000 0.000 0.226 5 D C 0.058 176.521 176.300 0.271 0.000 1.066 5 D CA 0.028 54.166 54.000 0.229 0.000 0.861 5 D CB -0.297 40.570 40.800 0.111 0.000 0.912 5 D HN 0.108 nan 8.370 nan 0.000 0.521 6 D N 1.241 121.752 120.400 0.186 0.000 2.899 6 D HA -0.121 4.519 4.640 0.000 0.000 0.254 6 D C 1.175 177.648 176.300 0.287 0.000 1.320 6 D CA 0.048 54.142 54.000 0.158 0.000 0.929 6 D CB 0.539 41.370 40.800 0.050 0.000 1.148 6 D HN 0.089 nan 8.370 nan 0.000 0.571 7 A N 3.521 126.476 122.820 0.226 0.000 2.121 7 A HA -0.112 4.208 4.320 0.000 0.000 0.218 7 A C 2.179 179.882 177.584 0.198 0.000 1.154 7 A CA 1.248 53.427 52.037 0.236 0.000 0.679 7 A CB -0.033 19.058 19.000 0.152 0.000 0.795 7 A HN 0.600 nan 8.150 nan 0.000 0.458 8 T N -1.044 113.604 114.554 0.156 0.000 2.857 8 T HA -0.045 4.305 4.350 0.000 0.000 0.266 8 T C 1.530 176.289 174.700 0.098 0.000 1.048 8 T CA 1.311 63.476 62.100 0.108 0.000 1.139 8 T CB -0.338 68.581 68.868 0.085 0.000 0.874 8 T HN 0.525 nan 8.240 nan 0.000 0.455 9 F N 0.548 120.469 119.950 -0.049 0.000 2.026 9 F HA -0.123 4.404 4.527 0.000 0.000 0.296 9 F C 1.773 177.449 175.800 -0.206 0.000 1.133 9 F CA 1.423 59.302 58.000 -0.202 0.000 1.188 9 F CB -0.476 38.303 39.000 -0.369 0.000 0.968 9 F HN 0.208 nan 8.300 nan 0.000 0.476 10 W N 0.737 122.166 121.300 0.216 0.000 2.421 10 W HA -0.063 4.597 4.660 0.001 0.000 0.270 10 W C 2.694 179.189 176.519 -0.041 0.000 1.233 10 W CA 1.083 58.469 57.345 0.070 0.000 1.226 10 W CB -0.391 29.173 29.460 0.172 0.000 1.121 10 W HN 0.004 nan 8.180 nan 0.000 0.579 11 R N 0.763 121.353 120.500 0.151 0.000 2.062 11 R HA -0.136 4.204 4.340 0.000 0.000 0.229 11 R C 1.735 178.005 176.300 -0.050 0.000 1.128 11 R CA 1.619 57.754 56.100 0.058 0.000 0.960 11 R CB -0.510 29.821 30.300 0.052 0.000 0.855 11 R HN 0.081 nan 8.270 nan 0.000 0.432 12 N N 0.874 119.518 118.700 -0.093 0.000 2.188 12 N HA -0.110 4.630 4.740 0.000 0.000 0.184 12 N C 1.593 177.003 175.510 -0.168 0.000 1.018 12 N CA 1.391 54.379 53.050 -0.103 0.000 0.858 12 N CB -0.313 38.137 38.487 -0.061 0.000 0.989 12 N HN 0.322 nan 8.380 nan 0.000 0.426 13 A N 1.342 123.987 122.820 -0.291 0.000 1.877 13 A HA -0.108 4.213 4.320 0.000 0.000 0.216 13 A C 2.291 179.845 177.584 -0.050 0.000 1.186 13 A CA 1.209 53.087 52.037 -0.266 0.000 0.620 13 A CB -0.468 18.319 19.000 -0.356 0.000 0.822 13 A HN 0.185 nan 8.150 nan 0.000 0.443 14 R N -1.015 119.493 120.500 0.012 0.000 2.096 14 R HA -0.134 4.207 4.340 0.000 0.000 0.235 14 R C 2.472 178.740 176.300 -0.052 0.000 1.127 14 R CA 1.787 57.910 56.100 0.040 0.000 0.968 14 R CB -0.217 30.117 30.300 0.057 0.000 0.861 14 R HN 0.687 nan 8.270 nan 0.000 0.440 15 Q N -1.287 118.393 119.800 -0.199 0.000 2.187 15 Q HA -0.063 4.278 4.340 0.000 0.000 0.199 15 Q C 0.655 176.408 176.000 -0.412 0.000 0.957 15 Q CA 0.874 56.439 55.803 -0.397 0.000 0.857 15 Q CB 0.472 28.743 28.738 -0.779 0.000 0.929 15 Q HN 0.532 nan 8.270 nan 0.000 0.453 16 H N -1.503 117.562 119.070 -0.009 0.000 2.785 16 H HA 0.295 4.851 4.556 0.000 0.000 0.268 16 H C -0.365 174.970 175.328 0.012 0.000 1.153 16 H CA 0.011 56.055 56.048 -0.006 0.000 1.111 16 H CB 0.692 30.436 29.762 -0.030 0.000 1.633 16 H HN 0.082 nan 8.280 nan 0.000 0.576 17 L N 1.471 122.767 121.223 0.121 0.000 2.329 17 L HA 0.364 4.704 4.340 0.000 0.000 0.279 17 L C 0.119 177.112 176.870 0.206 0.000 1.014 17 L CA -1.027 53.911 54.840 0.163 0.000 0.814 17 L CB 2.710 44.869 42.059 0.166 0.000 1.257 17 L HN -0.174 nan 8.230 nan 0.000 0.424 18 V N 3.372 123.424 119.914 0.231 0.000 2.530 18 V HA 0.239 4.359 4.120 0.000 0.000 0.282 18 V C 0.438 176.707 176.094 0.291 0.000 1.048 18 V CA -0.415 62.014 62.300 0.215 0.000 0.997 18 V CB 1.206 33.147 31.823 0.196 0.000 0.987 18 V HN 0.668 nan 8.190 nan 0.000 0.477 19 R N 3.638 124.227 120.500 0.147 0.000 2.340 19 R HA 0.287 4.627 4.340 0.000 0.000 0.300 19 R C -0.241 176.066 176.300 0.012 0.000 1.069 19 R CA -0.143 55.929 56.100 -0.046 0.000 0.984 19 R CB 0.483 30.707 30.300 -0.127 0.000 1.003 19 R HN 0.860 nan 8.270 nan 0.000 0.459 20 Y N -0.629 119.647 120.300 -0.039 0.000 2.682 20 Y HA 0.533 5.083 4.550 0.000 0.000 0.251 20 Y C 0.280 176.172 175.900 -0.013 0.000 1.172 20 Y CA -0.567 57.535 58.100 0.004 0.000 1.186 20 Y CB 0.791 39.288 38.460 0.061 0.000 1.216 20 Y HN 0.691 nan 8.280 nan 0.000 0.540 21 G N -0.445 108.268 108.800 -0.144 0.000 2.653 21 G HA2 0.453 4.414 3.960 0.000 0.000 0.656 21 G HA3 0.453 4.414 3.960 0.000 0.000 0.656 21 G C -0.083 174.672 174.900 -0.241 0.000 1.419 21 G CA -0.434 44.610 45.100 -0.093 0.000 0.862 21 G HN 1.370 nan 8.290 nan 0.000 0.639 22 G N 0.106 108.793 108.800 -0.189 0.000 2.598 22 G HA2 0.441 4.401 3.960 0.000 0.000 0.244 22 G HA3 0.441 4.401 3.960 0.000 0.000 0.244 22 G C 0.217 174.931 174.900 -0.310 0.000 1.302 22 G CA 0.694 45.671 45.100 -0.205 0.000 0.903 22 G HN 2.660 nan 8.290 nan 0.000 0.575 23 T N -1.563 112.825 114.554 -0.277 0.000 2.906 23 T HA 0.649 4.999 4.350 0.000 0.000 0.295 23 T C -0.367 174.205 174.700 -0.214 0.000 1.061 23 T CA -0.693 61.234 62.100 -0.288 0.000 1.000 23 T CB 1.920 70.710 68.868 -0.130 0.000 1.103 23 T HN 0.635 nan 8.240 nan 0.000 0.486 24 F N 1.551 121.502 119.950 0.001 0.000 2.427 24 F HA 0.306 4.833 4.527 0.000 0.000 0.352 24 F C 1.263 177.135 175.800 0.121 0.000 1.100 24 F CA -0.993 57.065 58.000 0.096 0.000 1.191 24 F CB 0.777 39.911 39.000 0.222 0.000 1.128 24 F HN 0.393 nan 8.300 nan 0.000 0.533 25 E N 4.551 124.963 120.200 0.353 0.000 2.414 25 E HA 0.026 4.376 4.350 0.000 0.000 0.263 25 E C -1.911 174.871 176.600 0.303 0.000 1.000 25 E CA -1.534 55.006 56.400 0.234 0.000 0.914 25 E CB 0.406 30.224 29.700 0.197 0.000 0.948 25 E HN 0.235 nan 8.360 nan 0.000 0.444 26 P HA 0.067 nan 4.420 nan 0.000 0.228 26 P C -0.353 177.082 177.300 0.224 0.000 1.748 26 P CA 0.321 63.423 63.100 0.004 0.000 0.909 26 P CB -0.394 31.206 31.700 -0.166 0.000 1.882 27 M N -1.057 118.805 119.600 0.437 0.000 2.622 27 M HA 0.541 5.021 4.480 0.000 0.000 0.276 27 M C -1.727 174.712 176.300 0.232 0.000 1.265 27 M CA -1.365 54.117 55.300 0.304 0.000 0.850 27 M CB 2.046 34.731 32.600 0.142 0.000 1.720 27 M HN -0.327 nan 8.290 nan 0.000 0.465 28 I N 2.881 123.439 120.570 -0.020 0.000 2.355 28 I HA 0.368 4.538 4.170 0.000 0.000 0.288 28 I C -0.682 175.355 176.117 -0.134 0.000 0.999 28 I CA -0.907 60.220 61.300 -0.288 0.000 1.163 28 I CB 1.626 39.193 38.000 -0.721 0.000 1.316 28 I HN 0.518 nan 8.210 nan 0.000 0.454 29 I N 6.656 127.184 120.570 -0.071 0.000 2.337 29 I HA 0.126 4.296 4.170 0.000 0.000 0.291 29 I C 1.297 177.395 176.117 -0.031 0.000 1.046 29 I CA 0.279 61.565 61.300 -0.022 0.000 1.324 29 I CB 0.796 38.797 38.000 0.001 0.000 1.409 29 I HN 0.679 nan 8.210 nan 0.000 0.494 30 E N 5.922 126.118 120.200 -0.006 0.000 2.201 30 E HA 0.055 4.405 4.350 0.000 0.000 0.193 30 E C 0.580 177.193 176.600 0.022 0.000 0.957 30 E CA 0.369 56.764 56.400 -0.008 0.000 0.858 30 E CB 0.693 30.381 29.700 -0.020 0.000 0.816 30 E HN 0.655 nan 8.360 nan 0.000 0.475 31 R N -0.474 120.073 120.500 0.077 0.000 2.752 31 R HA 0.718 5.058 4.340 0.000 0.000 0.271 31 R C -1.687 174.726 176.300 0.188 0.000 1.026 31 R CA -0.748 55.411 56.100 0.098 0.000 0.901 31 R CB 1.528 31.849 30.300 0.034 0.000 1.243 31 R HN -0.058 nan 8.270 nan 0.000 0.463 32 A N 1.352 124.263 122.820 0.152 0.000 2.520 32 A HA 0.737 5.058 4.320 0.000 0.000 0.298 32 A C -1.538 176.180 177.584 0.224 0.000 1.051 32 A CA -0.797 51.288 52.037 0.079 0.000 0.690 32 A CB 2.121 20.943 19.000 -0.296 0.000 1.281 32 A HN 0.674 nan 8.150 nan 0.000 0.402 33 K N 1.370 121.967 120.400 0.329 0.000 2.570 33 K HA 0.508 4.828 4.320 0.000 0.000 0.256 33 K C 0.476 177.288 176.600 0.354 0.000 0.939 33 K CA 0.358 56.844 56.287 0.331 0.000 0.833 33 K CB 1.596 34.264 32.500 0.279 0.000 1.318 33 K HN 2.397 nan 8.250 nan 0.000 0.433 34 G N 1.828 110.795 108.800 0.279 0.000 2.611 34 G HA2 -0.323 3.637 3.960 0.000 0.000 0.301 34 G HA3 -0.323 3.637 3.960 0.000 0.000 0.301 34 G C 0.359 175.391 174.900 0.220 0.000 1.233 34 G CA 0.431 45.668 45.100 0.228 0.000 0.993 34 G HN 0.548 nan 8.290 nan 0.000 0.553 35 S N 0.710 116.474 115.700 0.108 0.000 2.671 35 S HA 0.481 4.951 4.470 0.000 0.000 0.220 35 S C -0.054 174.294 174.600 -0.421 0.000 0.951 35 S CA 0.494 58.612 58.200 -0.137 0.000 0.932 35 S CB -0.257 62.772 63.200 -0.285 0.000 0.777 35 S HN 0.385 nan 8.310 nan 0.000 0.508 36 F N 0.815 120.801 119.950 0.061 0.000 2.577 36 F HA 0.598 5.125 4.527 -0.000 0.000 0.318 36 F C -0.092 175.487 175.800 -0.368 0.000 1.065 36 F CA -1.302 56.579 58.000 -0.199 0.000 0.929 36 F CB 1.581 40.338 39.000 -0.405 0.000 1.237 36 F HN -0.135 nan 8.300 nan 0.000 0.468 37 V N -0.321 119.413 119.914 -0.301 0.000 2.715 37 V HA 0.662 4.782 4.120 0.000 0.000 0.310 37 V C -1.736 174.085 176.094 -0.454 0.000 1.054 37 V CA -1.019 61.084 62.300 -0.327 0.000 0.928 37 V CB 1.680 33.372 31.823 -0.219 0.000 1.007 37 V HN 0.639 nan 8.190 nan 0.000 0.437 38 Y N 2.155 122.451 120.300 -0.005 0.000 2.409 38 Y HA 0.622 5.173 4.550 0.000 0.000 0.343 38 Y C 0.219 176.106 175.900 -0.021 0.000 0.973 38 Y CA -0.811 57.286 58.100 -0.005 0.000 1.064 38 Y CB 1.516 39.964 38.460 -0.020 0.000 1.207 38 Y HN 0.976 nan 8.280 nan 0.000 0.452 39 D N 1.006 121.471 120.400 0.108 0.000 2.440 39 D HA 0.282 4.922 4.640 0.000 0.000 0.269 39 D C 1.103 177.420 176.300 0.029 0.000 1.249 39 D CA -0.186 53.843 54.000 0.049 0.000 1.055 39 D CB 0.502 41.324 40.800 0.036 0.000 1.104 39 D HN 0.528 nan 8.370 nan 0.000 0.561 40 A N -0.572 122.239 122.820 -0.015 0.000 2.015 40 A HA -0.126 4.195 4.320 0.000 0.000 0.219 40 A C 1.492 179.068 177.584 -0.015 0.000 1.163 40 A CA 1.299 53.312 52.037 -0.040 0.000 0.646 40 A CB -0.575 18.374 19.000 -0.086 0.000 0.806 40 A HN 0.521 nan 8.150 nan 0.000 0.448 41 D N -1.222 119.181 120.400 0.005 0.000 2.363 41 D HA 0.201 4.841 4.640 0.000 0.000 0.220 41 D C 1.470 177.779 176.300 0.015 0.000 0.994 41 D CA 1.190 55.195 54.000 0.008 0.000 0.890 41 D CB 0.059 40.867 40.800 0.014 0.000 0.906 41 D HN 0.592 nan 8.370 nan 0.000 0.530 42 G N 1.309 110.130 108.800 0.036 0.000 2.175 42 G HA2 -0.326 3.634 3.960 0.000 0.000 0.244 42 G HA3 -0.326 3.634 3.960 0.000 0.000 0.244 42 G C 0.494 175.470 174.900 0.128 0.000 0.982 42 G CA -0.014 45.119 45.100 0.055 0.000 0.641 42 G HN 0.403 nan 8.290 nan 0.000 0.527 43 R N 0.948 121.507 120.500 0.098 0.000 2.449 43 R HA 0.544 4.884 4.340 0.000 0.000 0.296 43 R C 0.771 177.127 176.300 0.093 0.000 1.047 43 R CA 0.417 56.566 56.100 0.081 0.000 1.018 43 R CB 0.200 30.523 30.300 0.038 0.000 0.962 43 R HN 0.616 nan 8.270 nan 0.000 0.428 44 A N 5.804 128.651 122.820 0.045 0.000 2.362 44 A HA 0.338 4.658 4.320 0.000 0.000 0.276 44 A C -0.376 177.173 177.584 -0.058 0.000 1.153 44 A CA -0.437 51.486 52.037 -0.189 0.000 0.813 44 A CB 0.257 19.059 19.000 -0.330 0.000 1.081 44 A HN 0.727 nan 8.150 nan 0.000 0.507 45 I N 2.723 123.259 120.570 -0.057 0.000 2.389 45 I HA 0.223 4.393 4.170 0.000 0.000 0.288 45 I C -0.273 175.891 176.117 0.078 0.000 0.999 45 I CA -0.506 60.810 61.300 0.026 0.000 1.129 45 I CB 1.789 39.774 38.000 -0.026 0.000 1.288 45 I HN 0.629 nan 8.210 nan 0.000 0.444 46 L N 6.530 127.770 121.223 0.030 0.000 2.433 46 L HA 0.223 4.563 4.340 0.000 0.000 0.275 46 L C 0.130 176.880 176.870 -0.200 0.000 1.128 46 L CA 0.389 55.029 54.840 -0.334 0.000 0.875 46 L CB 0.119 41.978 42.059 -0.334 0.000 1.171 46 L HN 0.471 nan 8.230 nan 0.000 0.463 47 D N 4.547 124.846 120.400 -0.167 0.000 2.517 47 D HA 0.004 4.645 4.640 0.000 0.000 0.220 47 D C 0.476 176.868 176.300 0.154 0.000 1.158 47 D CA -0.003 54.013 54.000 0.028 0.000 0.992 47 D CB -0.044 40.824 40.800 0.112 0.000 1.058 47 D HN 0.459 nan 8.370 nan 0.000 0.516 48 F N 1.107 121.003 119.950 -0.091 0.000 2.795 48 F HA 0.021 4.548 4.527 0.000 0.000 0.303 48 F C 2.048 177.822 175.800 -0.044 0.000 1.186 48 F CA 0.487 58.440 58.000 -0.078 0.000 1.415 48 F CB -0.147 38.807 39.000 -0.078 0.000 1.106 48 F HN 0.302 nan 8.300 nan 0.000 0.558 49 T N -5.971 108.640 114.554 0.095 0.000 3.058 49 T HA 0.137 4.487 4.350 0.000 0.000 0.278 49 T C 0.822 175.524 174.700 0.004 0.000 0.974 49 T CA 0.433 62.552 62.100 0.033 0.000 0.893 49 T CB -0.199 68.701 68.868 0.054 0.000 1.138 49 T HN -0.092 nan 8.240 nan 0.000 0.529 50 S N 1.060 116.762 115.700 0.004 0.000 3.614 50 S HA -0.000 4.470 4.470 0.000 0.000 0.360 50 S C 1.511 176.102 174.600 -0.015 0.000 1.023 50 S CA 1.051 59.224 58.200 -0.045 0.000 1.114 50 S CB -1.950 61.199 63.200 -0.085 0.000 0.907 50 S HN 1.910 nan 8.310 nan 0.000 0.470 51 G N 0.909 109.757 108.800 0.080 0.000 2.536 51 G HA2 -0.357 3.603 3.960 0.000 0.000 0.277 51 G HA3 -0.357 3.603 3.960 0.000 0.000 0.277 51 G C -0.091 174.848 174.900 0.065 0.000 1.155 51 G CA 0.626 45.796 45.100 0.116 0.000 0.960 51 G HN 0.802 nan 8.290 nan 0.000 0.544 52 Q N 0.479 120.308 119.800 0.049 0.000 2.579 52 Q HA 0.676 5.016 4.340 0.000 0.000 0.344 52 Q C 0.819 176.819 176.000 0.000 0.000 0.997 52 Q CA 0.561 56.379 55.803 0.025 0.000 0.991 52 Q CB -0.875 27.884 28.738 0.035 0.000 1.279 52 Q HN 0.692 nan 8.270 nan 0.000 0.420 53 M N -1.244 118.350 119.600 -0.009 0.000 2.537 53 M HA -0.280 4.200 4.480 0.000 0.000 0.205 53 M C 0.228 176.510 176.300 -0.030 0.000 0.450 53 M CA 0.981 56.264 55.300 -0.028 0.000 0.553 53 M CB -1.956 30.624 32.600 -0.032 0.000 2.046 53 M HN 0.223 nan 8.290 nan 0.000 0.797 54 S N -1.603 114.077 115.700 -0.034 0.000 2.593 54 S HA 0.462 4.932 4.470 0.000 0.000 0.235 54 S C 1.028 175.585 174.600 -0.073 0.000 1.059 54 S CA 0.140 58.318 58.200 -0.037 0.000 0.953 54 S CB 0.768 63.960 63.200 -0.014 0.000 0.897 54 S HN 0.679 nan 8.310 nan 0.000 0.507 55 A N 2.140 124.888 122.820 -0.121 0.000 3.030 55 A HA 0.373 4.693 4.320 0.000 0.000 0.273 55 A C 1.367 178.859 177.584 -0.154 0.000 1.841 55 A CA -0.072 51.847 52.037 -0.198 0.000 1.479 55 A CB -0.805 17.917 19.000 -0.464 0.000 1.048 55 A HN 0.226 nan 8.150 nan 0.000 0.612 56 V N 1.934 121.783 119.914 -0.108 0.000 2.392 56 V HA -0.180 3.940 4.120 0.000 0.000 0.249 56 V C 1.673 177.714 176.094 -0.087 0.000 1.059 56 V CA 2.227 64.469 62.300 -0.095 0.000 1.051 56 V CB -0.203 31.567 31.823 -0.088 0.000 0.658 56 V HN 0.783 nan 8.190 nan 0.000 0.455 57 L N 0.194 121.366 121.223 -0.086 0.000 2.741 57 L HA 0.495 4.836 4.340 0.000 0.000 0.237 57 L C 0.960 177.864 176.870 0.056 0.000 1.178 57 L CA 0.291 55.112 54.840 -0.031 0.000 0.973 57 L CB -0.751 41.206 42.059 -0.169 0.000 1.255 57 L HN 0.487 nan 8.230 nan 0.000 0.498 58 G N 0.021 108.790 108.800 -0.051 0.000 2.855 58 G HA2 -0.216 3.744 3.960 0.000 0.000 0.352 58 G HA3 -0.216 3.744 3.960 0.000 0.000 0.352 58 G C -0.448 174.378 174.900 -0.123 0.000 1.415 58 G CA -0.790 44.259 45.100 -0.085 0.000 0.871 58 G HN 0.307 nan 8.290 nan 0.000 0.543 59 H N -0.838 118.284 119.070 0.086 0.000 2.652 59 H HA 0.294 4.850 4.556 0.000 0.000 0.349 59 H C 1.426 176.821 175.328 0.112 