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 1d7v_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 0.000 176.893 176.870 0.038 0.000 1.165 3 L CA 0.000 54.853 54.840 0.021 0.000 0.813 3 L CB 0.000 42.075 42.059 0.027 0.000 0.961 4 N N 0.913 119.648 118.700 0.059 0.000 2.573 4 N HA -0.069 4.671 4.740 0.000 0.000 0.187 4 N C 0.205 175.872 175.510 0.262 0.000 1.107 4 N CA 0.745 53.870 53.050 0.125 0.000 0.918 4 N CB 0.233 38.800 38.487 0.134 0.000 0.966 4 N HN 0.548 nan 8.380 nan 0.000 0.448 5 D N 1.020 121.515 120.400 0.158 0.000 2.378 5 D HA -0.104 4.536 4.640 0.000 0.000 0.222 5 D C 0.180 176.643 176.300 0.271 0.000 0.980 5 D CA 0.398 54.497 54.000 0.166 0.000 0.907 5 D CB -0.281 40.560 40.800 0.068 0.000 0.899 5 D HN 0.178 nan 8.370 nan 0.000 0.527 6 D N 0.931 121.484 120.400 0.256 0.000 2.899 6 D HA -0.129 4.511 4.640 0.000 0.000 0.254 6 D C 1.200 177.708 176.300 0.346 0.000 1.320 6 D CA 0.041 54.180 54.000 0.231 0.000 0.929 6 D CB 0.531 41.411 40.800 0.132 0.000 1.148 6 D HN 0.062 nan 8.370 nan 0.000 0.571 7 A N 3.539 126.505 122.820 0.243 0.000 2.024 7 A HA -0.173 4.147 4.320 0.000 0.000 0.220 7 A C 2.155 179.853 177.584 0.189 0.000 1.164 7 A CA 1.702 53.874 52.037 0.225 0.000 0.643 7 A CB -0.118 18.965 19.000 0.138 0.000 0.806 7 A HN 0.617 nan 8.150 nan 0.000 0.451 8 T N -1.122 113.524 114.554 0.153 0.