0.000 1.099 59 H CA 0.771 56.876 56.048 0.095 0.000 1.417 59 H CB 0.496 30.318 29.762 0.100 0.000 1.457 59 H HN 1.264 nan 8.280 nan 0.000 0.568 60 C N 2.520 121.950 119.300 0.216 0.000 3.727 60 C HA -0.200 4.261 4.460 0.000 0.000 0.293 60 C C 0.950 176.030 174.990 0.150 0.000 1.339 60 C CA 0.345 59.462 59.018 0.165 0.000 2.150 60 C CB -3.360 24.469 27.740 0.148 0.000 1.383 60 C HN 0.842 nan 8.230 nan 0.000 0.614 61 H N 1.656 120.762 119.070 0.061 0.000 2.848 61 H HA 0.242 4.798 4.556 0.000 0.000 0.317 61 H C -0.636 174.718 175.328 0.043 0.000 1.046 61 H CA -0.611 55.465 56.048 0.046 0.000 1.470 61 H CB 0.947 30.724 29.762 0.025 0.000 1.483 61 H HN 0.184 nan 8.280 nan 0.000 0.548 62 P HA -0.265 nan 4.420 nan 0.000 0.218 62 P C 0.701 178.088 177.300 0.146 0.000 1.154 62 P CA 1.686 64.796 63.100 0.016 0.000 0.872 62 P CB 0.277 31.924 31.700 -0.089 0.000 0.790 63 E N -1.103 119.304 120.200 0.345 0.000 2.208 63 E HA -0.084 4.266 4.350 0.000 0.000 0.193 63 E C 1.973 178.673 176.600 0.168 0.000 0.988 63 E CA 0.745 57.292 56.400 0.246 0.000 0.828 63 E CB -0.416 29.441 29.700 0.261 0.000 0.763 63 E HN 0.243 nan 8.360 nan 0.000 0.478 64 I N 1.088 121.773 120.570 0.192 0.000 2.233 64 I HA -0.172 3.998 4.170 0.000 0.000 0.243 64 I C 2.536 178.715 176.117 0.102 0.000 1.093 64 I CA 0.770 62.131 61.300 0.102 0.000 1.380 64 I CB -1.116 36.940 38.000 0.093 0.000 1.067 64 I HN -0.053 nan 8.210 nan 0.000 0.413 65 V N 0.954 120.937 119.914 0.114 0.000 2.332 65 V HA -0.297 3.823 4.120 0.000 0.000 0.248 65 V C 2.841 178.984 176.094 0.081 0.000 1.055 65 V CA 2.206 64.559 62.300 0.088 0.000 1.038 65 V CB -0.882 30.986 31.823 0.076 0.000 0.651 65 V HN 0.523 nan 8.190 nan 0.000 0.450 66 S N -0.592 115.159 115.700 0.086 0.000 2.348 66 S HA -0.188 4.282 4.470 0.000 0.000 0.221 66 S C 2.093 176.752 174.600 0.098 0.000 1.033 66 S CA 2.016 60.262 58.200 0.078 0.000 1.010 66 S CB -0.336 62.909 63.200 0.074 0.000 0.891 66 S HN 0.315 nan 8.310 nan 0.000 0.442 67 V N 1.370 121.357 119.914 0.122 0.000 2.343 67 V HA -0.089 4.031 4.120 0.000 0.000 0.247 67 V C 2.288 178.518 176.094 0.226 0.000 1.051 67 V CA 2.148 64.561 62.300 0.188 0.000 1.036 67 V CB -0.580 31.335 31.823 0.152 0.000 0.654 67 V HN 0.651 nan 8.190 nan 0.000 0.451 68 I N 0.384 121.039 120.570 0.142 0.000 2.208 68 I HA -0.163 4.007 4.170 0.000 0.000 0.245 68 I C 2.514 178.707 176.117 0.127 0.000 1.097 68 I CA 1.705 63.081 61.300 0.126 0.000 1.363 68 I CB -0.936 37.114 38.000 0.083 0.000 1.051 68 I HN 0.447 nan 8.210 nan 0.000 0.413 69 G N -0.067 108.790 108.800 0.095 0.000 2.552 69 G HA2 -0.330 3.630 3.960 0.000 0.000 0.216 69 G HA3 -0.330 3.630 3.960 0.000 0.000 0.216 69 G C 1.431 176.362 174.900 0.052 0.000 1.240 69 G CA 0.972 46.110 45.100 0.064 0.000 0.796 69 G HN 0.429 nan 8.290 nan 0.000 0.568 70 E N -0.704 119.517 120.200 0.035 0.000 2.200 70 E HA -0.292 4.058 4.350 0.000 0.000 0.211 70 E C 2.105 178.579 176.600 -0.211 0.000 1.048 70 E CA 1.849 58.200 56.400 -0.082 0.000 0.851 70 E CB -0.247 29.418 29.700 -0.058 0.000 0.747 70 E HN 0.667 nan 8.360 nan 0.000 0.462 71 Y N -1.209 119.105 120.300 0.024 0.000 2.503 71 Y HA 0.227 4.778 4.550 0.002 0.000 0.277 71 Y C 2.085 178.003 175.900 0.031 0.000 1.102 71 Y CA 0.455 58.571 58.100 0.027 0.000 1.261 71 Y CB -0.103 38.373 38.460 0.027 0.000 1.096 71 Y HN 0.124 nan 8.280 nan 0.000 0.546 72 A N 0.182 123.093 122.820 0.151 0.000 1.917 72 A HA -0.179 4.141 4.320 0.000 0.000 0.219 72 A C 2.376 180.001 177.584 0.068 0.000 1.182 72 A CA 2.050 54.148 52.037 0.101 0.000 0.633 72 A CB -1.331 17.714 19.000 0.074 0.000 0.819 72 A HN 0.438 nan 8.150 nan 0.000 0.448 73 G N -1.505 107.316 108.800 0.036 0.000 3.042 73 G HA2 0.173 4.133 3.960 0.000 0.000 0.212 73 G HA3 0.173 4.133 3.960 0.000 0.000 0.212 73 G C 1.235 176.132 174.900 -0.005 0.000 1.166 73 G CA 0.882 45.990 45.100 0.014 0.000 0.767 73 G HN 0.634 nan 8.290 nan 0.000 0.546 74 K N -1.282 119.108 120.400 -0.016 0.000 2.362 74 K HA 0.362 4.682 4.320 0.000 0.000 0.203 74 K C -0.461 176.155 176.600 0.027 0.000 1.198 74 K CA -0.139 56.122 56.287 -0.044 0.000 0.908 74 K CB 0.426 32.814 32.500 -0.186 0.000 1.236 74 K HN 0.078 nan 8.250 nan 0.000 0.487 75 L N 2.785 124.074 121.223 0.110 0.000 2.541 75 L HA 0.274 4.614 4.340 0.000 0.000 0.266 75 L C -1.087 175.901 176.870 0.197 0.000 0.966 75 L CA -0.280 54.661 54.840 0.168 0.000 0.871 75 L CB 1.839 44.047 42.059 0.248 0.000 1.232 75 L HN 0.423 nan 8.230 nan 0.000 0.408 76 D N 1.907 122.396 120.400 0.149 0.000 3.012 76 D HA 0.142 4.782 4.640 0.000 0.000 0.284 76 D C 0.164 176.576 176.300 0.187 0.000 1.259 76 D CA 0.629 54.726 54.000 0.162 0.000 1.036 76 D CB 0.141 41.032 40.800 0.152 0.000 1.167 76 D HN 0.514 nan 8.370 nan 0.000 0.429 77 H N -0.808 118.316 119.070 0.090 0.000 2.806 77 H HA 0.688 5.244 4.556 0.000 0.000 0.367 77 H C -1.513 173.866 175.328 0.084 0.000 1.136 77 H CA -0.814 55.291 56.048 0.095 0.000 1.178 77 H CB 1.397 31.230 29.762 0.118 0.000 1.718 77 H HN 0.076 nan 8.280 nan 0.000 0.540 78 L N 3.215 123.998 121.223 -0.734 0.000 2.341 78 L HA 0.359 4.700 4.340 0.000 0.000 0.254 78 L C -0.559 176.067 176.870 -0.408 0.000 1.040 78 L CA -1.407 53.184 54.840 -0.414 0.000 0.837 78 L CB 1.620 43.595 42.059 -0.141 0.000 1.425 78 L HN 0.562 nan 8.230 nan 0.000 0.414 79 F N 0.415 120.232 119.950 -0.221 0.000 2.607 79 F HA -0.011 4.516 4.527 -0.000 0.000 0.374 79 F C 1.319 177.051 175.800 -0.112 0.000 1.104 79 F CA 0.147 58.088 58.000 -0.099 0.000 1.296 79 F CB 0.920 39.911 39.000 -0.014 0.000 1.085 79 F HN 0.444 nan 8.300 nan 0.000 0.584 80 S N 3.469 118.674 115.700 -0.826 0.000 2.584 80 S HA -0.041 4.429 4.470 0.000 0.000 0.240 80 S C 1.834 176.067 174.600 -0.612 0.000 0.975 80 S CA 0.858 58.594 58.200 -0.773 0.000 0.949 80 S CB -0.441 62.144 63.200 -1.024 0.000 0.761 80 S HN 0.923 nan 8.310 nan 0.000 0.536 81 G N 0.289 108.645 108.800 -0.739 0.000 3.088 81 G HA2 0.312 4.272 3.960 0.000 0.000 0.217 81 G HA3 0.312 4.272 3.960 0.000 0.000 0.217 81 G C 0.195 175.130 174.900 0.057 0.000 1.159 81 G CA -0.337 44.667 45.100 -0.160 0.000 0.760 81 G HN 0.368 nan 8.290 nan 0.000 0.550 82 M N 1.487 121.121 119.600 0.055 0.000 2.180 82 M HA 0.436 4.916 4.480 0.000 0.000 0.350 82 M C -0.553 175.759 176.300 0.019 0.000 1.125 82 M CA -0.256 55.099 55.300 0.092 0.000 1.031 82 M CB 2.155 34.844 32.600 0.149 0.000 1.623 82 M HN -0.142 nan 8.290 nan 0.000 0.451 83 L N 1.884 123.122 121.223 0.025 0.000 2.416 83 L HA 0.679 5.019 4.340 0.000 0.000 0.262 83 L C 0.332 177.213 176.870 0.018 0.000 1.093 83 L CA -0.407 54.438 54.840 0.009 0.000 0.801 83 L CB 1.659 43.724 42.059 0.010 0.000 1.191 83 L HN 0.818 nan 8.230 nan 0.000 0.459 84 S N -0.202 115.505 115.700 0.013 0.000 2.638 84 S HA 0.467 4.937 4.470 0.000 0.000 0.274 84 S C 0.302 174.917 174.600 0.024 0.000 1.157 84 S CA -0.994 57.223 58.200 0.028 0.000 0.826 84 S CB 1.997 65.218 63.200 0.034 0.000 1.139 84 S HN 0.568 nan 8.310 nan 0.000 0.474 85 R N 0.565 121.090 120.500 0.042 0.000 2.083 85 R HA 0.031 4.371 4.340 0.000 0.000 0.237 85 R C -1.006 175.302 176.300 0.014 0.000 1.137 85 R CA 1.978 58.101 56.100 0.038 0.000 0.951 85 R CB -1.554 28.783 30.300 0.061 0.000 0.851 85 R HN 0.542 nan 8.270 nan 0.000 0.434 86 P HA -0.117 nan 4.420 nan 0.000 0.216 86 P C 1.286 178.549 177.300 -0.062 0.000 1.150 86 P CA 1.061 64.114 63.100 -0.078 0.000 0.837 86 P CB 0.032 31.599 31.700 -0.222 0.000 0.786 87 V N -0.373 119.514 119.914 -0.045 0.000 2.295 87 V HA -0.192 3.928 4.120 0.000 0.000 0.246 87 V C 2.524 178.604 176.094 -0.024 0.000 1.049 87 V CA 1.793 64.072 62.300 -0.035 0.000 1.024 87 V CB -1.240 30.564 31.823 -0.031 0.000 0.648 87 V HN -0.041 nan 8.190 nan 0.000 0.447 88 V N 0.176 120.081 119.914 -0.014 0.000 2.358 88 V HA -0.224 3.896 4.120 0.000 0.000 0.246 88 V C 2.289 178.378 176.094 -0.008 0.000 1.047 88 V CA 2.064 64.359 62.300 -0.009 0.000 1.035 88 V CB -0.730 31.092 31.823 -0.002 0.000 0.658 88 V HN 0.539 nan 8.190 nan 0.000 0.452 89 D N 0.038 120.434 120.400 -0.007 0.000 2.104 89 D HA -0.163 4.477 4.640 0.000 0.000 0.194 89 D C 1.965 178.260 176.300 -0.010 0.000 0.994 89 D CA 1.235 55.232 54.000 -0.005 0.000 0.830 89 D CB -0.379 40.420 40.800 -0.002 0.000 0.959 89 D HN 0.325 nan 8.370 nan 0.000 0.452 90 L N 0.938 122.149 121.223 -0.020 0.000 2.017 90 L HA -0.063 4.277 4.340 0.000 0.000 0.208 90 L C 2.126 178.990 176.870 -0.010 0.000 1.073 90 L CA 1.826 56.655 54.840 -0.018 0.000 0.745 90 L CB -0.946 41.094 42.059 -0.032 0.000 0.894 90 L HN -0.011 nan 8.230 nan 0.000 0.432 91 A N -1.508 121.303 122.820 -0.015 0.000 1.908 91 A HA -0.227 4.093 4.320 0.000 0.000 0.218 91 A C 2.246 179.824 177.584 -0.011 0.000 1.181 91 A CA 2.436 54.464 52.037 -0.015 0.000 0.627 91 A CB -1.269 17.720 19.000 -0.019 0.000 0.818 91 A HN 0.533 nan 8.150 nan 0.000 0.445 92 T N -0.573 113.977 114.554 -0.007 0.000 2.708 92 T HA -0.165 4.185 4.350 0.000 0.000 0.266 92 T C 2.074 176.777 174.700 0.004 0.000 1.037 92 T CA 1.735 63.833 62.100 -0.003 0.000 1.146 92 T CB -0.253 68.614 68.868 -0.001 0.000 0.865 92 T HN 0.546 nan 8.240 nan 0.000 0.435 93 R N 1.214 121.718 120.500 0.008 0.000 2.083 93 R HA 0.022 4.362 4.340 0.000 0.000 0.237 93 R C 2.270 178.590 176.300 0.033 0.000 1.137 93 R CA 1.394 57.505 56.100 0.019 0.000 0.951 93 R CB -1.022 29.288 30.300 0.017 0.000 0.851 93 R HN 0.391 nan 8.270 nan 0.000 0.434 94 L N -0.094 121.146 121.223 0.029 0.000 2.079 94 L HA -0.169 4.171 4.340 0.000 0.000 0.210 94 L C 2.529 179.407 176.870 0.012 0.000 1.081 94 L CA 1.450 56.312 54.840 0.038 0.000 0.752 94 L CB -0.644 41.423 42.059 0.012 0.000 0.896 94 L HN 0.393 nan 8.230 nan 0.000 0.433 95 A N -0.023 122.795 122.820 -0.003 0.000 1.930 95 A HA -0.185 4.135 4.320 0.000 0.000 0.217 95 A C 2.040 179.625 177.584 0.002 0.000 1.175 95 A CA 1.724 53.752 52.037 -0.014 0.000 0.627 95 A CB -0.465 18.525 19.000 -0.017 0.000 0.815 95 A HN 0.425 nan 8.150 nan 0.000 0.443 96 N N 0.221 118.931 118.700 0.017 0.000 2.270 96 N HA -0.076 4.664 4.740 0.000 0.000 0.181 96 N C 1.603 177.143 175.510 0.049 0.000 1.016 96 N CA 1.668 54.733 53.050 0.026 0.000 0.870 96 N CB -0.316 38.185 38.487 0.022 0.000 0.979 96 N HN 0.804 nan 8.380 nan 0.000 0.431 97 I N -1.642 118.979 120.570 0.085 0.000 3.968 97 I HA 0.155 4.325 4.170 0.000 0.000 0.328 97 I C 0.258 176.516 176.117 0.236 0.000 1.290 97 I CA -0.051 61.335 61.300 0.143 0.000 1.163 97 I CB -0.162 37.934 38.000 0.160 0.000 1.024 97 I HN -0.169 nan 8.210 nan 0.000 0.413 98 T N -0.034 114.601 114.554 0.135 0.000 2.902 98 T HA 0.532 4.882 4.350 0.000 0.000 0.280 98 T C -2.402 172.308 174.700 0.017 0.000 0.992 98 T CA -1.621 60.492 62.100 0.021 0.000 1.015 98 T CB 0.856 69.599 68.868 -0.209 0.000 1.044 98 T HN -0.065 nan 8.240 nan 0.000 0.520 99 P HA 0.281 nan 4.420 nan 0.000 0.271 99 P C -2.587 174.702 177.300 -0.019 0.000 1.244 99 P CA -1.348 61.754 63.100 0.003 0.000 0.793 99 P CB -0.975 30.725 31.700 0.001 0.000 0.984 100 P HA 0.166 nan 4.420 nan 0.000 0.268 100 P C 0.821 178.105 177.300 -0.027 0.000 1.204 100 P CA 1.059 64.150 63.100 -0.016 0.000 0.768 100 P CB 0.075 31.770 31.700 -0.009 0.000 0.842 101 G N 2.028 110.809 108.800 -0.033 0.000 2.211 101 G HA2 -0.158 3.802 3.960 0.000 0.000 0.201 101 G HA3 -0.158 3.802 3.960 0.000 0.000 0.201 101 G C -0.335 174.533 174.900 -0.053 0.000 0.997 101 G CA -0.528 44.548 45.100 -0.039 0.000 0.652 101 G HN 0.454 nan 8.290 nan 0.000 0.500 102 L N 1.494 122.680 121.223 -0.061 0.000 2.342 102 L HA 0.534 4.874 4.340 0.000 0.000 0.276 102 L C -0.119 176.710 176.870 -0.067 0.000 0.997 102 L CA -0.788 54.003 54.840 -0.081 0.000 0.838 102 L CB 1.482 43.469 42.059 -0.120 0.000 1.224 102 L HN 0.026 nan 8.230 nan 0.000 0.416 103 D N 1.522 121.885 120.400 -0.062 0.000 2.461 103 D HA 0.158 4.799 4.640 0.000 0.000 0.266 103 D C 0.442 176.713 176.300 -0.049 0.000 1.085 103 D CA 0.278 54.249 54.000 -0.049 0.000 0.887 103 D CB 1.065 41.840 40.800 -0.043 0.000 1.309 103 D HN 0.383 nan 8.370 nan 0.000 0.498 104 R N 0.697 121.162 120.500 -0.058 0.000 2.599 104 R HA 0.750 5.090 4.340 0.000 0.000 0.295 104 R C -0.823 175.440 176.300 -0.062 0.000 0.963 104 R CA -0.536 55.531 56.100 -0.056 0.000 0.883 104 R CB 2.632 32.897 30.300 -0.058 0.000 1.171 104 R HN -0.070 nan 8.270 nan 0.000 0.450 105 A N 2.580 125.370 122.820 -0.050 0.000 2.356 105 A HA 0.691 5.011 4.320 0.000 0.000 0.323 105 A C -1.526 176.038 177.584 -0.034 0.000 1.119 105 A CA -0.657 51.351 52.037 -0.048 0.000 0.790 105 A CB 1.447 20.422 19.000 -0.041 0.000 1.273 105 A HN 0.512 nan 8.150 nan 0.000 0.452 106 L N 1.934 123.136 121.223 -0.036 0.000 2.349 106 L HA 0.617 4.957 4.340 0.000 0.000 0.278 106 L C -1.401 175.456 176.870 -0.022 0.000 0.996 106 L CA -0.228 54.603 54.840 -0.015 0.000 0.825 106 L CB 1.230 43.283 42.059 -0.009 0.000 1.243 106 L HN 0.589 nan 8.230 nan 0.000 0.412 107 L N 6.682 127.899 121.223 -0.010 0.000 2.262 107 L HA 0.499 4.839 4.340 0.000 0.000 0.288 107 L C -0.297 176.580 176.870 0.012 0.000 1.035 107 L CA -0.248 54.588 54.840 -0.007 0.000 0.820 107 L CB 1.044 43.096 42.059 -0.012 0.000 1.204 107 L HN 0.652 nan 8.230 nan 0.000 0.424 108 L N 0.987 122.221 121.223 0.017 0.000 2.535 108 L HA 0.538 4.879 4.340 0.000 0.000 0.259 108 L C 0.926 177.829 176.870 0.054 0.000 1.263 108 L CA -0.345 54.526 54.840 0.051 0.000 1.282 108 L CB 1.427 43.512 42.059 0.042 0.000 1.901 108 L HN 0.448 nan 8.230 nan 0.000 0.572 109 S N -1.872 113.873 115.700 0.074 0.000 2.641 109 S HA 0.111 4.581 4.470 0.000 0.000 0.239 109 S C 0.261 174.887 174.600 0.043 0.000 1.081 109 S CA 0.350 58.581 58.200 0.053 0.000 0.904 109 S CB 0.692 63.933 63.200 0.068 0.000 0.803 109 S HN 0.819 nan 8.310 nan 0.000 0.510 110 T N -1.741 112.850 114.554 0.060 0.000 2.887 110 T HA 0.646 4.996 4.350 0.000 0.000 0.292 110 T C 1.256 175.993 174.700 0.062 0.000 1.087 110 T CA -0.066 62.069 62.100 0.059 0.000 1.009 110 T CB 1.291 70.199 68.868 0.067 0.000 1.203 110 T HN 0.021 nan 8.240 nan 0.000 0.518 111 G N 0.369 109.214 108.800 0.075 0.000 2.446 111 G HA2 0.014 3.974 3.960 0.000 0.000 0.217 111 G HA3 0.014 3.974 3.960 0.000 0.000 0.217 111 G C 1.732 176.682 174.900 0.084 0.000 1.168 111 G CA 0.988 46.141 45.100 0.089 0.000 0.771 111 G HN 1.189 nan 8.290 nan 0.000 0.551 112 A N 0.477 123.351 122.820 0.090 0.000 1.908 112 A HA -0.053 4.267 4.320 0.000 0.000 0.218 112 A C 2.144 179.764 177.584 0.061 0.000 1.181 112 A CA 2.056 54.133 52.037 0.068 0.000 0.627 112 A CB -0.491 18.542 19.000 0.055 0.000 0.818 112 A HN 0.472 nan 8.150 nan 0.000 0.445 113 E N 0.135 120.384 120.200 0.081 0.000 2.058 113 E HA -0.207 4.143 4.350 0.000 0.000 0.194 113 E C 2.377 178.955 176.600 -0.037 0.000 0.997 113 E CA 1.697 58.164 56.400 0.111 0.000 0.801 113 E CB -0.116 29.671 29.700 0.144 0.000 0.746 113 E HN 0.799 nan 8.360 nan 0.000 0.450 114 S N 0.816 116.489 115.700 -0.045 0.000 2.368 114 S HA -0.162 4.308 4.470 0.000 0.000 0.225 114 S C 1.719 176.253 174.600 -0.110 0.000 1.030 114 S CA 1.263 59.400 58.200 -0.105 0.000 0.999 114 S CB -0.400 62.775 63.200 -0.041 0.000 0.844 114 S HN 0.212 nan 8.310 nan 0.000 0.459 115 N N 1.798 120.470 118.700 -0.046 0.000 2.166 115 N HA -0.042 4.698 4.740 0.000 0.000 0.186 115 N C 1.796 177.268 175.510 -0.064 0.000 1.019 115 N CA 1.386 54.402 53.050 -0.056 0.000 0.856 115 N CB -0.438 38.031 38.487 -0.030 0.000 0.993 115 N HN 0.597 nan 8.380 nan 0.000 0.426 116 E N 1.096 121.279 120.200 -0.029 0.000 2.077 116 E HA -0.085 4.265 4.350 0.000 0.000 0.193 116 E C 1.913 178.508 176.600 -0.008 0.000 0.989 116 E CA 0.909 57.337 56.400 0.047 0.000 0.800 116 E CB -0.189 29.636 29.700 0.209 0.000 0.746 116 E HN 0.325 nan 8.360 nan 0.000 0.452 117 A N 1.577 124.170 122.820 -0.379 0.000 1.933 117 A HA -0.076 4.244 4.320 0.000 0.000 0.218 117 A C 2.405 179.913 177.584 -0.127 0.000 1.175 117 A CA 1.888 53.548 52.037 -0.627 0.000 0.628 117 A CB -0.452 17.867 19.000 -1.135 0.000 0.814 117 A HN 0.272 nan 8.150 nan 0.000 0.444 118 A N -0.183 122.556 122.820 -0.135 0.000 1.872 118 A HA 0.006 4.326 4.320 0.000 0.000 0.214 118 A C 2.104 179.668 177.584 -0.033 0.000 1.187 118 A CA 1.367 53.352 52.037 -0.087 0.000 0.614 118 A CB -0.537 18.405 19.000 -0.095 0.000 0.826 118 A HN 0.462 nan 8.150 nan 0.000 0.442 119 I N -0.940 119.617 120.570 -0.021 0.000 2.286 119 I HA -0.233 3.938 4.170 0.000 0.000 0.248 119 I C 2.715 178.872 176.117 0.068 0.000 1.115 119 I CA 1.468 62.771 61.300 0.005 0.000 1.392 119 I CB -0.265 37.729 38.000 -0.010 0.000 1.065 119 I HN 0.366 nan 8.210 nan 0.000 0.418 120 R N 0.929 121.507 120.500 0.131 0.000 2.081 120 R HA -0.209 4.131 4.340 0.000 0.000 0.235 120 R C 2.405 178.864 176.300 0.265 0.000 1.131 120 R CA 1.647 57.877 56.100 0.217 0.000 0.960 120 R CB -0.227 30.264 30.300 0.319 0.000 0.856 120 R HN 0.286 nan 8.270 nan 0.000 0.436 121 M N 0.055 119.808 119.600 0.256 0.000 2.117 121 M HA -0.141 4.339 4.480 0.000 0.000 0.262 121 M C 2.123 178.433 176.300 0.016 0.000 1.065 121 M CA 1.978 57.309 55.300 0.051 0.000 1.114 121 M CB -0.108 32.307 32.600 -0.308 0.000 1.361 121 M HN 0.303 nan 8.290 nan 0.000 0.408 122 A N 0.637 123.464 122.820 0.013 0.000 1.877 122 A HA -0.207 4.113 4.320 0.000 0.000 0.216 122 A C 2.051 179.657 177.584 0.037 0.000 1.186 122 A CA 1.994 54.036 52.037 0.008 0.000 0.620 122 A CB -0.614 18.388 19.000 0.003 0.000 0.822 122 A HN 0.565 nan 8.150 nan 0.000 0.443 123 K N -0.990 119.450 120.400 0.067 0.000 2.057 123 K HA -0.129 4.192 4.320 0.000 0.000 0.207 123 K C 1.961 178.614 176.600 0.089 0.000 1.049 123 K CA 1.439 57.778 56.287 0.087 0.000 0.931 123 K CB -0.386 32.180 32.500 0.111 0.000 0.714 123 K HN 0.398 nan 8.250 nan 0.000 0.440 124 L N 0.781 122.068 121.223 0.107 0.000 1.994 124 L HA -0.128 4.212 4.340 0.000 0.000 0.208 124 L C 2.111 179.023 176.870 0.070 0.000 1.071 124 L CA 1.400 56.304 54.840 0.108 0.000 0.745 124 L CB -0.493 41.673 42.059 0.178 0.000 0.892 124 L HN -0.071 nan 8.230 nan 0.000 0.431 125 V N -0.536 119.407 119.914 0.048 0.000 2.626 125 V HA -0.218 3.902 4.120 0.000 0.000 0.252 125 V C 2.359 178.465 176.094 0.020 0.000 1.067 125 V CA 2.072 64.385 62.300 0.022 0.000 1.081 125 V CB -0.544 31.274 31.823 -0.009 0.000 0.686 125 V HN 0.854 nan 8.190 nan 0.000 0.468 126 T N -4.044 110.526 114.554 0.026 0.000 3.037 126 T HA 0.275 4.625 4.350 0.000 0.000 0.251 126 T C 1.578 176.296 174.700 0.030 0.000 1.079 126 T CA 0.822 62.935 62.100 0.021 0.000 1.067 126 T CB 0.584 69.461 68.868 0.015 0.000 0.948 126 T HN 1.040 nan 8.240 nan 0.000 0.496 127 G N 1.284 110.113 108.800 0.047 0.000 2.155 127 G HA2 -0.260 3.700 3.960 0.000 0.000 0.257 127 G HA3 -0.260 3.700 3.960 0.000 0.000 0.257 127 G C -0.027 174.921 174.900 0.079 0.000 0.983 127 G CA 0.652 45.788 45.100 0.059 0.000 0.676 127 G HN 0.695 nan 8.290 nan 0.000 0.528 128 K N -1.925 118.517 120.400 0.069 0.000 2.279 128 K HA 0.749 5.069 4.320 0.000 0.000 0.238 128 K C 0.452 177.118 176.600 0.110 0.000 1.084 128 K CA -0.496 55.822 56.287 0.052 0.000 0.885 128 K CB 0.936 33.411 32.500 -0.042 0.000 1.319 128 K HN 0.410 nan 8.250 nan 0.000 0.494 129 Y N -2.170 118.151 120.300 0.035 0.000 2.648 129 Y HA 0.409 4.959 4.550 0.000 0.000 0.270 129 Y C -0.605 175.313 175.900 0.029 0.000 1.043 129 Y CA -0.688 57.427 58.100 0.026 0.000 1.238 129 Y CB 0.186 38.655 38.460 0.015 0.000 1.385 129 Y HN 0.338 nan 8.280 nan 0.000 0.569 130 E N 2.847 122.829 120.200 -0.364 0.000 2.316 130 E HA 0.347 4.697 4.350 0.000 0.000 0.275 130 E C -0.643 175.966 176.600 0.015 0.000 1.029 130 E CA -0.307 56.035 56.400 -0.097 0.000 0.871 130 E CB 1.367 31.056 29.700 -0.017 0.000 1.022 130 E HN 0.163 nan 8.360 nan 0.000 0.418 131 I N 3.301 123.894 120.570 0.039 0.000 2.433 131 I HA 0.281 4.451 4.170 0.000 0.000 0.292 131 I C -0.366 175.734 176.117 -0.028 0.000 1.001 131 I CA -0.813 60.482 61.300 -0.009 0.000 1.119 131 I CB 1.457 39.438 38.000 -0.032 0.000 1.289 131 I HN 0.248 nan 8.210 nan 0.000 0.438 132 V N 5.037 124.845 119.914 -0.177 0.000 2.459 132 V HA 0.894 5.014 4.120 0.000 0.000 0.295 132 V C 0.487 176.021 176.094 -0.934 0.000 1.029 132 V CA -0.368 61.693 62.300 -0.400 0.000 0.874 132 V CB 1.673 33.264 31.823 -0.387 0.000 0.985 132 V HN 0.972 nan 8.190 nan 0.000 0.438 133 G N 2.167 110.544 108.800 -0.704 0.000 2.949 133 G HA2 0.736 4.696 3.960 0.000 0.000 0.285 133 G HA3 0.736 4.696 3.960 0.000 0.000 0.285 133 G C -1.461 173.192 174.900 -0.413 0.000 1.395 133 G CA -0.742 43.997 45.100 -0.602 0.000 0.901 133 G HN 0.405 nan 8.290 nan 0.000 0.519 134 F N 0.228 120.216 119.950 0.064 0.000 2.379 134 F HA 0.459 4.986 4.527 0.000 0.000 0.332 134 F C 1.581 177.397 175.800 0.027 0.000 1.096 134 F CA -0.446 57.619 58.000 0.108 0.000 1.105 134 F CB 2.259 41.377 39.000 0.197 0.000 1.189 134 F HN 0.515 nan 8.300 nan 0.000 0.515 135 A N 1.770 124.700 122.820 0.183 0.000 2.216 135 A HA -0.119 4.201 4.320 0.000 0.000 0.214 135 A C 1.179 178.882 177.584 0.199 0.000 1.160 135 A CA 1.113 53.191 52.037 0.068 0.000 0.725 135 A CB -0.431 18.589 19.000 0.033 0.000 0.784 135 A HN 0.792 nan 8.150 nan 0.000 0.472 136 Q N -0.139 119.783 119.800 0.204 0.000 2.135 136 Q HA 0.184 4.525 4.340 0.000 0.000 0.231 136 Q C 0.457 176.553 176.000 0.161 0.000 0.817 136 Q CA 0.376 56.262 55.803 0.139 0.000 1.073 136 Q CB 0.551 29.296 28.738 0.011 0.000 1.176 136 Q HN 0.586 nan 8.270 nan 0.000 0.478 137 S N -0.501 115.348 115.700 0.247 0.000 2.608 137 S HA 0.408 4.878 4.470 0.000 0.000 0.261 137 S C -0.502 174.138 174.600 0.067 0.000 1.314 137 S CA -0.592 57.693 58.200 0.142 0.000 0.992 137 S CB 0.974 64.290 63.200 0.192 0.000 0.935 137 S HN 0.468 nan 8.310 nan 0.000 0.564 138 W N 1.762 122.856 121.300 -0.342 0.000 2.957 138 W HA 0.326 4.986 4.660 0.000 0.000 0.327 138 W C -1.132 175.139 176.519 -0.413 0.000 1.039 138 W CA -0.402 56.784 57.345 -0.264 0.000 1.257 138 W CB 0.764 30.150 29.460 -0.123 0.000 1.238 138 W HN 0.966 nan 8.180 nan 0.000 0.406 139 H N 2.811 121.722 119.070 -0.265 0.000 2.986 139 H HA 0.367 4.923 4.556 0.000 0.000 0.267 139 H C 1.124 176.330 175.328 -0.202 0.000 1.072 139 H CA 0.967 56.944 56.048 -0.118 0.000 1.202 139 H CB 1.834 31.547 29.762 -0.082 0.000 1.535 139 H HN 0.507 nan 8.280 nan 0.000 0.522 140 G N 0.248 108.743 108.800 -0.507 0.000 2.351 140 G HA2 -0.059 3.902 3.960 0.000 0.000 0.353 140 G HA3 -0.059 3.902 3.960 0.000 0.000 0.353 140 G C 0.141 174.808 174.900 -0.388 0.000 1.358 140 G CA -0.446 44.497 45.100 -0.262 0.000 0.995 140 G HN -0.055 nan 8.290 nan 0.000 0.611 141 M N 0.661 120.170 119.600 -0.152 0.000 2.465 141 M HA 0.165 4.645 4.480 0.000 0.000 0.249 141 M C 1.624 177.871 176.300 -0.088 0.000 1.130 141 M CA 1.150 56.372 55.300 -0.130 0.000 1.067 141 M CB -0.472 32.129 32.600 0.001 0.000 1.394 141 M HN 0.861 nan 8.290 nan 0.000 0.483 142 T N -1.728 112.791 114.554 -0.058 0.000 2.904 142 T HA 0.530 4.881 4.350 0.000 0.000 0.290 142 T C 1.516 176.183 174.700 -0.054 0.000 1.018 142 T CA -0.062 62.019 62.100 -0.032 0.000 1.075 142 T CB 1.746 70.620 68.868 0.010 0.000 0.986 142 T HN 0.350 nan 8.240 nan 0.000 0.523 143 G N 1.850 110.625 108.800 -0.043 0.000 2.900 143 G HA2 -0.341 3.619 3.960 0.000 0.000 0.250 143 G HA3 -0.341 3.619 3.960 0.000 0.000 0.250 143 G C 1.713 176.574 174.900 -0.065 0.000 1.141 143 G CA 1.923 46.993 45.100 -0.051 0.000 0.756 143 G HN 1.373 nan 8.290 nan 0.000 0.767 144 A N 0.423 123.221 122.820 -0.037 0.000 1.902 144 A HA 0.279 4.599 4.320 0.000 0.000 0.217 144 A C 2.912 180.454 177.584 -0.071 0.000 1.181 144 A CA 2.756 54.768 52.037 -0.042 0.000 0.623 144 A CB -0.930 18.067 19.000 -0.004 0.000 0.818 144 A HN 1.399 nan 8.150 nan 0.000 0.443 145 A N -0.164 122.619 122.820 -0.061 0.000 1.908 145 A HA 0.134 4.454 4.320 0.000 0.000 0.218 145 A C 2.471 179.965 177.584 -0.150 0.000 1.181 145 A CA 2.147 54.139 52.037 -0.075 0.000 0.627 145 A CB -0.931 18.042 19.000 -0.046 0.000 0.818 145 A HN 1.062 nan 8.150 nan 0.000 0.445 146 A N -0.915 121.793 122.820 -0.186 0.000 1.968 146 A HA 0.006 4.326 4.320 0.000 0.000 0.217 146 A C 2.374 179.781 177.584 -0.295 0.000 1.169 146 A CA 1.769 53.643 52.037 -0.273 0.000 0.638 146 A CB -0.712 18.154 19.000 -0.222 0.000 0.812 146 A HN 0.424 nan 8.150 nan 0.000 0.446 147 S N -0.289 115.275 115.700 -0.225 0.000 2.419 147 S HA -0.001 4.469 4.470 0.000 0.000 0.233 147 S C 1.881 176.277 174.600 -0.340 0.000 1.016 147 S CA 1.051 59.102 58.200 -0.247 0.000 0.974 147 S CB -0.224 62.888 63.200 -0.146 0.000 0.786 147 S HN 0.763 nan 8.310 nan 0.000 0.492 148 A N 0.594 123.276 122.820 -0.230 0.000 2.275 148 A HA 0.266 4.587 4.320 0.000 0.000 0.212 148 A C 0.692 178.226 177.584 -0.084 0.000 1.201 148 A CA 0.056 52.042 52.037 -0.085 0.000 0.843 148 A CB 0.062 19.047 19.000 -0.025 0.000 0.873 148 A HN 0.282 nan 8.150 nan 0.000 0.492 149 T N -0.239 114.076 114.554 -0.398 0.000 2.743 149 T HA 0.441 4.791 4.350 0.000 0.000 0.292 149 T C -0.144 174.249 174.700 -0.512 0.000 0.972 149 T CA 0.080 61.967 62.100 -0.355 0.000 0.967 149 T CB 0.323 68.891 68.868 -0.501 0.000 0.926 149 T HN 0.351 nan 8.240 nan 0.000 0.459 150 Y N 0.628 120.924 120.300 -0.007 0.000 2.453 150 Y HA 0.111 4.661 4.550 0.000 0.000 0.247 150 Y C 2.531 178.467 175.900 0.060 0.000 1.124 150 Y CA -0.352 57.764 58.100 0.027 0.000 1.243 150 Y CB 0.293 38.785 38.460 0.054 0.000 1.213 150 Y HN 0.669 nan 8.280 nan 0.000 0.523 151 S N -0.129 115.694 115.700 0.205 0.000 2.481 151 S HA 0.415 4.885 4.470 0.000 0.000 0.231 151 S C 0.874 175.585 174.600 0.185 0.000 0.996 151 S CA 0.502 58.821 58.200 0.197 0.000 0.942 151 S CB -0.035 63.298 63.200 0.222 0.000 0.768 151 S HN 0.274 nan 8.310 nan 0.000 0.520 152 A N -1.279 121.637 122.820 0.160 0.000 2.410 152 A HA 0.624 4.944 4.320 0.000 0.000 0.300 152 A C 0.789 178.395 177.584 0.036 0.000 1.077 152 A CA -0.161 51.960 52.037 0.139 0.000 0.610 152 A CB -0.598 18.552 19.000 0.249 0.000 1.371 152 A HN 1.441 nan 8.150 nan 0.000 0.510 153 G N -0.784 108.045 108.800 0.047 0.000 2.189 153 G HA2 -0.305 3.655 3.960 0.000 0.000 0.267 153 G HA3 -0.305 3.655 3.960 0.000 0.000 0.267 153 G C 0.829 175.693 174.900 -0.059 0.000 0.975 153 G CA 1.225 46.316 45.100 -0.016 0.000 0.644 153 G HN 0.946 nan 8.290 nan 0.000 0.537 154 R N -0.350 120.117 120.500 -0.055 0.000 2.236 154 R HA 0.116 4.456 4.340 0.000 0.000 0.208 154 R C 0.658 176.939 176.300 -0.033 0.000 1.036 154 R CA 0.816 56.876 56.100 -0.068 0.000 1.001 154 R CB 0.008 30.270 30.300 -0.063 0.000 0.896 154 R HN 0.267 nan 8.270 nan 0.000 0.464 155 K N -0.492 119.901 120.400 -0.011 0.000 2.098 155 K HA 0.344 4.665 4.320 0.000 0.000 0.258 155 K C 0.690 177.287 176.600 -0.005 0.000 0.973 155 K CA 0.281 56.566 56.287 -0.003 0.000 0.898 155 K CB 1.313 33.819 32.500 0.009 0.000 1.057 155 K HN 0.116 nan 8.250 nan 0.000 0.447 156 G N -0.019 108.778 108.800 -0.005 0.000 2.168 156 G HA2 -0.257 3.703 3.960 0.000 0.000 0.263 156 G HA3 -0.257 3.703 3.960 0.000 0.000 0.263 156 G C 0.339 175.234 174.900 -0.008 0.000 0.977 156 G CA 0.623 45.721 45.100 -0.004 0.000 0.659 156 G HN 0.764 nan 8.290 nan 0.000 0.533 157 V N -2.857 117.048 119.914 -0.016 0.000 3.070 157 V HA 0.712 4.832 4.120 0.000 0.000 0.345 157 V C 1.087 177.165 176.094 -0.027 0.000 1.403 157 V CA 0.552 62.840 62.300 -0.020 0.000 1.155 157 V CB -0.073 31.736 31.823 -0.023 0.000 1.140 157 V HN 2.276 nan 8.190 nan 0.000 0.505 158 G N 1.216 110.001 108.800 -0.024 0.000 2.757 158 G HA2 -0.056 3.904 3.960 0.000 0.000 0.638 158 G HA3 -0.056 3.904 3.960 0.000 0.000 0.638 158 G C -2.296 172.583 174.900 -0.035 0.000 1.344 158 G CA -0.403 44.681 45.100 -0.027 0.000 0.855 158 G HN 0.603 nan 8.290 nan 0.000 0.537 159 P HA 0.552 nan 4.420 nan 0.000 0.270 159 P C 0.495 177.760 177.300 -0.057 0.000 1.223 159 P CA 0.456 63.530 63.100 -0.042 0.000 0.785 159 P CB 0.467 32.143 31.700 -0.041 0.000 0.923 160 A N 1.172 123.952 122.820 -0.067 0.000 2.240 160 A HA 0.636 4.956 4.320 0.000 0.000 0.292 160 A C 0.156 177.691 177.584 -0.082 0.000 1.121 160 A CA -0.211 51.773 52.037 -0.088 0.000 0.851 160 A CB -0.287 18.649 19.000 -0.107 0.000 1.167 160 A HN 0.633 nan 8.150 nan 0.000 0.503 161 A N -0.400 122.369 122.820 -0.086 0.000 2.531 161 A HA 0.443 4.763 4.320 0.000 0.000 0.236 161 A C 0.359 177.899 177.584 -0.072 0.000 1.062 161 A CA -0.170 51.825 52.037 -0.071 0.000 0.760 161 A CB -0.474 18.492 19.000 -0.056 0.000 0.995 161 A HN 1.093 nan 8.150 nan 0.000 0.501 162 V N 1.982 121.856 119.914 -0.066 0.000 2.673 162 V HA 0.389 4.509 4.120 0.000 0.000 0.303 162 V C 1.553 177.666 176.094 0.032 0.000 1.046 162 V CA 1.619 63.886 62.300 -0.054 0.000 1.126 162 V CB 0.284 32.039 31.823 -0.113 0.000 0.934 162 V HN 2.041 nan 8.190 nan 0.000 0.487 163 G N 3.684 112.471 108.800 -0.021 0.000 2.149 163 G HA2 -0.211 3.749 3.960 0.000 0.000 0.235 163 G HA3 -0.211 3.749 3.960 0.000 0.000 0.235 163 G C 0.136 174.818 174.900 -0.364 0.000 1.018 163 G CA 0.081 45.130 45.100 -0.085 0.000 0.728 163 G HN 0.774 nan 8.290 nan 0.000 0.508 164 S N -0.421 115.007 115.700 -0.455 0.000 2.499 164 S HA 0.833 5.303 4.470 0.000 0.000 0.279 164 S C -0.343 173.879 174.600 -0.630 0.000 1.219 164 S CA -0.184 57.819 58.200 -0.328 0.000 1.062 164 S CB 1.060 64.193 63.200 -0.112 0.000 0.978 164 S HN 0.360 nan 8.310 nan 0.000 0.489 165 F N 0.605 120.563 119.950 0.013 0.000 2.613 165 F HA 0.742 5.270 4.527 0.000 0.000 0.314 165 F C 0.138 175.767 175.800 -0.284 0.000 1.075 165 F CA -0.951 56.983 58.000 -0.110 0.000 0.945 165 F CB 1.800 40.702 39.000 -0.165 0.000 1.310 165 F HN 0.629 nan 8.300 nan 0.000 0.467 166 A N 2.000 124.688 122.820 -0.219 0.000 2.454 166 A HA 0.940 5.261 4.320 0.000 0.000 0.302 166 A C -1.182 176.284 177.584 -0.196 0.000 1.079 166 A CA -0.705 51.039 52.037 -0.487 0.000 0.731 166 A CB 1.507 19.861 19.000 -1.077 0.000 1.299 166 A HN 0.781 nan 8.150 nan 0.000 0.413 167 I N -1.513 119.017 120.570 -0.066 0.000 3.002 167 I HA 0.771 4.942 4.170 0.000 0.000 0.310 167 I C -2.908 173.346 176.117 0.228 0.000 1.087 167 I CA -3.056 58.294 61.300 0.084 0.000 1.017 167 I CB 2.321 40.409 38.000 0.146 0.000 1.226 167 I HN 0.247 nan 8.210 nan 0.000 0.443 168 P HA 0.266 nan 4.420 nan 0.000 0.275 168 P C -0.760 176.715 177.300 0.293 0.000 1.227 168 P CA -0.165 63.075 63.100 0.234 0.000 0.781 168 P CB 0.956 32.780 31.700 0.208 0.000 0.906 169 A N 4.902 127.792 122.820 0.116 0.000 2.340 169 A HA 0.515 4.835 4.320 0.000 0.000 0.268 169 A C -2.106 175.401 177.584 -0.128 0.000 1.100 169 A CA -1.568 50.304 52.037 -0.275 0.000 0.803 169 A CB -0.659 17.964 19.000 -0.628 0.000 1.043 169 A HN 0.420 nan 8.150 nan 0.000 0.488 170 P HA 0.155 nan 4.420 nan 0.000 0.276 170 P C -1.273 176.058 177.300 0.051 0.000 1.264 170 P CA 0.307 63.359 63.100 -0.080 0.000 0.769 170 P CB 0.180 31.553 31.700 -0.545 0.000 0.840 171 F N 4.695 124.667 119.950 0.037 0.000 2.434 171 F HA 0.187 4.714 4.527 0.000 0.000 0.367 171 F C 1.444 177.219 175.800 -0.042 0.000 1.093 171 F CA -1.140 56.842 58.000 -0.030 0.000 1.085 171 F CB 0.665 39.637 39.000 -0.046 0.000 1.322 171 F HN 0.234 nan 8.300 nan 0.000 0.452 172 T N 2.055 116.744 114.554 0.225 0.000 2.803 172 T HA -0.257 4.093 4.350 0.000 0.000 0.269 172 T C 1.744 176.344 174.700 -0.167 0.000 1.052 172 T CA 1.540 63.684 62.100 0.074 0.000 1.136 172 T CB -0.753 68.238 68.868 0.205 0.000 0.864 172 T HN 0.552 nan 8.240 nan 0.000 0.467 173 Y N 2.854 122.854 120.300 -0.499 0.000 2.181 173 Y HA 0.160 4.710 4.550 0.000 0.000 0.288 173 Y C 1.295 176.762 175.900 -0.723 0.000 1.146 173 Y CA 0.648 58.393 58.100 -0.592 0.000 1.164 173 Y CB -0.010 38.140 38.460 -0.517 0.000 0.982 173 Y HN 0.181 nan 8.280 nan 0.000 0.515 174 R N 1.058 120.865 120.500 -1.156 0.000 2.651 174 R HA 0.264 4.604 4.340 0.000 0.000 0.282 174 R C -2.719 173.218 176.300 -0.604 0.000 1.565 174 R CA -1.965 53.652 56.100 -0.805 0.000 1.661 174 R CB 0.599 30.498 30.300 -0.668 0.000 1.189 174 R HN 0.080 nan 8.270 nan 0.000 0.621 175 P HA 0.095 nan 4.420 nan 0.000 0.271 175 P C -0.200 176.861 177.300 -0.398 0.000 1.216 175 P CA -0.198 62.385 63.100 -0.862 0.000 0.776 175 P CB 1.073 32.215 31.700 -0.929 0.000 0.881 176 R N 0.629 121.025 120.500 -0.174 0.000 2.539 176 R HA 0.287 4.627 4.340 0.000 0.000 0.342 176 R C -0.589 175.818 176.300 0.178 0.000 0.941 176 R CA -0.162 55.954 56.100 0.026 0.000 1.146 176 R CB 0.413 30.747 30.300 0.057 0.000 1.541 176 R HN 0.364 nan 8.270 nan 0.000 0.525 177 F N 2.551 122.622 119.950 0.200 0.000 2.496 177 F HA 0.266 4.793 4.527 0.000 0.000 0.341 177 F C -0.509 175.399 175.800 0.180 0.000 1.134 177 F CA -0.791 57.303 58.000 0.157 0.000 0.968 177 F CB 1.082 40.181 39.000 0.165 0.000 1.205 177 F HN -0.043 nan 8.300 nan 0.000 0.436 178 E N 4.945 125.036 120.200 -0.182 0.000 2.263 178 E HA 0.715 5.066 4.350 0.000 0.000 0.264 178 E C -1.289 175.226 176.600 -0.142 0.000 0.923 178 E CA -1.182 55.187 56.400 -0.052 0.000 0.802 178 E CB 2.045 31.737 29.700 -0.014 0.000 1.228 178 E HN 0.519 nan 8.360 nan 0.000 0.417 179 R N 1.873 122.355 120.500 -0.030 0.000 2.569 179 R HA 0.311 4.652 4.340 0.000 0.000 0.293 179 R C -1.046 175.243 176.300 -0.018 0.000 1.186 179 R CA -0.674 55.408 56.100 -0.030 0.000 0.956 179 R CB 0.991 31.302 30.300 0.018 0.000 1.196 179 R HN 0.865 nan 8.270 nan 0.000 0.444 180 N N 1.482 120.165 118.700 -0.028 0.000 2.726 180 N HA -0.186 4.554 4.740 0.000 0.000 0.253 180 N C 0.363 175.866 175.510 -0.012 0.000 1.059 180 N CA 0.587 53.626 53.050 -0.019 0.000 0.701 180 N CB -0.556 37.923 38.487 -0.014 0.000 0.899 180 N HN 1.107 nan 8.380 nan 0.000 0.548 181 G N -0.812 107.978 108.800 -0.016 0.000 2.356 181 G HA2 -0.042 3.918 3.960 0.000 0.000 0.296 181 G HA3 -0.042 3.918 3.960 0.000 0.000 0.296 181 G C 0.096 175.004 174.900 0.013 0.000 1.022 181 G CA 0.812 45.908 45.100 -0.007 0.000 0.961 181 G HN 1.156 nan 8.290 nan 0.000 0.510 182 A N -0.990 121.847 122.820 0.028 0.000 2.547 182 A HA 0.609 4.929 4.320 0.000 0.000 0.297 182 A C -0.707 176.951 177.584 0.123 0.000 1.056 182 A CA -0.717 51.358 52.037 0.062 0.000 0.688 182 A CB 1.095 20.112 19.000 0.028 0.000 1.282 182 A HN 1.348 nan 8.150 nan 0.000 0.400 183 Y N 2.221 122.537 120.300 0.026 0.000 2.584 183 Y HA 0.379 4.929 4.550 0.000 0.000 0.351 183 Y C -0.259 175.676 175.900 0.058 0.000 1.030 183 Y CA -0.482 57.662 58.100 0.074 0.000 1.332 183 Y CB 0.453 38.977 38.460 0.105 0.000 1.148 183 Y HN 0.591 nan 8.280 nan 0.000 0.528 184 D N 6.048 126.385 120.400 -0.105 0.000 2.499 184 D HA 0.014 4.654 4.640 0.000 0.000 0.225 184 D C 0.515 176.575 176.300 -0.400 0.000 1.124 184 D CA -0.422 53.413 54.000 -0.275 0.000 0.938 184 D CB -0.138 40.626 40.800 -0.059 0.000 1.014 184 D HN 0.634 nan 8.370 nan 0.000 0.517 185 Y N 1.813 121.743 120.300 -0.617 0.000 2.421 185 Y HA -0.034 4.517 4.550 0.000 0.000 0.292 185 Y C 1.252 177.092 175.900 -0.100 0.000 1.136 185 Y CA 0.240 58.046 58.100 -0.490 0.000 1.255 185 Y CB -0.371 37.791 38.460 -0.497 0.000 0.991 185 Y HN 0.222 nan 8.280 nan 0.000 0.552 186 L N 0.893 122.035 121.223 -0.135 0.000 2.131 186 L HA 0.152 4.492 4.340 0.000 0.000 0.206 186 L C 2.593 179.428 176.870 -0.057 0.000 1.087 186 L CA 1.243 56.069 54.840 -0.024 0.000 0.767 186 L CB -1.520 40.474 42.059 -0.109 0.000 0.917 186 L HN 0.397 nan 8.230 nan 0.000 0.441 187 A N -1.041 121.730 122.820 -0.081 0.000 1.968 187 A HA -0.204 4.116 4.320 0.000 0.000 0.217 187 A C 2.295 179.712 177.584 -0.278 0.000 1.169 187 A CA 1.423 53.442 52.037 -0.031 0.000 0.638 187 A CB -0.431 18.655 19.000 0.143 0.000 0.812 187 A HN 0.476 nan 8.150 nan 0.000 0.446 188 E N -0.389 119.518 120.200 -0.488 0.000 2.077 188 E HA -0.213 4.137 4.350 0.000 0.000 0.193 188 E C 1.892 178.323 176.600 -0.281 0.000 0.989 188 E CA 1.408 57.246 56.400 -0.937 0.000 0.800 188 E CB -0.203 29.250 29.700 -0.412 0.000 0.746 188 E HN 0.455 nan 8.360 nan 0.000 0.452 189 L N 1.581 122.794 121.223 -0.015 0.000 2.046 189 L HA -0.187 4.153 4.340 0.000 0.000 0.208 189 L C 1.567 178.504 176.870 0.113 0.000 1.077 189 L CA 2.018 56.935 54.840 0.128 0.000 0.747 189 L CB -0.468 41.645 42.059 0.090 0.000 0.896 189 L HN 0.096 nan 8.230 nan 0.000 0.432 190 D N -1.403 119.017 120.400 0.032 0.000 2.097 190 D HA -0.257 4.384 4.640 0.000 0.000 0.195 190 D C 2.031 178.400 176.300 0.115 0.000 0.989 190 D CA 1.764 55.800 54.000 0.060 0.000 0.827 190 D CB -0.389 40.432 40.800 0.036 0.000 0.966 190 D HN 0.511 nan 8.370 nan 0.000 0.456 191 Y N 1.729 121.984 120.300 -0.074 0.000 2.181 191 Y HA -0.200 4.351 4.550 0.000 0.000 0.288 191 Y C 2.304 178.197 175.900 -0.012 0.000 1.146 191 Y CA 1.808 59.885 58.100 -0.038 0.000 1.164 191 Y CB -0.254 38.127 38.460 -0.132 0.000 0.982 191 Y HN -0.052 nan 8.280 nan 0.000 0.515 192 A N -0.069 122.817 122.820 0.111 0.000 1.865 192 A HA -0.229 4.092 4.320 0.000 0.000 0.217 192 A C 2.113 179.649 177.584 -0.081 0.000 1.191 192 A CA 1.903 53.961 52.037 0.035 0.000 0.623 192 A CB -1.534 17.535 19.000 0.114 0.000 0.826 192 A HN 0.547 nan 8.150 nan 0.000 0.444 193 F N -0.004 119.916 119.950 -0.050 0.000 2.216 193 F HA -0.151 4.376 4.527 0.000 0.000 0.300 193 F C 2.073 177.801 175.800 -0.119 0.000 1.085 193 F CA 1.810 59.764 58.000 -0.077 0.000 1.326 193 F CB -0.295 38.665 39.000 -0.066 0.000 1.027 193 F HN 0.362 nan 8.300 nan 0.000 0.497 194 D N -0.021 120.393 120.400 0.023 0.000 2.123 194 D HA -0.208 4.432 4.640 0.000 0.000 0.196 194 D C 2.134 178.350 176.300 -0.139 0.000 0.992 194 D CA 1.040 55.006 54.000 -0.057 0.000 0.833 194 D CB -0.145 40.598 40.800 -0.095 0.000 0.954 194 D HN 0.161 nan 8.370 nan 0.000 0.455 195 L N 0.199 121.292 121.223 -0.216 0.000 2.093 195 L HA -0.076 4.265 4.340 0.000 0.000 0.208 195 L C 1.910 178.629 176.870 -0.252 0.000 1.085 195 L CA 1.295 55.999 54.840 -0.226 0.000 0.755 195 L CB -0.499 41.411 42.059 -0.248 0.000 0.904 195 L HN 0.130 nan 8.230 nan 0.000 0.435 196 I N 0.045 120.415 120.570 -0.333 0.000 2.163 196 I HA -0.291 3.879 4.170 0.000 0.000 0.243 196 I C 2.193 178.073 176.117 -0.395 0.000 1.085 196 I CA 1.412 62.400 61.300 -0.521 0.000 1.347 196 I CB -1.441 36.167 38.000 -0.653 0.000 1.044 196 I HN 0.312 nan 8.210 nan 0.000 0.408 197 D N 0.583 120.857 120.400 -0.210 0.000 2.158 197 D HA -0.195 4.445 4.640 0.000 0.000 0.197 197 D C 2.374 178.598 176.300 -0.126 0.000 0.995 197 D CA 1.199 55.126 54.000 -0.122 0.000 0.846 197 D CB -0.190 40.589 40.800 -0.035 0.000 0.941 197 D HN 0.276 nan 8.370 nan 0.000 0.456 198 R N 0.019 120.440 120.500 -0.131 0.000 2.148 198 R HA 0.009 4.349 4.340 0.000 0.000 0.223 198 R C 2.343 178.589 176.300 -0.091 0.000 1.088 198 R CA 0.845 56.889 56.100 -0.093 0.000 0.985 198 R CB 0.044 30.295 30.300 -0.081 0.000 0.880 198 R HN 0.303 nan 8.270 nan 0.000 0.451 199 Q N -0.299 119.408 119.800 -0.154 0.000 2.163 199 Q HA 0.068 4.408 4.340 0.000 0.000 0.198 199 Q C 0.703 176.668 176.000 -0.058 0.000 0.954 199 Q CA 0.276 56.020 55.803 -0.097 0.000 0.851 199 Q CB 0.185 28.853 28.738 -0.117 0.000 0.928 199 Q HN 0.096 nan 8.270 nan 0.000 0.459 200 S N 0.786 116.364 115.700 -0.204 0.000 2.554 200 S HA -0.070 4.400 4.470 0.000 0.000 0.290 200 S C 1.007 175.611 174.600 0.007 0.000 1.309 200 S CA 0.239 58.383 58.200 -0.092 0.000 1.047 200 S CB 0.597 63.698 63.200 -0.165 0.000 0.828 200 S HN 0.402 nan 8.310 nan 0.000 0.509 201 S N 2.926 118.655 115.700 0.049 0.000 2.634 201 S HA 0.357 4.827 4.470 0.000 0.000 0.221 201 S C 1.277 175.882 174.600 0.009 0.000 0.952 201 S CA 0.311 58.543 58.200 0.052 0.000 0.930 201 S CB -0.398 62.870 63.200 0.114 0.000 0.780 201 S HN 2.078 nan 8.310 nan 0.000 0.498 202 G N 1.688 110.471 108.800 -0.028 0.000 2.132 202 G HA2 -0.201 3.759 3.960 0.000 0.000 0.228 202 G HA3 -0.201 3.759 3.960 0.000 0.000 0.228 202 G C 0.015 174.875 174.900 -0.068 0.000 1.000 202 G CA 0.004 45.083 45.100 -0.035 0.000 0.693 202 G HN 0.547 nan 8.290 nan 0.000 0.515 203 N N 0.259 118.871 118.700 -0.148 0.000 2.553 203 N HA 0.218 4.958 4.740 0.000 0.000 0.298 203 N C 0.349 175.703 175.510 -0.259 0.000 1.596 203 N CA -0.223 52.672 53.050 -0.258 0.000 0.910 203 N CB 0.546 38.675 38.487 -0.597 0.000 1.336 203 N HN 0.366 nan 8.380 nan 0.000 0.497 204 L N 1.070 122.220 121.223 -0.122 0.000 2.433 204 L HA 0.171 4.511 4.340 0.000 0.000 0.275 204 L C 1.426 178.274 176.870 -0.035 0.000 1.128 204 L CA -0.099 54.706 54.840 -0.058 0.000 0.875 204 L CB 0.877 42.934 42.059 -0.003 0.000 1.171 204 L HN 0.177 nan 8.230 nan 0.000 0.463 205 A N 3.456 126.260 122.820 -0.027 0.000 1.963 205 A HA 0.688 5.008 4.320 0.000 0.000 0.207 205 A C 0.746 178.344 177.584 0.023 0.000 1.243 205 A CA 0.830 52.866 52.037 -0.001 0.000 0.728 205 A CB 0.304 19.307 19.000 0.005 0.000 0.895 205 A HN 0.715 nan 8.150 nan 0.000 0.467 206 A N -1.753 121.088 122.820 0.034 0.000 2.601 206 A HA 0.613 4.933 4.320 0.000 0.000 0.291 206 A C -1.707 175.922 177.584 0.075 0.000 1.075 206 A CA -0.400 51.670 52.037 0.056 0.000 0.671 206 A CB 0.407 19.418 19.000 0.019 0.000 1.277 206 A HN 0.656 nan 8.150 nan 0.000 0.417 207 F N 0.886 120.829 119.950 -0.011 0.000 2.482 207 F HA 0.751 5.278 4.527 0.000 0.000 0.331 207 F C -0.491 175.264 175.800 -0.074 0.000 1.115 207 F CA -0.707 57.274 58.000 -0.033 0.000 0.955 207 F CB 1.297 40.295 39.000 -0.002 0.000 1.136 207 F HN 0.608 nan 8.300 nan 0.000 0.452 208 I N 5.535 125.974 120.570 -0.217 0.000 2.433 208 I HA 0.821 4.991 4.170 0.000 0.000 0.292 208 I C -1.388 174.761 176.117 0.053 0.000 1.001 208 I CA -0.300 60.942 61.300 -0.097 0.000 1.119 208 I CB 1.218 39.022 38.000 -0.326 0.000 1.289 208 I HN 0.738 nan 8.210 nan 0.000 0.438 209 A N 5.771 128.739 122.820 0.247 0.000 2.572 209 A HA 0.651 4.971 4.320 0.000 0.000 0.295 209 A C -1.387 176.475 177.584 0.462 0.000 1.072 209 A CA -0.661 51.647 52.037 0.451 0.000 0.691 209 A CB 1.442 20.738 19.000 0.493 0.000 1.291 209 A HN 0.721 nan 8.150 nan 0.000 0.404 210 E N 1.570 122.085 120.200 0.525 0.000 2.191 210 E HA 0.388 4.739 4.350 0.000 0.000 0.278 210 E C -1.858 174.911 176.600 0.282 0.000 0.972 210 E CA -1.759 54.847 56.400 0.342 0.000 0.804 210 E CB 1.652 31.503 29.700 0.252 0.000 1.110 210 E HN 0.370 nan 8.360 nan 0.000 0.394 211 P HA -0.067 nan 4.420 nan 0.000 0.217 211 P C -0.141 177.206 177.300 0.078 0.000 1.150 211 P CA 1.186 64.373 63.100 0.146 0.000 0.832 211 P CB 0.422 32.193 31.700 0.119 0.000 0.787 212 I N -0.690 119.915 120.570 0.059 0.000 2.468 212 I HA 0.159 4.330 4.170 0.000 0.000 0.285 212 I C -0.746 175.370 176.117 -0.001 0.000 1.039 212 I CA -1.258 60.040 61.300 -0.003 0.000 1.074 212 I CB 1.986 39.980 38.000 -0.010 0.000 1.228 212 I HN -0.314 nan 8.210 nan 0.000 0.436 213 L N 5.367 126.558 121.223 -0.052 0.000 2.485 213 L HA 0.101 4.441 4.340 0.000 0.000 0.279 213 L C 1.360 178.193 176.870 -0.062 0.000 1.124 213 L CA 0.785 55.600 54.840 -0.042 0.000 0.888 213 L CB 0.869 42.861 42.059 -0.111 0.000 1.217 213 L HN 0.658 nan 8.230 nan 0.000 0.464 214 S N 1.360 117.043 115.700 -0.029 0.000 2.341 214 S HA -0.096 4.374 4.470 0.000 0.000 0.216 214 S C 1.997 176.548 174.600 -0.082 0.000 1.034 214 S CA 1.291 59.458 58.200 -0.055 0.000 0.964 214 S CB 0.138 63.312 63.200 -0.044 0.000 0.882 214 S HN 0.695 nan 8.310 nan 0.000 0.469 215 S N 0.706 116.357 115.700 -0.081 0.000 2.400 215 S HA -0.024 4.446 4.470 0.000 0.000 0.232 215 S C 1.847 176.411 174.600 -0.061 0.000 1.025 215 S CA 1.150 59.280 58.200 -0.117 0.000 0.993 215 S CB -0.827 62.292 63.200 -0.135 0.000 0.808 215 S HN 0.714 nan 8.310 nan 0.000 0.478 216 G N -0.005 108.771 108.800 -0.040 0.000 2.679 216 G HA2 0.315 4.275 3.960 0.000 0.000 0.212 216 G HA3 0.315 4.275 3.960 0.000 0.000 0.212 216 G C 0.798 175.603 174.900 -0.158 0.000 1.137 216 G CA 0.531 45.589 45.100 -0.072 0.000 0.787 216 G HN 0.854 nan 8.290 nan 0.000 0.534 217 G N 0.294 109.002 108.800 -0.153 0.000 2.189 217 G HA2 -0.082 3.879 3.960 0.000 0.000 0.113 217 G HA3 -0.082 3.879 3.960 0.000 0.000 0.113 217 G C 0.334 175.126 174.900 -0.180 0.000 1.038 217 G CA -0.407 44.591 45.100 -0.170 0.000 0.704 217 G HN 0.796 nan 8.290 nan 0.000 0.490 218 I N -0.603 119.881 120.570 -0.143 0.000 7.316 218 I HA -0.213 3.957 4.170 0.000 0.000 0.126 218 I C 0.317 176.340 176.117 -0.158 0.000 1.806 218 I CA 0.838 62.069 61.300 -0.115 0.000 2.125 218 I CB -1.924 36.035 38.000 -0.068 0.000 3.572 218 I HN 0.395 nan 8.210 nan 0.000 0.196 219 I N 2.660 123.098 120.570 -0.220 0.000 2.354 219 I HA 0.282 4.452 4.170 0.000 0.000 0.286 219 I C 0.867 176.873 176.117 -0.185 0.000 1.007 219 I CA -0.237 60.900 61.300 -0.271 0.000 1.167 219 I CB 1.618 39.330 38.000 -0.480 0.000 1.320 219 I HN 0.275 nan 8.210 nan 0.000 0.458 220 E N 6.678 126.808 120.200 -0.118 0.000 2.259 220 E HA 0.358 4.708 4.350 0.000 0.000 0.281 220 E C -0.781 175.725 176.600 -0.156 0.000 1.027 220 E CA -0.707 55.633 56.400 -0.098 0.000 0.838 220 E CB 1.013 30.682 29.700 -0.051 0.000 1.066 220 E HN 0.495 nan 8.360 nan 0.000 0.401 221 L N 7.156 128.279 121.223 -0.166 0.000 2.462 221 L HA 0.202 4.542 4.340 0.000 0.000 0.272 221 L C -1.726 175.025 176.870 -0.199 0.000 1.166 221 L CA -1.587 53.094 54.840 -0.266 0.000 0.880 221 L CB -0.018 41.975 42.059 -0.111 0.000 1.142 221 L HN 0.455 nan 8.230 nan 0.000 0.473 222 P HA 0.096 nan 4.420 nan 0.000 0.274 222 P C -0.851 176.380 177.300 -0.115 0.000 1.256 222 P CA -0.637 62.280 63.100 -0.305 0.000 0.795 222 P CB 0.541 31.820 31.700 -0.702 0.000 1.038 223 D N -0.590 119.832 120.400 0.037 0.000 2.586 223 D HA 0.258 4.898 4.640 0.000 0.000 0.234 223 D C 1.576 178.024 176.300 0.246 0.000 1.132 223 D CA 2.461 56.547 54.000 0.143 0.000 0.860 223 D CB -0.470 40.425 40.800 0.157 0.000 1.159 223 D HN 0.698 nan 8.370 nan 0.000 0.490 224 G N 2.125 111.031 108.800 0.176 0.000 2.234 224 G HA2 -0.439 3.521 3.960 0.000 0.000 0.260 224 G HA3 -0.439 3.521 3.960 0.000 0.000 0.260 224 G C 0.985 175.990 174.900 0.175 0.000 0.987 224 G CA 0.557 45.754 45.100 0.161 0.000 0.625 224 G HN 0.579 nan 8.290 nan 0.000 0.532 225 Y N 0.492 120.854 120.300 0.103 0.000 2.089 225 Y HA 0.042 4.592 4.550 0.000 0.000 0.282 225 Y C 2.943 178.859 175.900 0.026 0.000 1.139 225 Y CA 3.000 61.142 58.100 0.071 0.000 1.123 225 Y CB -0.339 38.102 38.460 -0.033 0.000 0.980 225 Y HN 0.319 nan 8.280 nan 0.000 0.493 226 M N -0.137 119.561 119.600 0.163 0.000 2.149 226 M HA -0.195 4.285 4.480 0.000 0.000 0.261 226 M C 2.196 178.459 176.300 -0.061 0.000 1.064 226 M CA 2.060 57.394 55.300 0.058 0.000 1.102 226 M CB -0.322 32.343 32.600 0.107 0.000 1.369 226 M HN 0.362 nan 8.290 nan 0.000 0.408 227 A N -0.153 122.644 122.820 -0.038 0.000 1.902 227 A HA -0.024 4.296 4.320 0.000 0.000 0.217 227 A C 2.318 179.825 177.584 -0.129 0.000 1.181 227 A CA 1.847 53.847 52.037 -0.063 0.000 0.623 227 A CB -1.323 17.660 19.000 -0.028 0.000 0.818 227 A HN 0.626 nan 8.150 nan 0.000 0.443 228 A N -0.467 122.255 122.820 -0.164 0.000 1.908 228 A HA -0.069 4.251 4.320 0.000 0.000 0.218 228 A C 2.155 179.527 177.584 -0.352 0.000 1.181 228 A CA 1.802 53.695 52.037 -0.239 0.000 0.627 228 A CB -0.654 18.198 19.000 -0.247 0.000 0.818 228 A HN 0.716 nan 8.150 nan 0.000 0.445 229 L N -0.233 120.721 121.223 -0.448 0.000 2.017 229 L HA -0.119 4.221 4.340 0.000 0.000 0.208 229 L C 2.269 178.917 176.870 -0.370 0.000 1.073 229 L CA 2.739 57.283 54.840 -0.493 0.000 0.745 229 L CB -0.543 41.199 42.059 -0.528 0.000 0.894 229 L HN 0.337 nan 8.230 nan 0.000 0.432 230 K N -0.495 119.755 120.400 -0.249 0.000 2.103 230 K HA -0.162 4.158 4.320 0.000 0.000 0.207 230 K C 2.271 178.759 176.600 -0.186 0.000 1.048 230 K CA 1.332 57.514 56.287 -0.176 0.000 0.930 230 K CB -0.238 32.194 32.500 -0.113 0.000 0.716 230 K HN 0.160 nan 8.250 nan 0.000 0.444 231 R N 0.429 120.805 120.500 -0.208 0.000 2.092 231 R HA -0.025 4.316 4.340 0.000 0.000 0.231 231 R C 1.836 177.979 176.300 -0.262 0.000 1.119 231 R CA 1.033 57.015 56.100 -0.197 0.000 0.970 231 R CB -0.128 30.068 30.300 -0.174 0.000 0.864 231 R HN 0.158 nan 8.270 nan 0.000 0.440 232 K N 0.046 120.206 120.400 -0.400 0.000 2.097 232 K HA -0.087 4.234 4.320 0.000 0.000 0.206 232 K C 2.230 178.547 176.600 -0.473 0.000 1.049 232 K CA 1.017 56.929 56.287 -0.624 0.000 0.933 232 K CB -0.569 31.231 32.500 -1.166 0.000 0.717 232 K HN 0.198 nan 8.250 nan 0.000 0.442 233 C N 1.153 120.262 119.300 -0.318 0.000 2.462 233 C HA -0.054 4.406 4.460 0.000 0.000 0.278 233 C C 2.609 177.537 174.990 -0.103 0.000 1.253 233 C CA 0.554 59.493 59.018 -0.132 0.000 1.713 233 C CB -0.653 27.043 27.740 -0.073 0.000 2.049 233 C HN 0.545 nan 8.230 nan 0.000 0.477 234 E N 0.946 121.075 120.200 -0.118 0.000 2.058 234 E HA -0.213 4.137 4.350 0.000 0.000 0.194 234 E C 2.265 178.814 176.600 -0.085 0.000 0.997 234 E CA 1.478 57.825 56.400 -0.088 0.000 0.801 234 E CB -0.291 29.355 29.700 -0.089 0.000 0.746 234 E HN 0.661 nan 8.360 nan 0.000 0.450 235 A N 0.795 123.545 122.820 -0.116 0.000 2.125 235 A HA -0.132 4.188 4.320 0.000 0.000 0.219 235 A C 1.862 179.400 177.584 -0.076 0.000 1.156 235 A CA 1.095 53.071 52.037 -0.101 0.000 0.671 235 A CB -0.162 18.759 19.000 -0.132 0.000 0.794 235 A HN 0.058 nan 8.150 nan 0.000 0.459 236 R N -1.935 118.523 120.500 -0.070 0.000 2.397 236 R HA 0.271 4.611 4.340 0.000 0.000 0.241 236 R C 1.061 177.352 176.300 -0.015 0.000 0.914 236 R CA 0.504 56.587 56.100 -0.029 0.000 1.071 236 R CB 0.277 30.582 30.300 0.009 0.000 1.116 236 R HN 0.591 nan 8.270 nan 0.000 0.524 237 G N 1.539 110.324 108.800 -0.024 0.000 2.160 237 G HA2 -0.306 3.654 3.960 0.000 0.000 0.251 237 G HA3 -0.306 3.654 3.960 0.000 0.000 0.251 237 G C 0.067 174.965 174.900 -0.005 0.000 1.008 237 G CA 0.192 45.282 45.100 -0.016 0.000 0.724 237 G HN 0.168 nan 8.290 nan 0.000 0.514 238 M N 0.113 119.716 119.600 0.005 0.000 2.367 238 M HA 0.574 5.054 4.480 0.000 0.000 0.339 238 M C 0.874 177.186 176.300 0.020 0.000 1.177 238 M CA -0.562 54.755 55.300 0.029 0.000 1.068 238 M CB 1.284 33.930 32.600 0.077 0.000 1.602 238 M HN 0.037 nan 8.290 nan 0.000 0.457 239 L N 2.540 123.777 121.223 0.023 0.000 2.399 239 L HA 0.479 4.819 4.340 0.000 0.000 0.266 239 L C -0.604 176.290 176.870 0.040 0.000 1.114 239 L CA -0.920 53.927 54.840 0.012 0.000 0.804 239 L CB 0.765 42.822 42.059 -0.004 0.000 1.146 239 L HN 0.505 nan 8.230 nan 0.000 0.451 240 L N 3.154 124.392 121.223 0.024 0.000 2.287 240 L HA 0.528 4.868 4.340 0.000 0.000 0.287 240 L C -0.596 176.295 176.870 0.035 0.000 1.022 240 L CA 0.108 54.979 54.840 0.053 0.000 0.814 240 L CB 1.044 43.111 42.059 0.014 0.000 1.217 240 L HN 0.329 nan 8.230 nan 0.000 0.420 241 I N 5.836 126.438 120.570 0.053 0.000 2.354 241 I HA 0.307 4.477 4.170 0.000 0.000 0.292 241 I C -0.943 175.201 176.117 0.045 0.000 0.989 241 I CA -0.714 60.594 61.300 0.013 0.000 1.188 241 I CB 1.682 39.665 38.000 -0.029 0.000 1.342 241 I HN 0.421 nan 8.210 nan 0.000 0.457 242 L N 6.277 127.521 121.223 0.036 0.000 2.280 242 L HA 0.362 4.703 4.340 0.000 0.000 0.287 242 L C -0.394 176.522 176.870 0.076 0.000 1.023 242 L CA -0.142 54.746 54.840 0.079 0.000 0.819 242 L CB 1.158 43.256 42.059 0.065 0.000 1.212 242 L HN 0.429 nan 8.230 nan 0.000 0.420 243 D N 3.865 124.348 120.400 0.138 0.000 2.428 243 D HA 0.135 4.775 4.640 0.000 0.000 0.221 243 D C -0.076 176.325 176.300 0.168 0.000 1.123 243 D CA 0.055 54.150 54.000 0.158 0.000 0.869 243 D CB 0.729 41.694 40.800 0.275 0.000 1.032 243 D HN 0.536 nan 8.370 nan 0.000 0.506 244 E N 2.693 122.973 120.200 0.133 0.000 2.499 244 E HA 0.173 4.523 4.350 0.000 0.000 0.207 244 E C 1.187 177.867 176.600 0.134 0.000 1.034 244 E CA -0.372 56.116 56.400 0.146 0.000 1.098 244 E CB 0.749 30.559 29.700 0.183 0.000 1.148 244 E HN 0.561 nan 8.360 nan 0.000 0.447 245 A N 0.885 123.782 122.820 0.129 0.000 1.948 245 A HA -0.264 4.056 4.320 0.000 0.000 0.220 245 A C 2.043 179.676 177.584 0.082 0.000 1.177 245 A CA 1.488 53.591 52.037 0.109 0.000 0.636 245 A CB -0.053 19.025 19.000 0.131 0.000 0.815 245 A HN 0.249 nan 8.150 nan 0.000 0.449 246 Q N -1.896 117.952 119.800 0.079 0.000 2.392 246 Q HA -0.017 4.323 4.340 0.000 0.000 0.219 246 Q C 1.999 178.018 176.000 0.032 0.000 0.895 246 Q CA 1.166 56.994 55.803 0.042 0.000 0.929 246 Q CB 0.235 28.990 28.738 0.027 0.000 1.077 246 Q HN 0.865 nan 8.270 nan 0.000 0.532 247 T N -2.507 112.083 114.554 0.059 0.000 3.051 247 T HA 0.140 4.490 4.350 0.000 0.000 0.255 247 T C 1.086 175.819 174.700 0.055 0.000 1.085 247 T CA 0.298 62.429 62.100 0.052 0.000 1.109 247 T CB 0.037 68.951 68.868 0.077 0.000 0.921 247 T HN 0.120 nan 8.240 nan 0.000 0.488 248 G N 1.065 109.928 108.800 0.106 0.000 2.606 248 G HA2 0.419 4.379 3.960 0.000 0.000 0.252 248 G HA3 0.419 4.379 3.960 0.000 0.000 0.252 248 G C 0.154 175.020 174.900 -0.058 0.000 1.206 248 G CA -0.028 45.152 45.100 0.134 0.000 0.861 248 G HN 0.906 nan 8.290 nan 0.000 0.561 249 V N 0.018 119.753 119.914 -0.297 0.000 6.110 249 V HA -0.195 3.925 4.120 0.000 0.000 0.322 249 V C 1.858 177.816 176.094 -0.228 0.000 0.518 249 V CA 1.466 63.588 62.300 -0.297 0.000 0.655 249 V CB -2.051 29.697 31.823 -0.125 0.000 0.283 249 V HN 2.794 nan 8.190 nan 0.000 0.990 250 G N 0.284 108.923 108.800 -0.269 0.000 2.184 250 G HA2 -0.446 3.514 3.960 0.000 0.000 0.264 250 G HA3 -0.446 3.514 3.960 0.000 0.000 0.264 250 G C 0.862 175.691 174.900 -0.118 0.000 0.975 250 G CA 1.309 46.300 45.100 -0.181 0.000 0.642 250 G HN 1.024 nan 8.290 nan 0.000 0.536 251 R N 0.650 121.090 120.500 -0.100 0.000 2.127 251 R HA -0.076 4.265 4.340 0.000 0.000 0.238 251 R C 2.521 178.781 176.300 -0.066 0.000 1.134 251 R CA 2.423 58.476 56.100 -0.078 0.000 0.975 251 R CB -0.497 29.764 30.300 -0.064 0.000 0.865 251 R HN 0.582 nan 8.270 nan 0.000 0.447 252 T N -3.655 110.866 114.554 -0.054 0.000 3.107 252 T HA 0.308 4.658 4.350 0.000 0.000 0.249 252 T C 1.228 175.905 174.700 -0.039 0.000 1.096 252 T CA 0.235 62.312 62.100 -0.038 0.000 1.012 252 T CB 0.910 69.768 68.868 -0.017 0.000 0.977 252 T HN 0.446 nan 8.240 nan 0.000 0.527 253 G N 1.291 110.059 108.800 -0.053 0.000 2.195 253 G HA2 -0.175 3.785 3.960 0.000 0.000 0.224 253 G HA3 -0.175 3.785 3.960 0.000 0.000 0.224 253 G C 0.223 175.095 174.900 -0.047 0.000 0.990 253 G CA 0.027 45.099 45.100 -0.046 0.000 0.639 253 G HN 1.095 nan 8.290 nan 0.000 0.514 254 T N -2.988 111.533 114.554 -0.056 0.000 2.916 254 T HA 0.657 5.007 4.350 0.000 0.000 0.292 254 T C 1.114 175.732 174.700 -0.138 0.000 1.064 254 T CA 0.073 62.137 62.100 -0.060 0.000 1.011 254 T CB 1.798 70.658 68.868 -0.013 0.000 1.152 254 T HN 0.191 nan 8.240 nan 0.000 0.510 255 M N 0.321 119.800 119.600 -0.202 0.000 2.080 255 M HA 0.267 4.747 4.480 0.000 0.000 0.260 255 M C -0.517 175.296 176.300 -0.813 0.000 1.068 255 M CA 1.115 56.123 55.300 -0.488 0.000 1.109 255 M CB -1.020 31.299 32.600 -0.470 0.000 1.342 255 M HN 0.687 nan 8.290 nan 0.000 0.405 256 F N -1.959 117.991 119.950 -0.001 0.000 2.540 256 F HA 0.531 5.059 4.527 0.000 0.000 0.317 256 F C 1.046 176.852 175.800 0.010 0.000 1.104 256 F CA -0.544 57.459 58.000 0.006 0.000 0.913 256 F CB 0.942 39.946 39.000 0.007 0.000 1.170 256 F HN 0.011 nan 8.300 nan 0.000 0.450 257 A N 0.884 123.816 122.820 0.187 0.000 1.978 257 A HA -0.230 4.090 4.320 0.000 0.000 0.220 257 A C 2.139 179.795 177.584 0.119 0.000 1.170 257 A CA 2.006 54.112 52.037 0.115 0.000 0.636 257 A CB -1.363 17.696 19.000 0.098 0.000 0.810 257 A HN 1.045 nan 8.150 nan 0.000 0.448 258 C N -1.280 118.109 119.300 0.149 0.000 2.422 258 C HA -0.070 4.390 4.460 0.000 0.000 0.286 258 C C 2.370 177.416 174.990 0.094 0.000 1.412 258 C CA 0.973 60.053 59.018 0.105 0.000 1.786 258 C CB -1.772 26.012 27.740 0.073 0.000 1.835 258 C HN 0.647 nan 8.230 nan 0.000 0.533 259 Q N 0.639 120.514 119.800 0.125 0.000 2.167 259 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 259 Q C 2.499 178.537 176.000 0.063 0.000 0.970 259 Q CA 1.486 57.347 55.803 0.097 0.000 0.855 259 Q CB -0.216 28.591 28.738 0.116 0.000 0.911 259 Q HN 0.767 nan 8.270 nan 0.000 0.438 260 R N 1.004 121.539 120.500 0.059 0.000 2.073 260 R HA -0.147 4.193 4.340 0.000 0.000 0.234 260 R C 1.321 177.646 176.300 0.042 0.000 1.134 260 R CA 1.864 57.989 56.100 0.043 0.000 0.952 260 R CB 0.038 30.361 30.300 0.038 0.000 0.850 260 R HN 0.233 nan 8.270 nan 0.000 0.433 261 D N -1.371 119.058 120.400 0.048 0.000 2.323 261 D HA 0.041 4.681 4.640 0.000 0.000 0.209 261 D C 0.695 177.016 176.300 0.035 0.000 0.973 261 D CA 1.124 55.151 54.000 0.045 0.000 0.874 261 D CB 0.358 41.190 40.800 0.053 0.000 0.930 261 D HN 0.561 nan 8.370 nan 0.000 0.521 262 G N 1.277 110.099 108.800 0.035 0.000 2.176 262 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 262 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 262 G C 0.174 175.084 174.900 0.017 0.000 1.024 262 G CA 0.129 45.244 45.100 0.026 0.000 0.755 262 G HN 0.257 nan 8.290 nan 0.000 0.507 263 V N 1.149 121.075 119.914 0.020 0.000 2.357 263 V HA 0.678 4.799 4.120 0.000 0.000 0.284 263 V C 0.667 176.764 176.094 0.004 0.000 1.018 263 V CA 0.071 62.374 62.300 0.006 0.000 0.841 263 V CB 1.630 33.456 31.823 0.006 0.000 0.991 263 V HN 0.690 nan 8.190 nan 0.000 0.437 264 T N 6.051 120.599 114.554 -0.011 0.000 2.767 264 T HA 0.531 4.881 4.350 0.000 0.000 0.288 264 T C -1.861 172.822 174.700 -0.030 0.000 0.963 264 T CA -1.633 60.454 62.100 -0.022 0.000 1.019 264 T CB 1.544 70.394 68.868 -0.031 0.000 0.923 264 T HN 0.537 nan 8.240 nan 0.000 0.468 265 P HA 0.295 nan 4.420 nan 0.000 0.274 265 P C 0.105 177.379 177.300 -0.044 0.000 1.256 265 P CA -0.280 62.802 63.100 -0.030 0.000 0.795 265 P CB 0.912 32.597 31.700 -0.024 0.000 1.038 266 D N -0.219 120.158 120.400 -0.039 0.000 2.162 266 D HA 0.079 4.719 4.640 0.000 0.000 0.203 266 D C 0.687 176.950 176.300 -0.063 0.000 0.967 266 D CA 1.368 55.340 54.000 -0.047 0.000 0.840 266 D CB 0.309 41.086 40.800 -0.038 0.000 0.972 266 D HN 0.352 nan 8.370 nan 0.000 0.482 267 I N 0.919 121.453 120.570 -0.060 0.000 2.569 267 I HA 0.237 4.407 4.170 0.000 0.000 0.290 267 I C -1.142 174.931 176.117 -0.074 0.000 1.088 267 I CA -0.962 60.292 61.300 -0.077 0.000 1.047 267 I CB 2.914 40.866 38.000 -0.080 0.000 1.237 267 I HN -0.218 nan 8.210 nan 0.000 0.421 268 L N 6.106 127.269 121.223 -0.099 0.000 2.322 268 L HA 0.713 5.053 4.340 0.000 0.000 0.281 268 L C -0.087 176.730 176.870 -0.089 0.000 1.014 268 L CA 0.184 54.961 54.840 -0.105 0.000 0.815 268 L CB 1.925 43.864 42.059 -0.199 0.000 1.247 268 L HN 0.732 nan 8.230 nan 0.000 0.421 269 T N 3.326 117.854 114.554 -0.044 0.000 2.829 269 T HA 0.784 5.135 4.350 0.000 0.000 0.280 269 T C -0.551 174.161 174.700 0.020 0.000 0.999 269 T CA -0.644 61.442 62.100 -0.023 0.000 0.983 269 T CB 1.041 69.901 68.868 -0.013 0.000 0.968 269 T HN 0.537 nan 8.240 nan 0.000 0.446 270 L N 2.375 123.613 121.223 0.025 0.000 2.309 270 L HA 0.802 5.142 4.340 0.000 0.000 0.261 270 L C 0.627 177.529 176.870 0.053 0.000 1.021 270 L CA -0.818 54.062 54.840 0.065 0.000 0.823 270 L CB 2.460 44.574 42.059 0.091 0.000 1.366 270 L HN 1.052 nan 8.230 nan 0.000 0.423 271 S N -1.311 114.426 115.700 0.062 0.000 6.462 271 S HA 0.125 4.595 4.470 0.000 0.000 0.096 271 S C 1.015 175.639 174.600 0.039 0.000 1.299 271 S CA -0.541 57.688 58.200 0.048 0.000 1.233 271 S CB 0.059 63.294 63.200 0.059 0.000 1.853 271 S HN 0.425 nan 8.310 nan 0.000 0.591 272 K N 1.460 121.886 120.400 0.043 0.000 1.988 272 K HA -0.245 4.075 4.320 0.000 0.000 0.231 272 K C 2.545 179.150 176.600 0.008 0.000 1.044 272 K CA 2.755 59.059 56.287 0.027 0.000 1.013 272 K CB -1.322 31.195 32.500 0.028 0.000 0.736 272 K HN 0.785 nan 8.250 nan 0.000 0.446 273 T N 0.810 115.367 114.554 0.005 0.000 2.720 273 T HA -0.176 4.174 4.350 0.000 0.000 0.268 273 T C 1.966 176.656 174.700 -0.017 0.000 1.037 273 T CA 1.500 63.591 62.100 -0.016 0.000 1.144 273 T CB -0.394 68.462 68.868 -0.021 0.000 0.864 273 T HN 0.186 nan 8.240 nan 0.000 0.444 274 L N 1.817 123.044 121.223 0.006 0.000 2.189 274 L HA 0.190 4.530 4.340 0.000 0.000 0.214 274 L C 2.415 179.279 176.870 -0.010 0.000 1.097 274 L CA 2.021 56.865 54.840 0.006 0.000 0.764 274 L CB -0.949 41.130 42.059 0.032 0.000 0.900 274 L HN 0.505 nan 8.230 nan 0.000 0.436 275 G N -2.385 106.409 108.800 -0.010 0.000 3.020 275 G HA2 0.295 4.255 3.960 0.000 0.000 0.217 275 G HA3 0.295 4.255 3.960 0.000 0.000 0.217 275 G C 0.829 175.716 174.900 -0.023 0.000 1.144 275 G CA 0.279 45.369 45.100 -0.016 0.000 0.760 275 G HN 0.759 nan 8.290 nan 0.000 0.548 276 A N -0.781 122.020 122.820 -0.031 0.000 2.519 276 A HA 0.249 4.569 4.320 0.000 0.000 0.297 276 A C 1.933 179.500 177.584 -0.028 0.000 1.472 276 A CA 1.741 53.752 52.037 -0.043 0.000 0.739 276 A CB -1.514 17.453 19.000 -0.056 0.000 1.096 276 A HN 2.281 nan 8.150 nan 0.000 0.414 277 G N -2.196 106.593 108.800 -0.019 0.000 2.317 277 G HA2 -0.139 3.821 3.960 0.000 0.000 0.227 277 G HA3 -0.139 3.821 3.960 0.000 0.000 0.227 277 G C 0.292 175.199 174.900 0.012 0.000 1.042 277 G CA 0.353 45.455 45.100 0.003 0.000 0.623 277 G HN 1.711 nan 8.290 nan 0.000 0.509 278 L N 2.383 123.608 121.223 0.003 0.000 2.439 278 L HA 0.555 4.895 4.340 0.000 0.000 0.261 278 L C -1.841 175.023 176.870 -0.010 0.000 1.153 278 L CA -1.325 53.513 54.840 -0.004 0.000 0.808 278 L CB 0.756 42.811 42.059 -0.007 0.000 1.126 278 L HN -0.023 nan 8.230 nan 0.000 0.460 279 P HA 0.331 nan 4.420 nan 0.000 0.274 279 P C -1.134 176.154 177.300 -0.021 0.000 1.470 279 P CA -0.151 62.936 63.100 -0.022 0.000 1.001 279 P CB 0.615 32.287 31.700 -0.047 0.000 1.332 280 L N 2.911 124.131 121.223 -0.005 0.000 2.482 280 L HA 0.861 5.201 4.340 0.000 0.000 0.263 280 L C -1.454 175.423 176.870 0.011 0.000 0.957 280 L CA -0.642 54.198 54.840 -0.001 0.000 0.836 280 L CB 2.034 44.087 42.059 -0.011 0.000 1.324 280 L HN 0.377 nan 8.230 nan 0.000 0.406 281 A N 3.093 125.922 122.820 0.014 0.000 2.583 281 A HA 1.087 5.407 4.320 0.000 0.000 0.289 281 A C -1.485 176.100 177.584 0.002 0.000 1.151 281 A CA -0.093 51.953 52.037 0.016 0.000 0.695 281 A CB 1.547 20.560 19.000 0.023 0.000 1.290 281 A HN 1.884 nan 8.150 nan 0.000 0.419 282 A N -0.535 122.281 122.820 -0.007 0.000 2.601 282 A HA 0.735 5.055 4.320 0.000 0.000 0.291 282 A C -1.164 176.389 177.584 -0.050 0.000 1.075 282 A CA 0.170 52.190 52.037 -0.028 0.000 0.671 282 A CB 0.592 19.581 19.000 -0.019 0.000 1.277 282 A HN 2.240 nan 8.150 nan 0.000 0.417 283 I N -1.238 119.288 120.570 -0.073 0.000 2.608 283 I HA 0.890 5.060 4.170 0.000 0.000 0.295 283 I C -1.391 174.670 176.117 -0.093 0.000 1.049 283 I CA -1.092 60.152 61.300 -0.093 0.000 1.063 283 I CB 2.174 40.102 38.000 -0.120 0.000 1.248 283 I HN 0.320 nan 8.210 nan 0.000 0.424 284 V N 4.382 124.230 119.914 -0.110 0.000 2.531 284 V HA 0.639 4.759 4.120 0.000 0.000 0.301 284 V C -0.025 175.998 176.094 -0.117 0.000 1.034 284 V CA -0.229 62.001 62.300 -0.115 0.000 0.865 284 V CB 1.524 33.261 31.823 -0.143 0.000 0.995 284 V HN 0.969 nan 8.190 nan 0.000 0.424 285 T N 2.006 116.495 114.554 -0.107 0.000 2.831 285 T HA 0.586 4.937 4.350 0.000 0.000 0.287 285 T C -0.032 174.616 174.700 -0.086 0.000 1.070 285 T CA 0.015 62.053 62.100 -0.103 0.000 1.010 285 T CB 1.973 70.770 68.868 -0.119 0.000 1.264 285 T HN 0.977 nan 8.240 nan 0.000 0.532 286 S N 0.917 116.571 115.700 -0.076 0.000 2.617 286 S HA 0.567 5.037 4.470 0.000 0.000 0.269 286 S C 1.695 176.261 174.600 -0.057 0.000 1.292 286 S CA -0.065 58.098 58.200 -0.061 0.000 1.010 286 S CB 0.896 64.065 63.200 -0.052 0.000 0.944 286 S HN 0.979 nan 8.310 nan 0.000 0.536 287 A N 2.519 125.311 122.820 -0.046 0.000 1.917 287 A HA 0.049 4.369 4.320 0.000 0.000 0.219 287 A C 2.408 179.972 177.584 -0.034 0.000 1.182 287 A CA 2.063 54.076 52.037 -0.040 0.000 0.633 287 A CB -1.721 17.259 19.000 -0.032 0.000 0.819 287 A HN 1.406 nan 8.150 nan 0.000 0.448 288 A N -0.198 122.603 122.820 -0.031 0.000 1.877 288 A HA -0.107 4.213 4.320 0.000 0.000 0.216 288 A C 2.147 179.714 177.584 -0.028 0.000 1.186 288 A CA 1.638 53.660 52.037 -0.024 0.000 0.620 288 A CB -0.613 18.373 19.000 -0.024 0.000 0.822 288 A HN 0.501 nan 8.150 nan 0.000 0.443 289 I N -0.725 119.819 120.570 -0.044 0.000 2.252 289 I HA -0.209 3.961 4.170 0.000 0.000 0.245 289 I C 2.644 178.719 176.117 -0.070 0.000 1.102 289 I CA 1.500 62.766 61.300 -0.057 0.000 1.385 289 I CB -0.253 37.702 38.000 -0.074 0.000 1.064 289 I HN 0.404 nan 8.210 nan 0.000 0.414 290 E N 1.090 121.245 120.200 -0.075 0.000 2.077 290 E HA -0.240 4.110 4.350 0.000 0.000 0.193 290 E C 1.968 178.563 176.600 -0.008 0.000 0.989 290 E CA 1.353 57.707 56.400 -0.076 0.000 0.800 290 E CB 0.008 29.665 29.700 -0.072 0.000 0.746 290 E HN 0.439 nan 8.360 nan 0.000 0.452 291 E N 0.358 120.559 120.200 0.002 0.000 2.058 291 E HA -0.223 4.127 4.350 0.000 0.000 0.194 291 E C 2.245 178.894 176.600 0.081 0.000 0.997 291 E CA 1.033 57.462 56.400 0.048 0.000 0.801 291 E CB -0.299 29.415 29.700 0.024 0.000 0.746 291 E HN 0.049 nan 8.360 nan 0.000 0.450 292 R N 1.150 121.671 120.500 0.035 0.000 2.075 292 R HA -0.039 4.301 4.340 0.000 0.000 0.232 292 R C 2.126 178.450 176.300 0.041 0.000 1.126 292 R CA 1.640 57.758 56.100 0.031 0.000 0.963 292 R CB -0.797 29.507 30.300 0.007 0.000 0.858 292 R HN 0.137 nan 8.270 nan 0.000 0.435 293 A N -0.541 122.293 122.820 0.023 0.000 1.940 293 A HA -0.225 4.095 4.320 0.000 0.000 0.219 293 A C 2.095 179.759 177.584 0.133 0.000 1.176 293 A CA 1.968 54.025 52.037 0.033 0.000 0.631 293 A CB -0.927 17.982 19.000 -0.151 0.000 0.814 293 A HN 0.621 nan 8.150 nan 0.000 0.446 294 H N -0.283 118.816 119.070 0.047 0.000 2.293 294 H HA -0.083 4.473 4.556 0.000 0.000 0.300 294 H C 1.976 177.343 175.328 0.064 0.000 1.082 294 H CA 2.090 58.183 56.048 0.075 0.000 1.308 294 H CB -0.268 29.522 29.762 0.046 0.000 1.375 294 H HN 0.584 nan 8.280 nan 0.000 0.495 295 E N -0.741 119.448 120.200 -0.017 0.000 2.171 295 E HA -0.150 4.200 4.350 0.000 0.000 0.197 295 E C 1.347 177.905 176.600 -0.071 0.000 0.997 295 E CA 0.892 57.254 56.400 -0.062 0.000 0.810 295 E CB 0.022 29.728 29.700 0.011 0.000 0.738 295 E HN 0.276 nan 8.360 nan 0.000 0.467 296 L N -0.737 120.473 121.223 -0.022 0.000 2.599 296 L HA 0.123 4.464 4.340 0.000 0.000 0.230 296 L C 1.291 178.164 176.870 0.005 0.000 1.141 296 L CA 1.256 56.098 54.840 0.005 0.000 0.877 296 L CB -0.114 41.970 42.059 0.042 0.000 1.009 296 L HN 0.251 nan 8.230 nan 0.000 0.447 297 G N -1.497 107.283 108.800 -0.033 0.000 2.142 297 G HA2 -0.360 3.600 3.960 0.000 0.000 0.225 297 G HA3 -0.360 3.600 3.960 0.000 0.000 0.225 297 G C 0.228 175.168 174.900 0.067 0.000 1.015 297 G CA 0.013 45.099 45.100 -0.024 0.000 0.716 297 G HN 0.270 nan 8.290 nan 0.000 0.508 298 Y N -0.431 119.876 120.300 0.012 0.000 2.895 298 Y HA 0.328 4.878 4.550 0.000 0.000 0.334 298 Y C 0.319 176.275 175.900 0.092 0.000 1.261 298 Y CA 0.597 58.736 58.100 0.066 0.000 1.560 298 Y CB 0.399 38.915 38.460 0.092 0.000 1.253 298 Y HN 0.586 nan 8.280 nan 0.000 0.582 299 L N 8.090 128.969 121.223 -0.573 0.000 2.409 299 L HA 0.512 4.852 4.340 0.000 0.000 0.272 299 L C -1.927 174.638 176.870 -0.509 0.000 0.980 299 L CA -0.651 53.952 54.840 -0.395 0.000 0.826 299 L CB 1.355 43.289 42.059 -0.209 0.000 1.268 299 L HN 0.647 nan 8.230 nan 0.000 0.407 300 F N 5.470 125.200 119.950 -0.366 0.000 2.883 300 F HA 0.300 4.827 4.527 0.000 0.000 0.383 300 F C -1.754 174.032 175.800 -0.023 0.000 1.342 300 F CA -0.371 57.511 58.000 -0.196 0.000 1.150 300 F CB 0.421 39.323 39.000 -0.164 0.000 2.189 300 F HN 0.481 nan 8.300 nan 0.000 0.593 301 Y N 2.897 123.087 120.300 -0.184 0.000 2.385 301 Y HA 0.505 5.055 4.550 0.000 0.000 0.341 301 Y C 0.428 176.234 175.900 -0.156 0.000 0.965 301 Y CA -0.133 57.895 58.100 -0.121 0.000 1.180 301 Y CB 0.728 39.110 38.460 -0.131 0.000 1.139 301 Y HN 0.419 nan 8.280 nan 0.000 0.502 302 T N -0.433 114.013 114.554 -0.180 0.000 2.883 302 T HA 0.281 4.632 4.350 0.000 0.000 0.284 302 T C 0.916 175.488 174.700 -0.214 0.000 1.041 302 T CA -0.335 61.689 62.100 -0.126 0.000 1.007 302 T CB 1.441 70.296 68.868 -0.021 0.000 1.220 302 T HN 0.433 nan 8.240 nan 0.000 0.552 303 T N 0.408 114.853 114.554 -0.182 0.000 2.777 303 T HA -0.057 4.293 4.350 0.000 0.000 0.266 303 T C 1.141 175.626 174.700 -0.358 0.000 1.040 303 T CA 1.251 63.167 62.100 -0.306 0.000 1.141 303 T CB -0.406 68.158 68.868 -0.507 0.000 0.868 303 T HN 0.690 nan 8.240 nan 0.000 0.444 304 H N -0.266 118.825 119.070 0.034 0.000 2.542 304 H HA 0.416 4.972 4.556 0.000 0.000 0.283 304 H C 0.526 175.846 175.328 -0.012 0.000 1.059 304 H CA -0.399 55.682 56.048 0.055 0.000 1.162 304 H CB -0.301 29.499 29.762 0.064 0.000 1.539 304 H HN 0.156 nan 8.280 nan 0.000 0.543 305 V N 1.877 121.787 119.914 -0.005 0.000 2.673 305 V HA -0.075 4.045 4.120 0.000 0.000 0.303 305 V C 0.462 176.510 176.094 -0.075 0.000 1.046 305 V CA 0.761 63.043 62.300 -0.030 0.000 1.126 305 V CB 0.498 32.269 31.823 -0.087 0.000 0.934 305 V HN 0.685 nan 8.190 nan 0.000 0.487 306 S N 3.041 118.716 115.700 -0.041 0.000 3.561 306 S HA -0.162 4.308 4.470 0.000 0.000 0.318 306 S C -0.111 174.459 174.600 -0.051 0.000 1.181 306 S CA 0.966 59.133 58.200 -0.056 0.000 0.916 306 S CB -1.389 61.756 63.200 -0.091 0.000 0.966 306 S HN 0.977 nan 8.310 nan 0.000 0.550 307 D N 1.395 121.793 120.400 -0.003 0.000 2.304 307 D HA 0.294 4.934 4.640 0.000 0.000 0.250 307 D C -0.736 175.563 176.300 -0.002 0.000 1.107 307 D CA -1.827 52.186 54.000 0.021 0.000 0.885 307 D CB 0.927 41.820 40.800 0.156 0.000 1.192 307 D HN 0.118 nan 8.370 nan 0.000 0.436 308 P HA -0.157 nan 4.420 nan 0.000 0.215 308 P C 1.665 178.898 177.300 -0.111 0.000 1.157 308 P CA 0.407 63.480 63.100 -0.045 0.000 0.863 308 P CB 0.349 32.061 31.700 0.020 0.000 0.787 309 L N 1.197 122.406 121.223 -0.023 0.000 1.971 309 L HA -0.090 4.251 4.340 0.000 0.000 0.215 309 L C -0.770 176.046 176.870 -0.091 0.000 1.072 309 L CA 2.955 57.771 54.840 -0.040 0.000 0.758 309 L CB -2.561 39.535 42.059 0.062 0.000 0.889 309 L HN -0.011 nan 8.230 nan 0.000 0.433 310 P HA -0.132 nan 4.420 nan 0.000 0.215 310 P C 1.596 178.849 177.300 -0.079 0.000 1.153 310 P CA 2.103 65.172 63.100 -0.052 0.000 0.853 310 P CB -0.289 31.392 31.700 -0.031 0.000 0.788 311 A N 0.236 123.001 122.820 -0.093 0.000 1.908 311 A HA -0.140 4.180 4.320 0.000 0.000 0.218 311 A C 2.360 179.847 177.584 -0.163 0.000 1.181 311 A CA 2.243 54.218 52.037 -0.104 0.000 0.627 311 A CB -1.629 17.314 19.000 -0.095 0.000 0.818 311 A HN 0.205 nan 8.150 nan 0.000 0.445 312 A N -0.715 121.931 122.820 -0.291 0.000 1.972 312 A HA 0.030 4.351 4.320 0.000 0.000 0.219 312 A C 2.204 179.658 177.584 -0.218 0.000 1.169 312 A CA 1.710 53.495 52.037 -0.419 0.000 0.635 312 A CB -0.771 17.564 19.000 -1.107 0.000 0.810 312 A HN 0.373 nan 8.150 nan 0.000 0.446 313 V N -0.226 119.600 119.914 -0.147 0.000 2.358 313 V HA -0.155 3.965 4.120 0.000 0.000 0.246 313 V C 2.822 178.879 176.094 -0.061 0.000 1.047 313 V CA 1.895 64.153 62.300 -0.071 0.000 1.035 313 V CB -1.353 30.445 31.823 -0.043 0.000 0.658 313 V HN 0.598 nan 8.190 nan 0.000 0.452 314 G N -0.178 108.585 108.800 -0.063 0.000 2.440 314 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 314 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 314 G C 1.563 176.437 174.900 -0.043 0.000 1.154 314 G CA 1.124 46.197 45.100 -0.045 0.000 0.767 314 G HN 0.397 nan 8.290 nan 0.000 0.552 315 L N 0.794 121.984 121.223 -0.055 0.000 2.012 315 L HA 0.026 4.366 4.340 0.000 0.000 0.210 315 L C 2.746 179.596 176.870 -0.033 0.000 1.073 315 L CA 2.174 56.989 54.840 -0.041 0.000 0.748 315 L CB -0.759 41.268 42.059 -0.052 0.000 0.891 315 L HN 0.235 nan 8.230 nan 0.000 0.431 316 R N -0.836 119.642 120.500 -0.036 0.000 2.081 316 R HA -0.115 4.225 4.340 0.000 0.000 0.235 316 R C 2.070 178.336 176.300 -0.055 0.000 1.131 316 R CA 1.947 58.031 56.100 -0.028 0.000 0.960 316 R CB -0.947 29.348 30.300 -0.009 0.000 0.856 316 R HN 0.306 nan 8.270 nan 0.000 0.436 317 V N 0.882 120.755 119.914 -0.067 0.000 2.332 317 V HA -0.264 3.857 4.120 0.000 0.000 0.248 317 V C 2.346 178.393 176.094 -0.078 0.000 1.055 317 V CA 2.004 64.250 62.300 -0.091 0.000 1.038 317 V CB -0.521 31.256 31.823 -0.077 0.000 0.651 317 V HN 0.313 nan 8.190 nan 0.000 0.450 318 L N -0.351 120.841 121.223 -0.052 0.000 2.046 318 L HA -0.171 4.169 4.340 0.000 0.000 0.208 318 L C 2.425 179.270 176.870 -0.041 0.000 1.077 318 L CA 1.545 56.359 54.840 -0.043 0.000 0.747 318 L CB -0.778 41.271 42.059 -0.018 0.000 0.896 318 L HN 0.339 nan 8.230 nan 0.000 0.432 319 D N -0.282 120.098 120.400 -0.033 0.000 2.092 319 D HA -0.196 4.445 4.640 0.000 0.000 0.193 319 D C 2.186 178.467 176.300 -0.031 0.000 0.994 319 D CA 1.571 55.557 54.000 -0.023 0.000 0.828 319 D CB -0.443 40.351 40.800 -0.010 0.000 0.963 319 D HN 0.197 nan 8.370 nan 0.000 0.450 320 V N 0.472 120.355 119.914 -0.052 0.000 2.343 320 V HA -0.212 3.908 4.120 0.000 0.000 0.247 320 V C 2.275 178.334 176.094 -0.059 0.000 1.051 320 V CA 1.548 63.812 62.300 -0.060 0.000 1.036 320 V CB -0.451 31.295 31.823 -0.128 0.000 0.654 320 V HN 0.045 nan 8.190 nan 0.000 0.451 321 V N 0.250 120.119 119.914 -0.076 0.000 2.332 321 V HA -0.324 3.796 4.120 0.000 0.000 0.248 321 V C 2.650 178.710 176.094 -0.056 0.000 1.055 321 V CA 2.734 64.990 62.300 -0.073 0.000 1.038 321 V CB -0.801 30.966 31.823 -0.092 0.000 0.651 321 V HN 0.651 nan 8.190 nan 0.000 0.450 322 Q N -0.319 119.453 119.800 -0.047 0.000 1.990 322 Q HA -0.219 4.121 4.340 0.000 0.000 0.200 322 Q C 2.445 178.432 176.000 -0.022 0.000 0.980 322 Q CA 1.937 57.719 55.803 -0.035 0.000 0.832 322 Q CB -0.321 28.401 28.738 -0.026 0.000 0.897 322 Q HN 0.714 nan 8.270 nan 0.000 0.427 323 R N 0.952 121.443 120.500 -0.015 0.000 2.083 323 R HA -0.164 4.176 4.340 0.000 0.000 0.237 323 R C 0.785 177.084 176.300 -0.002 0.000 1.137 323 R CA 2.082 58.179 56.100 -0.004 0.000 0.951 323 R CB -0.319 29.983 30.300 0.004 0.000 0.851 323 R HN 0.103 nan 8.270 nan 0.000 0.434 324 D N 0.207 120.606 120.400 -0.002 0.000 2.338 324 D HA 0.109 4.749 4.640 0.000 0.000 0.239 324 D C 0.499 176.795 176.300 -0.006 0.000 1.095 324 D CA 1.054 55.056 54.000 0.004 0.000 0.888 324 D CB 0.190 41.001 40.800 0.018 0.000 0.899 324 D HN 0.615 nan 8.370 nan 0.000 0.525 325 G N 1.354 110.145 108.800 -0.016 0.000 2.366 325 G HA2 -0.314 3.646 3.960 0.000 0.000 0.299 325 G HA3 -0.314 3.646 3.960 0.000 0.000 0.299 325 G C 1.009 175.892 174.900 -0.028 0.000 1.020 325 G CA 0.255 45.342 45.100 -0.022 0.000 1.026 325 G HN 0.429 nan 8.290 nan 0.000 0.512 326 L N -0.912 120.289 121.223 -0.037 0.000 2.201 326 L HA -0.083 4.258 4.340 0.000 0.000 0.212 326 L C 2.854 179.690 176.870 -0.056 0.000 1.105 326 L CA 0.921 55.735 54.840 -0.044 0.000 0.775 326 L CB -0.486 41.542 42.059 -0.051 0.000 0.913 326 L HN 0.334 nan 8.230 nan 0.000 0.440 327 V N 0.386 120.261 119.914 -0.065 0.000 2.295 327 V HA -0.291 3.829 4.120 0.000 0.000 0.246 327 V C 2.811 178.873 176.094 -0.054 0.000 1.049 327 V CA 1.931 64.187 62.300 -0.073 0.000 1.024 327 V CB -0.925 30.846 31.823 -0.087 0.000 0.648 327 V HN 0.487 nan 8.190 nan 0.000 0.447 328 A N 0.135 122.930 122.820 -0.041 0.000 1.898 328 A HA -0.239 4.081 4.320 0.000 0.000 0.216 328 A C 2.346 179.913 177.584 -0.029 0.000 1.181 328 A CA 1.952 53.971 52.037 -0.030 0.000 0.620 328 A CB -0.574 18.413 19.000 -0.022 0.000 0.819 328 A HN 0.472 nan 8.150 nan 0.000 0.442 329 R N -0.073 120.410 120.500 -0.029 0.000 2.119 329 R HA -0.182 4.158 4.340 0.000 0.000 0.246 329 R C 2.158 178.437 176.300 -0.035 0.000 1.146 329 R CA 1.825 57.909 56.100 -0.026 0.000 0.962 329 R CB -0.525 29.760 30.300 -0.025 0.000 0.863 329 R HN 0.449 nan 8.270 nan 0.000 0.442 330 A N 0.521 123.313 122.820 -0.046 0.000 1.978 330 A HA -0.179 4.141 4.320 0.000 0.000 0.220 330 A C 1.757 179.313 177.584 -0.048 0.000 1.170 330 A CA 1.743 53.747 52.037 -0.055 0.000 0.636 330 A CB -0.529 18.432 19.000 -0.064 0.000 0.810 330 A HN 0.443 nan 8.150 nan 0.000 0.448 331 N N -0.121 118.556 118.700 -0.038 0.000 2.250 331 N HA -0.072 4.668 4.740 0.000 0.000 0.181 331 N C 1.753 177.248 175.510 -0.025 0.000 1.017 331 N CA 1.508 54.541 53.050 -0.030 0.000 0.866 331 N CB -0.235 38.238 38.487 -0.024 0.000 0.985 331 N HN 0.295 nan 8.380 nan 0.000 0.429 332 V N 1.902 121.803 119.914 -0.022 0.000 2.323 332 V HA -0.139 3.981 4.120 0.000 0.000 0.244 332 V C 2.435 178.518 176.094 -0.018 0.000 1.041 332 V CA 1.171 63.462 62.300 -0.016 0.000 1.025 332 V CB -0.326 31.490 31.823 -0.011 0.000 0.656 332 V HN 0.233 nan 8.190 nan 0.000 0.451 333 M N 0.516 120.101 119.600 -0.025 0.000 2.229 333 M HA -0.032 4.448 4.480 0.000 0.000 0.264 333 M C 2.318 178.593 176.300 -0.041 0.000 1.063 333 M CA 1.903 57.185 55.300 -0.030 0.000 1.114 333 M CB -1.656 30.921 32.600 -0.038 0.000 1.387 333 M HN 0.459 nan 8.290 nan 0.000 0.420 334 G N 0.121 108.892 108.800 -0.048 0.000 2.422 334 G HA2 -0.252 3.709 3.960 0.000 0.000 0.218 334 G HA3 -0.252 3.709 3.960 0.000 0.000 0.218 334 G C 1.192 176.072 174.900 -0.034 0.000 1.140 334 G CA 1.290 46.358 45.100 -0.053 0.000 0.775 334 G HN 0.495 nan 8.290 nan 0.000 0.545 335 D N -0.068 120.318 120.400 -0.024 0.000 2.097 335 D HA -0.097 4.543 4.640 0.000 0.000 0.197 335 D C 2.380 178.675 176.300 -0.008 0.000 0.984 335 D CA 0.908 54.900 54.000 -0.014 0.000 0.826 335 D CB -0.153 40.642 40.800 -0.009 0.000 0.973 335 D HN 0.237 nan 8.370 nan 0.000 0.460 336 R N -0.043 120.453 120.500 -0.007 0.000 2.083 336 R HA -0.102 4.238 4.340 0.000 0.000 0.237 336 R C 2.479 178.783 176.300 0.007 0.000 1.137 336 R CA 0.993 57.095 56.100 0.003 0.000 0.951 336 R CB -0.520 29.784 30.300 0.007 0.000 0.851 336 R HN 0.310 nan 8.270 nan 0.000 0.434 337 L N 0.739 121.959 121.223 -0.004 0.000 2.017 337 L HA -0.222 4.118 4.340 0.000 0.000 0.208 337 L C 2.759 179.631 176.870 0.002 0.000 1.073 337 L CA 1.643 56.483 54.840 0.001 0.000 0.745 337 L CB -0.442 41.587 42.059 -0.049 0.000 0.894 337 L HN 0.317 nan 8.230 nan 0.000 0.432 338 R N -0.141 120.353 120.500 -0.011 0.000 2.091 338 R HA -0.198 4.142 4.340 0.000 0.000 0.238 338 R C 2.369 178.671 176.300 0.003 0.000 1.136 338 R CA 1.542 57.638 56.100 -0.006 0.000 0.959 338 R CB -0.124 30.169 30.300 -0.012 0.000 0.856 338 R HN 0.382 nan 8.270 nan 0.000 0.437 339 R N -0.727 119.776 120.500 0.004 0.000 2.096 339 R HA -0.081 4.259 4.340 0.000 0.000 0.235 339 R C 2.370 178.677 176.300 0.012 0.000 1.127 339 R CA 1.274 57.377 56.100 0.007 0.000 0.968 339 R CB -0.527 29.776 30.300 0.005 0.000 0.861 339 R HN 0.383 nan 8.270 nan 0.000 0.440 340 G N 1.544 110.355 108.800 0.018 0.000 2.446 340 G HA2 -0.240 3.721 3.960 0.000 0.000 0.217 340 G HA3 -0.240 3.721 3.960 0.000 0.000 0.217 340 G C 1.468 176.387 174.900 0.031 0.000 1.168 340 G CA 0.565 45.681 45.100 0.027 0.000 0.771 340 G HN 0.138 nan 8.290 nan 0.000 0.551 341 L N -0.087 121.155 121.223 0.032 0.000 2.131 341 L HA 0.000 4.340 4.340 0.000 0.000 0.210 341 L C 2.829 179.719 176.870 0.033 0.000 1.092 341 L CA 0.450 55.312 54.840 0.036 0.000 0.759 341 L CB -0.364 41.711 42.059 0.027 0.000 0.903 341 L HN 0.174 nan 8.230 nan 0.000 0.435 342 L N -0.697 120.538 121.223 0.020 0.000 2.141 342 L HA -0.176 4.165 4.340 0.000 0.000 0.209 342 L C 2.111 178.989 176.870 0.013 0.000 1.094 342 L CA 0.814 55.664 54.840 0.015 0.000 0.763 342 L CB -0.549 41.515 42.059 0.008 0.000 0.908 342 L HN 0.246 nan 8.230 nan 0.000 0.437 343 D N 0.118 120.523 120.400 0.009 0.000 2.144 343 D HA -0.119 4.521 4.640 0.000 0.000 0.200 343 D C 2.413 178.704 176.300 -0.014 0.000 0.978 343 D CA 1.058 55.054 54.000 -0.008 0.000 0.833 343 D CB -0.033 40.761 40.800 -0.010 0.000 0.961 343 D HN 0.274 nan 8.370 nan 0.000 0.470 344 L N 0.463 121.704 121.223 0.030 0.000 2.046 344 L HA -0.114 4.226 4.340 0.000 0.000 0.208 344 L C 2.548 179.482 176.870 0.106 0.000 1.077 344 L CA 0.814 55.708 54.840 0.090 0.000 0.747 344 L CB -0.347 41.825 42.059 0.188 0.000 0.896 344 L HN 0.055 nan 8.230 nan 0.000 0.432 345 M N -0.468 119.184 119.600 0.087 0.000 2.358 345 M HA -0.224 4.256 4.480 0.000 0.000 0.264 345 M C 1.923 178.247 176.300 0.040 0.000 1.064 345 M CA 1.650 57.001 55.300 0.084 0.000 1.093 345 M CB -0.011 32.621 32.600 0.054 0.000 1.401 345 M HN 0.189 nan 8.290 nan 0.000 0.440 346 E N -0.170 120.027 120.200 -0.006 0.000 2.076 346 E HA -0.156 4.195 4.350 0.000 0.000 0.190 346 E C 2.017 178.562 176.600 -0.092 0.000 0.979 346 E CA 0.826 57.204 56.400 -0.036 0.000 0.807 346 E CB 0.162 29.835 29.700 -0.044 0.000 0.761 346 E HN 0.431 nan 8.360 nan 0.000 0.454 347 R N -0.447 119.938 120.500 -0.191 0.000 2.066 347 R HA -0.006 4.335 4.340 0.000 0.000 0.232 347 R C 0.093 176.117 176.300 -0.460 0.000 1.131 347 R CA 1.068 56.908 56.100 -0.433 0.000 0.955 347 R CB 0.026 29.873 30.300 -0.755 0.000 0.851 347 R HN -0.015 nan 8.270 nan 0.000 0.432 348 F N -0.154 119.802 119.950 0.009 0.000 2.458 348 F HA 0.211 4.738 4.527 0.000 0.000 0.336 348 F C 1.067 176.879 175.800 0.020 0.000 1.114 348 F CA -0.747 57.261 58.000 0.014 0.000 0.987 348 F CB 1.626 40.634 39.000 0.015 0.000 1.130 348 F HN -0.075 nan 8.300 nan 0.000 0.458 349 D N 1.537 122.069 120.400 0.220 0.000 2.269 349 D HA -0.116 4.524 4.640 0.000 0.000 0.208 349 D C 2.026 178.402 176.300 0.127 0.000 0.963 349 D CA 1.069 55.150 54.000 0.135 0.000 0.864 349 D CB 0.221 41.081 40.800 0.099 0.000 0.936 349 D HN 0.706 nan 8.370 nan 0.000 0.505 350 C N 0.034 119.418 119.300 0.140 0.000 2.472 350 C HA 0.217 4.677 4.460 0.000 0.000 0.278 350 C C 1.314 176.364 174.990 0.100 0.000 1.447 350 C CA -0.687 58.388 59.018 0.094 0.000 1.773 350 C CB -1.453 26.316 27.740 0.049 0.000 1.793 350 C HN 0.021 nan 8.230 nan 0.000 0.544 351 I N 2.380 123.025 120.570 0.124 0.000 2.322 351 I HA 0.332 4.502 4.170 0.000 0.000 0.292 351 I C 1.521 177.690 176.117 0.086 0.000 1.060 351 I CA 0.398 61.761 61.300 0.106 0.000 1.309 351 I CB 0.984 39.056 38.000 0.121 0.000 1.415 351 I HN 0.387 nan 8.210 nan 0.000 0.492 352 G N 4.109 112.952 108.800 0.072 0.000 2.656 352 G HA2 0.014 3.974 3.960 0.000 0.000 0.211 352 G HA3 0.014 3.974 3.960 0.000 0.000 0.211 352 G C -0.022 174.833 174.900 -0.074 0.000 1.137 352 G CA 0.313 45.471 45.100 0.096 0.000 0.802 352 G HN 0.551 nan 8.290 nan 0.000 0.527 353 D N -1.405 118.871 120.400 -0.208 0.000 2.717 353 D HA 0.470 5.111 4.640 0.000 0.000 0.223 353 D C -1.377 174.823 176.300 -0.167 0.000 1.240 353 D CA -0.310 53.482 54.000 -0.347 0.000 0.801 353 D CB 2.411 42.660 40.800 -0.919 0.000 1.556 353 D HN -0.109 nan 8.370 nan 0.000 0.462 354 V N 3.763 123.608 119.914 -0.115 0.000 2.443 354 V HA 0.654 4.774 4.120 0.000 0.000 0.293 354 V C -0.100 175.962 176.094 -0.053 0.000 1.021 354 V CA -0.558 61.710 62.300 -0.054 0.000 0.848 354 V CB 1.360 33.170 31.823 -0.021 0.000 0.998 354 V HN 0.621 nan 8.190 nan 0.000 0.424 355 R N 3.299 123.773 120.500 -0.042 0.000 2.846 355 R HA 0.990 5.330 4.340 0.000 0.000 0.263 355 R C 0.133 176.418 176.300 -0.025 0.000 1.080 355 R CA -0.296 55.787 56.100 -0.029 0.000 0.961 355 R CB 1.923 32.211 30.300 -0.021 0.000 1.231 355 R HN 1.225 nan 8.270 nan 0.000 0.465 356 G N 0.111 108.898 108.800 -0.022 0.000 2.409 356 G HA2 0.018 3.978 3.960 0.000 0.000 0.421 356 G HA3 0.018 3.978 3.960 0.000 0.000 0.421 356 G C -1.522 173.364 174.900 -0.024 0.000 1.259 356 G CA -0.363 44.720 45.100 -0.028 0.000 1.011 356 G HN 0.743 nan 8.290 nan 0.000 0.497 357 R N -0.786 119.697 120.500 -0.029 0.000 2.626 357 R HA 0.595 4.935 4.340 0.000 0.000 0.274 357 R C 1.005 177.283 176.300 -0.036 0.000 1.031 357 R CA 1.052 57.136 56.100 -0.025 0.000 0.898 357 R CB 1.369 31.659 30.300 -0.017 0.000 1.222 357 R HN 2.717 nan 8.270 nan 0.000 0.455 358 G N 2.423 111.201 108.800 -0.036 0.000 2.634 358 G HA2 -0.342 3.619 3.960 0.000 0.000 0.309 358 G HA3 -0.342 3.619 3.960 0.000 0.000 0.309 358 G C 0.088 174.949 174.900 -0.066 0.000 1.265 358 G CA 0.404 45.475 45.100 -0.048 0.000 0.998 358 G HN 0.496 nan 8.290 nan 0.000 0.551 359 L N 0.124 121.299 121.223 -0.080 0.000 2.851 359 L HA 0.474 4.814 4.340 0.000 0.000 0.237 359 L C 0.152 176.954 176.870 -0.113 0.000 1.257 359 L CA -0.186 54.586 54.840 -0.113 0.000 1.061 359 L CB 0.225 42.206 42.059 -0.129 0.000 1.372 359 L HN 0.330 nan 8.230 nan 0.000 0.493 360 L N 1.214 122.387 121.223 -0.083 0.000 2.462 360 L HA 0.499 4.839 4.340 0.000 0.000 0.255 360 L C -1.028 175.807 176.870 -0.058 0.000 1.076 360 L CA -0.168 54.630 54.840 -0.069 0.000 0.920 360 L CB 0.872 42.902 42.059 -0.049 0.000 1.214 360 L HN -0.111 nan 8.230 nan 0.000 0.472 361 L N 2.360 123.545 121.223 -0.063 0.000 2.333 361 L HA 0.935 5.275 4.340 0.000 0.000 0.269 361 L C 0.460 177.319 176.870 -0.019 0.000 1.010 361 L CA -0.584 54.229 54.840 -0.044 0.000 0.818 361 L CB 1.864 43.891 42.059 -0.052 0.000 1.306 361 L HN 0.552 nan 8.230 nan 0.000 0.430 362 G N 0.820 109.615 108.800 -0.008 0.000 2.591 362 G HA2 0.616 4.576 3.960 0.000 0.000 0.306 362 G HA3 0.616 4.576 3.960 0.000 0.000 0.306 362 G C -1.802 173.116 174.900 0.031 0.000 1.334 362 G CA -0.335 44.774 45.100 0.016 0.000 0.981 362 G HN 0.272 nan 8.290 nan 0.000 0.491 363 V N 1.662 121.633 119.914 0.095 0.000 2.380 363 V HA 0.327 4.447 4.120 0.000 0.000 0.286 363 V C -0.103 176.064 176.094 0.122 0.000 1.015 363 V CA -0.740 61.623 62.300 0.105 0.000 0.834 363 V CB 1.357 33.273 31.823 0.154 0.000 1.009 363 V HN 0.877 nan 8.190 nan 0.000 0.428 364 E N 5.220 125.439 120.200 0.031 0.000 2.152 364 E HA 0.340 4.690 4.350 0.000 0.000 0.285 364 E C -0.666 175.978 176.600 0.073 0.000 1.043 364 E CA -0.658 55.766 56.400 0.039 0.000 0.839 364 E CB 0.726 30.433 29.700 0.012 0.000 1.069 364 E HN 0.463 nan 8.360 nan 0.000 0.399 365 I N 5.226 125.843 120.570 0.078 0.000 2.395 365 I HA 0.236 4.406 4.170 0.000 0.000 0.289 365 I C 0.181 176.344 176.117 0.077 0.000 1.023 365 I CA -0.311 61.039 61.300 0.084 0.000 1.350 365 I CB 0.771 38.814 38.000 0.071 0.000 1.409 365 I HN 0.362 nan 8.210 nan 0.000 0.507 366 V N 6.859 126.825 119.914 0.086 0.000 3.102 366 V HA 0.419 4.539 4.120 0.000 0.000 0.312 366 V C 0.766 176.895 176.094 0.060 0.000 1.135 366 V CA -0.535 61.815 62.300 0.083 0.000 1.022 366 V CB 2.595 34.492 31.823 0.124 0.000 1.056 366 V HN 0.697 nan 8.190 nan 0.000 0.436 367 K N 1.623 122.050 120.400 0.045 0.000 2.044 367 K HA 0.171 4.491 4.320 0.000 0.000 0.204 367 K C 0.238 176.861 176.600 0.038 0.000 1.045 367 K CA 1.393 57.700 56.287 0.034 0.000 0.951 367 K CB -0.166 32.347 32.500 0.021 0.000 0.738 367 K HN 0.772 nan 8.250 nan 0.000 0.443 368 D N -0.342 120.079 120.400 0.035 0.000 2.471 368 D HA 0.187 4.827 4.640 0.000 0.000 0.245 368 D C -0.019 176.305 176.300 0.039 0.000 1.116 368 D CA -0.215 53.803 54.000 0.031 0.000 0.853 368 D CB 0.894 41.702 40.800 0.014 0.000 1.123 368 D HN -0.098 nan 8.370 nan 0.000 0.540 369 R N 2.415 122.948 120.500 0.054 0.000 2.425 369 R HA -0.060 4.280 4.340 0.000 0.000 0.206 369 R C 0.316 176.643 176.300 0.044 0.000 1.117 369 R CA 0.960 57.104 56.100 0.072 0.000 1.098 369 R CB 0.102 30.448 30.300 0.075 0.000 0.843 369 R HN 0.350 nan 8.270 nan 0.000 0.480 370 R N -3.712 116.796 120.500 0.013 0.000 2.561 370 R HA 0.146 4.487 4.340 0.000 0.000 0.213 370 R C 1.501 177.776 176.300 -0.041 0.000 0.885 370 R CA 0.511 56.603 56.100 -0.013 0.000 1.002 370 R CB -0.159 30.137 30.300 -0.006 0.000 1.432 370 R HN 0.005 nan 8.270 nan 0.000 0.651 371 T N 1.146 115.681 114.554 -0.031 0.000 3.035 371 T HA 0.128 4.478 4.350 0.000 0.000 0.259 371 T C 0.197 174.856 174.700 -0.068 0.000 1.078 371 T CA 0.123 62.196 62.100 -0.046 0.000 1.132 371 T CB 0.023 68.876 68.868 -0.025 0.000 0.900 371 T HN 0.139 nan 8.240 nan 0.000 0.480 372 K N 1.231 121.604 120.400 -0.045 0.000 3.117 372 K HA -0.140 4.181 4.320 0.000 0.000 0.269 372 K C -0.385 176.198 176.600 -0.028 0.000 1.098 372 K CA 0.252 56.509 56.287 -0.049 0.000 0.785 372 K CB -1.166 31.200 32.500 -0.223 0.000 1.242 372 K HN 0.429 nan 8.250 nan 0.000 0.491 373 E N 1.447 121.643 120.200 -0.006 0.000 2.290 373 E HA 0.127 4.478 4.350 0.000 0.000 0.277 373 E C -2.397 174.216 176.600 0.021 0.000 1.035 373 E CA -2.074 54.326 56.400 -0.000 0.000 0.873 373 E CB 0.817 30.515 29.700 -0.002 0.000 1.029 373 E HN -0.041 nan 8.360 nan 0.000 0.419 374 P HA -0.073 nan 4.420 nan 0.000 0.264 374 P C -1.172 176.140 177.300 0.020 0.000 1.183 374 P CA 0.327 63.445 63.100 0.030 0.000 0.763 374 P CB 0.506 32.219 31.700 0.022 0.000 0.807 375 A N 3.392 126.224 122.820 0.021 0.000 2.621 375 A HA 0.230 4.550 4.320 0.000 0.000 0.329 375 A C 0.485 178.066 177.584 -0.005 0.000 1.458 375 A CA -0.511 51.533 52.037 0.012 0.000 1.052 375 A CB -0.509 18.504 19.000 0.021 0.000 1.142 375 A HN 0.554 nan 8.150 nan 0.000 0.523 376 D N 1.703 122.100 120.400 -0.007 0.000 2.371 376 D HA 0.333 4.973 4.640 0.000 0.000 0.242 376 D C 1.223 177.513 176.300 -0.017 0.000 1.218 376 D CA 0.790 54.780 54.000 -0.016 0.000 0.945 376 D CB 0.876 41.670 40.800 -0.011 0.000 1.137 376 D HN 0.926 nan 8.370 nan 0.000 0.464 377 G N 0.629 109.415 108.800 -0.022 0.000 3.781 377 G HA2 -0.414 3.546 3.960 0.000 0.000 0.224 377 G HA3 -0.414 3.546 3.960 0.000 0.000 0.224 377 G C 1.092 175.982 174.900 -0.016 0.000 1.335 377 G CA 0.891 45.980 45.100 -0.019 0.000 1.052 377 G HN 0.607 nan 8.290 nan 0.000 0.598 378 L N 2.201 123.418 121.223 -0.011 0.000 1.997 378 L HA 0.089 4.429 4.340 0.000 0.000 0.216 378 L C 3.046 179.921 176.870 0.008 0.000 1.074 378 L CA 3.314 58.153 54.840 -0.002 0.000 0.763 378 L CB -1.248 40.812 42.059 0.003 0.000 0.890 378 L HN 0.661 nan 8.230 nan 0.000 0.434 379 G N -1.290 107.497 108.800 -0.021 0.000 2.513 379 G HA2 -0.337 3.624 3.960 0.000 0.000 0.219 379 G HA3 -0.337 3.624 3.960 0.000 0.000 0.219 379 G C 1.551 176.426 174.900 -0.042 0.000 1.160 379 G CA 1.138 46.191 45.100 -0.079 0.000 0.767 379 G HN 0.680 nan 8.290 nan 0.000 0.571 380 A N 0.335 123.130 122.820 -0.041 0.000 2.014 380 A HA 0.114 4.435 4.320 0.000 0.000 0.218 380 A C 2.316 179.911 177.584 0.017 0.000 1.163 380 A CA 1.664 53.691 52.037 -0.017 0.000 0.652 380 A CB -0.170 18.810 19.000 -0.033 0.000 0.808 380 A HN 0.399 nan 8.150 nan 0.000 0.449 381 K N -0.148 120.262 120.400 0.017 0.000 2.062 381 K HA 0.003 4.323 4.320 0.000 0.000 0.205 381 K C 1.777 178.398 176.600 0.034 0.000 1.051 381 K CA 1.286 57.581 56.287 0.014 0.000 0.941 381 K CB -0.403 32.096 32.500 -0.001 0.000 0.719 381 K HN 0.494 nan 8.250 nan 0.000 0.440 382 I N 1.821 122.433 120.570 0.071 0.000 2.118 382 I HA -0.309 3.861 4.170 0.000 0.000 0.241 382 I C 2.298 178.496 176.117 0.134 0.000 1.070 382 I CA 1.704 63.063 61.300 0.099 0.000 1.327 382 I CB -0.885 37.236 38.000 0.200 0.000 1.034 382 I HN 0.221 nan 8.210 nan 0.000 0.405 383 T N 0.124 114.834 114.554 0.259 0.000 2.720 383 T HA -0.261 4.089 4.350 0.000 0.000 0.268 383 T C 1.969 176.727 174.700 0.097 0.000 1.037 383 T CA 1.407 63.653 62.100 0.245 0.000 1.144 383 T CB -0.414 68.577 68.868 0.205 0.000 0.864 383 T HN 0.337 nan 8.240 nan 0.000 0.444 384 R N 0.836 121.372 120.500 0.059 0.000 2.066 384 R HA -0.094 4.246 4.340 0.000 0.000 0.232 384 R C 2.341 178.646 176.300 0.008 0.000 1.131 384 R CA 1.245 57.360 56.100 0.025 0.000 0.955 384 R CB -0.049 30.258 30.300 0.011 0.000 0.851 384 R HN 0.335 nan 8.270 nan 0.000 0.432 385 E N 0.116 120.316 120.200 0.001 0.000 2.152 385 E HA -0.150 4.200 4.350 0.000 0.000 0.192 385 E C 2.140 178.721 176.600 -0.031 0.000 0.983 385 E CA 0.763 57.152 56.400 -0.019 0.000 0.818 385 E CB -0.387 29.295 29.700 -0.030 0.000 0.758 385 E HN 0.402 nan 8.360 nan 0.000 0.467 386 C N 0.861 120.140 119.300 -0.035 0.000 2.413 386 C HA -0.168 4.292 4.460 0.000 0.000 0.277 386 C C 2.823 177.786 174.990 -0.046 0.000 1.228 386 C CA 1.172 60.151 59.018 -0.065 0.000 1.731 386 C CB -0.830 26.861 27.740 -0.080 0.000 2.042 386 C HN 0.399 nan 8.230 nan 0.000 0.468 387 M N 1.743 121.333 119.600 -0.016 0.000 2.080 387 M HA -0.122 4.358 4.480 0.000 0.000 0.260 387 M C 1.723 178.018 176.300 -0.009 0.000 1.068 387 M CA 1.794 57.090 55.300 -0.006 0.000 1.109 387 M CB -0.883 31.726 32.600 0.015 0.000 1.342 387 M HN 0.318 nan 8.290 nan 0.000 0.405 388 N N 0.178 118.872 118.700 -0.010 0.000 2.104 388 N HA -0.127 4.613 4.740 0.000 0.000 0.190 388 N C 1.625 177.126 175.510 -0.015 0.000 1.024 388 N CA 1.606 54.650 53.050 -0.010 0.000 0.853 388 N CB -0.639 37.841 38.487 -0.012 0.000 1.008 388 N HN 0.435 nan 8.380 nan 0.000 0.424 389 L N -0.800 120.408 121.223 -0.026 0.000 2.456 389 L HA 0.018 4.359 4.340 0.000 0.000 0.224 389 L C 1.097 177.947 176.870 -0.033 0.000 1.148 389 L CA 0.729 55.550 54.840 -0.033 0.000 0.825 389 L CB -0.521 41.509 42.059 -0.048 0.000 0.937 389 L HN 0.347 nan 8.230 nan 0.000 0.450 390 G N 0.729 109.512 108.800 -0.029 0.000 2.131 390 G HA2 -0.236 3.724 3.960 0.000 0.000 0.201 390 G HA3 -0.236 3.724 3.960 0.000 0.000 0.201 390 G C -0.453 174.421 174.900 -0.044 0.000 1.000 390 G CA -0.090 44.999 45.100 -0.019 0.000 0.680 390 G HN 0.166 nan 8.290 nan 0.000 0.514 391 L N 1.321 122.496 121.223 -0.081 0.000 2.342 391 L HA 0.820 5.161 4.340 0.000 0.000 0.276 391 L C 0.255 177.074 176.870 -0.086 0.000 0.997 391 L CA -0.542 54.211 54.840 -0.145 0.000 0.838 391 L CB 1.916 43.830 42.059 -0.242 0.000 1.224 391 L HN 0.184 nan 8.230 nan 0.000 0.416 392 S N 6.481 122.151 115.700 -0.051 0.000 2.422 392 S HA 0.614 5.085 4.470 0.000 0.000 0.283 392 S C -0.117 174.522 174.600 0.064 0.000 1.163 392 S CA -0.498 57.714 58.200 0.019 0.000 1.054 392 S CB -0.101 63.122 63.200 0.038 0.000 0.967 392 S HN 0.604 nan 8.310 nan 0.000 0.499 393 M N 4.152 123.806 119.600 0.091 0.000 2.761 393 M HA 0.450 4.930 4.480 0.000 0.000 0.305 393 M C -0.294 176.125 176.300 0.198 0.000 1.235 393 M CA -0.675 54.727 55.300 0.169 0.000 0.850 393 M CB 1.861 34.559 32.600 0.164 0.000 1.744 393 M HN 0.671 nan 8.290 nan 0.000 0.480 394 N N 1.340 120.185 118.700 0.242 0.000 2.480 394 N HA 0.462 5.202 4.740 0.000 0.000 0.289 394 N C -2.123 173.425 175.510 0.063 0.000 1.073 394 N CA -0.245 52.876 53.050 0.119 0.000 0.885 394 N CB 2.344 40.862 38.487 0.051 0.000 1.421 394 N HN 0.740 nan 8.380 nan 0.000 0.503 395 I N 3.796 124.302 120.570 -0.106 0.000 2.460 395 I HA 0.435 4.606 4.170 0.000 0.000 0.298 395 I C -0.606 175.386 176.117 -0.208 0.000 0.989 395 I CA -0.784 60.315 61.300 -0.334 0.000 1.173 395 I CB 1.586 39.175 38.000 -0.687 0.000 1.338 395 I HN 0.319 nan 8.210 nan 0.000 0.456 396 V N 4.441 124.240 119.914 -0.192 0.000 2.495 396 V HA 0.586 4.706 4.120 0.000 0.000 0.298 396 V C -0.935 175.086 176.094 -0.123 0.000 1.031 396 V CA -0.508 61.709 62.300 -0.139 0.000 0.871 396 V CB 1.556 33.306 31.823 -0.122 0.000 0.988 396 V HN 0.846 nan 8.190 nan 0.000 0.432 397 Q N 4.237 123.982 119.800 -0.092 0.000 2.363 397 Q HA 0.731 5.072 4.340 0.000 0.000 0.265 397 Q C -1.603 174.380 176.000 -0.028 0.000 1.032 397 Q CA -0.183 55.581 55.803 -0.065 0.000 0.746 397 Q CB 1.292 29.988 28.738 -0.069 0.000 1.237 397 Q HN 0.928 nan 8.270 nan 0.000 0.475 398 L N 4.971 126.188 121.223 -0.010 0.000 2.322 398 L HA 0.707 5.047 4.340 0.000 0.000 0.269 398 L C -2.041 174.849 176.870 0.033 0.000 1.012 398 L CA -2.096 52.753 54.840 0.016 0.000 0.815 398 L CB 1.179 43.248 42.059 0.017 0.000 1.295 398 L HN 0.583 nan 8.230 nan 0.000 0.438 399 P HA 0.050 nan 4.420 nan 0.000 0.261 399 P C 0.806 178.142 177.300 0.059 0.000 1.183 399 P CA 0.865 63.993 63.100 0.046 0.000 0.761 399 P CB 0.569 32.301 31.700 0.053 0.000 0.785 400 G N 2.295 111.125 108.800 0.049 0.000 2.184 400 G HA2 -0.260 3.700 3.960 0.000 0.000 0.264 400 G HA3 -0.260 3.700 3.960 0.000 0.000 0.264 400 G C 0.002 174.944 174.900 0.071 0.000 0.975 400 G CA 0.630 45.761 45.100 0.052 0.000 0.642 400 G HN 0.589 nan 8.290 nan 0.000 0.536 401 M N -0.324 119.333 119.600 0.095 0.000 2.691 401 M HA 0.712 5.192 4.480 0.000 0.000 0.293 401 M C 0.574 176.935 176.300 0.102 0.000 1.259 401 M CA -0.412 54.974 55.300 0.143 0.000 0.827 401 M CB 1.487 34.250 32.600 0.272 0.000 1.753 401 M HN 0.365 nan 8.290 nan 0.000 0.465 402 G N -0.026 108.851 108.800 0.128 0.000 2.467 402 G HA2 0.504 4.465 3.960 0.000 0.000 0.257 402 G HA3 0.504 4.465 3.960 0.000 0.000 0.257 402 G C 0.104 175.025 174.900 0.036 0.000 1.227 402 G CA -0.532 44.617 45.100 0.080 0.000 0.835 402 G HN 0.992 nan 8.290 nan 0.000 0.556 403 G N -0.861 107.921 108.800 -0.030 0.000 2.321 403 G HA2 0.373 4.334 3.960 0.000 0.000 0.237 403 G HA3 0.373 4.334 3.960 0.000 0.000 0.237 403 G C -0.225 174.582 174.900 -0.155 0.000 1.282 403 G CA -0.076 44.954 45.100 -0.117 0.000 0.886 403 G HN 0.691 nan 8.290 nan 0.000 0.528 404 V N 3.180 122.987 119.914 -0.179 0.000 2.448 404 V HA 0.372 4.492 4.120 0.000 0.000 0.295 404 V C -0.315 175.655 176.094 -0.206 0.000 1.025 404 V CA -0.715 61.503 62.300 -0.136 0.000 0.859 404 V CB 1.489 33.279 31.823 -0.055 0.000 0.988 404 V HN 0.600 nan 8.190 nan 0.000 0.431 405 F N 3.968 123.908 119.950 -0.016 0.000 2.420 405 F HA 0.466 4.993 4.527 0.000 0.000 0.352 405 F C 1.095 176.882 175.800 -0.021 0.000 1.108 405 F CA -0.254 57.738 58.000 -0.012 0.000 1.162 405 F CB 0.864 39.866 39.000 0.002 0.000 1.118 405 F HN 0.287 nan 8.300 nan 0.000 0.510 406 R N 5.693 126.292 120.500 0.165 0.000 2.215 406 R HA 0.458 4.798 4.340 0.000 0.000 0.337 406 R C -0.909 175.433 176.300 0.070 0.000 1.010 406 R CA -0.416 55.724 56.100 0.066 0.000 0.871 406 R CB 0.927 31.227 30.300 -0.001 0.000 1.134 406 R HN 0.576 nan 8.270 nan 0.000 0.477 407 I N 2.035 122.622 120.570 0.028 0.000 2.321 407 I HA 0.432 4.603 4.170 0.000 0.000 0.291 407 I C 0.154 176.190 176.117 -0.136 0.000 0.998 407 I CA -0.598 60.678 61.300 -0.039 0.000 1.227 407 I CB 1.790 39.763 38.000 -0.046 0.000 1.368 407 I HN 0.620 nan 8.210 nan 0.000 0.466 408 A N 8.264 130.975 122.820 -0.182 0.000 3.124 408 A HA 0.555 4.875 4.320 0.000 0.000 0.295 408 A C -2.842 174.610 177.584 -0.221 0.000 1.199 408 A CA -0.975 50.951 52.037 -0.185 0.000 0.845 408 A CB 0.344 19.282 19.000 -0.103 0.000 1.381 408 A HN 0.362 nan 8.150 nan 0.000 0.537 409 P HA 0.463 nan 4.420 nan 0.000 0.276 409 P C -2.799 174.388 177.300 -0.189 0.000 1.261 409 P CA -1.546 61.364 63.100 -0.317 0.000 0.800 409 P CB -0.190 31.178 31.700 -0.552 0.000 1.066 410 P HA 0.100 nan 4.420 nan 0.000 0.268 410 P C 0.957 178.203 177.300 -0.090 0.000 1.208 410 P CA 0.230 63.270 63.100 -0.100 0.000 0.777 410 P CB 0.216 31.873 31.700 -0.072 0.000 0.875 411 L N 0.794 121.972 121.223 -0.075 0.000 2.395 411 L HA -0.055 4.285 4.340 0.000 0.000 0.218 411 L C 1.642 178.491 176.870 -0.036 0.000 1.130 411 L CA 1.419 56.220 54.840 -0.065 0.000 0.826 411 L CB -1.101 40.918 42.059 -0.067 0.000 0.941 411 L HN 0.468 nan 8.230 nan 0.000 0.451 412 T N -3.341 111.203 114.554 -0.016 0.000 3.169 412 T HA 0.108 4.458 4.350 0.000 0.000 0.250 412 T C 0.647 175.358 174.700 0.018 0.000 1.111 412 T CA -0.229 61.884 62.100 0.021 0.000 1.010 412 T CB -0.250 68.658 68.868 0.067 0.000 0.984 412 T HN 0.012 nan 8.240 nan 0.000 0.537 413 V N 3.677 123.586 119.914 -0.009 0.000 2.763 413 V HA 0.364 4.484 4.120 0.000 0.000 0.306 413 V C 0.636 176.743 176.094 0.022 0.000 1.059 413 V CA -0.248 62.053 62.300 0.000 0.000 1.138 413 V CB 0.728 32.531 31.823 -0.034 0.000 0.940 413 V HN 0.783 nan 8.190 nan 0.000 0.489 414 S N 4.923 120.652 115.700 0.048 0.000 2.672 414 S HA 0.385 4.855 4.470 0.000 0.000 0.276 414 S C 0.896 175.530 174.600 0.056 0.000 1.207 414 S CA -0.259 57.974 58.200 0.055 0.000 1.002 414 S CB 1.318 64.563 63.200 0.074 0.000 0.998 414 S HN 0.783 nan 8.310 nan 0.000 0.542 415 E N 1.140 121.368 120.200 0.047 0.000 2.085 415 E HA -0.198 4.152 4.350 0.000 0.000 0.194 415 E C 0.938 177.573 176.600 0.058 0.000 0.994 415 E CA 1.420 57.847 56.400 0.044 0.000 0.801 415 E CB -0.436 29.285 29.700 0.034 0.000 0.743 415 E HN 0.694 nan 8.360 nan 0.000 0.453 416 D N 1.198 121.638 120.400 0.065 0.000 2.117 416 D HA -0.123 4.518 4.640 0.000 0.000 0.198 416 D C 1.861 178.219 176.300 0.096 0.000 0.982 416 D CA 0.945 54.990 54.000 0.074 0.000 0.828 416 D CB -0.142 40.704 40.800 0.076 0.000 0.967 416 D HN 0.315 nan 8.370 nan 0.000 0.464 417 E N 0.245 120.515 120.200 0.116 0.000 2.110 417 E HA -0.112 4.238 4.350 0.000 0.000 0.193 417 E C 2.185 178.874 176.600 0.149 0.000 0.988 417 E CA 0.305 56.783 56.400 0.129 0.000 0.804 417 E CB 0.138 29.900 29.700 0.104 0.000 0.745 417 E HN 0.199 nan 8.360 nan 0.000 0.458 418 I N 1.766 122.433 120.570 0.161 0.000 2.226 418 I HA -0.240 3.930 4.170 0.000 0.000 0.245 418 I C 1.655 177.865 176.117 0.154 0.000 1.100 418 I CA 1.427 62.855 61.300 0.215 0.000 1.374 418 I CB -0.856 37.214 38.000 0.116 0.000 1.057 418 I HN 0.106 nan 8.210 nan 0.000 0.413 419 D N 0.523 120.976 120.400 0.089 0.000 2.117 419 D HA -0.153 4.487 4.640 0.000 0.000 0.198 419 D C 2.152 178.468 176.300 0.027 0.000 0.982 419 D CA 0.770 54.802 54.000 0.054 0.000 0.828 419 D CB -0.318 40.508 40.800 0.043 0.000 0.967 419 D HN 0.143 nan 8.370 nan 0.000 0.464 420 L N 1.143 122.380 121.223 0.024 0.000 2.012 420 L HA -0.069 4.271 4.340 0.000 0.000 0.210 420 L C 2.207 179.012 176.870 -0.108 0.000 1.073 420 L CA 2.184 57.016 54.840 -0.013 0.000 0.748 420 L CB -1.059 41.020 42.059 0.032 0.000 0.891 420 L HN 0.070 nan 8.230 nan 0.000 0.431 421 G N -0.571 108.109 108.800 -0.200 0.000 2.446 421 G HA2 -0.235 3.726 3.960 0.000 0.000 0.217 421 G HA3 -0.235 3.726 3.960 0.000 0.000 0.217 421 G C 1.494 176.262 174.900 -0.219 0.000 1.168 421 G CA 0.870 45.672 45.100 -0.496 0.000 0.771 421 G HN 0.332 nan 8.290 nan 0.000 0.551 422 L N 1.159 122.360 121.223 -0.037 0.000 2.042 422 L HA -0.050 4.290 4.340 0.000 0.000 0.210 422 L C 3.043 179.902 176.870 -0.019 0.000 1.076 422 L CA 1.882 56.725 54.840 0.005 0.000 0.749 422 L CB -1.315 40.769 42.059 0.041 0.000 0.893 422 L HN 0.348 nan 8.230 nan 0.000 0.432 423 S N -0.447 115.237 115.700 -0.027 0.000 2.354 423 S HA -0.175 4.295 4.470 0.000 0.000 0.219 423 S C 2.132 176.711 174.600 -0.035 0.000 1.035 423 S CA 1.363 59.552 58.200 -0.018 0.000 1.037 423 S CB -0.230 62.961 63.200 -0.016 0.000 0.956 423 S HN 0.358 nan 8.310 nan 0.000 0.428 424 L N 0.928 122.105 121.223 -0.077 0.000 2.013 424 L HA -0.152 4.188 4.340 0.000 0.000 0.212 424 L C 2.631 179.438 176.870 -0.106 0.000 1.073 424 L CA 1.468 56.251 54.840 -0.095 0.000 0.753 424 L CB -0.788 41.186 42.059 -0.141 0.000 0.890 424 L HN 0.388 nan 8.230 nan 0.000 0.432 425 L N 0.476 121.618 121.223 -0.136 0.000 2.079 425 L HA -0.091 4.249 4.340 0.000 0.000 0.210 425 L C 2.320 179.138 176.870 -0.087 0.000 1.081 425 L CA 2.120 56.869 54.840 -0.152 0.000 0.752 425 L CB -1.002 40.951 42.059 -0.176 0.000 0.896 425 L HN 0.135 nan 8.230 nan 0.000 0.433 426 G N -1.446 107.359 108.800 0.008 0.000 2.402 426 G HA2 -0.239 3.722 3.960 0.000 0.000 0.216 426 G HA3 -0.239 3.722 3.960 0.000 0.000 0.216 426 G C 1.409 176.366 174.900 0.095 0.000 1.162 426 G CA 0.683 45.871 45.100 0.147 0.000 0.777 426 G HN 0.561 nan 8.290 nan 0.000 0.539 427 Q N 0.313 120.131 119.800 0.030 0.000 2.119 427 Q HA 0.013 4.353 4.340 0.000 0.000 0.201 427 Q C 2.995 178.973 176.000 -0.037 0.000 0.972 427 Q CA 1.120 56.931 55.803 0.013 0.000 0.847 427 Q CB -0.281 28.455 28.738 -0.004 0.000 0.903 427 Q HN 0.466 nan 8.270 nan 0.000 0.433 428 A N 1.348 124.121 122.820 -0.077 0.000 1.902 428 A HA -0.175 4.145 4.320 0.000 0.000 0.217 428 A C 2.068 179.564 177.584 -0.147 0.000 1.181 428 A CA 1.134 53.110 52.037 -0.101 0.000 0.623 428 A CB -0.597 18.329 19.000 -0.122 0.000 0.818 428 A HN 0.276 nan 8.150 nan 0.000 0.443 429 I N 0.151 120.572 120.570 -0.249 0.000 2.202 429 I HA -0.247 3.923 4.170 0.000 0.000 0.242 429 I C 2.702 178.567 176.117 -0.419 0.000 1.091 429 I CA 1.848 62.872 61.300 -0.460 0.000 1.368 429 I CB -0.738 36.670 38.000 -0.987 0.000 1.058 429 I HN 0.676 nan 8.210 nan 0.000 0.410 430 E N 1.999 122.042 120.200 -0.262 0.000 2.150 430 E HA -0.280 4.070 4.350 0.000 0.000 0.193 430 E C 2.254 178.842 176.600 -0.021 0.000 0.985 430 E CA 1.059 57.443 56.400 -0.026 0.000 0.814 430 E CB -0.306 29.522 29.700 0.214 0.000 0.752 430 E HN 0.394 nan 8.360 nan 0.000 0.466 431 R N 0.579 121.056 120.500 -0.039 0.000 2.189 431 R HA 0.015 4.355 4.340 0.000 0.000 0.218 431 R C 2.122 178.401 176.300 -0.035 0.000 1.074 431 R CA 1.179 57.264 56.100 -0.025 0.000 0.991 431 R CB -0.179 30.106 30.300 -0.025 0.000 0.883 431 R HN 0.252 nan 8.270 nan 0.000 0.457 432 A N 0.246 123.027 122.820 -0.064 0.000 2.072 432 A HA 0.189 4.509 4.320 0.000 0.000 0.216 432 A C 0.666 178.224 177.584 -0.044 0.000 1.156 432 A CA 0.267 52.272 52.037 -0.054 0.000 0.701 432 A CB -0.050 18.912 19.000 -0.063 0.000 0.816 432 A HN 0.218 nan 8.150 nan 0.000 0.458 433 L N 0.000 121.194 121.223 -0.049 0.000 2.949 433 L HA 0.000 4.340 4.340 0.000 0.000 0.249 433 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 433 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502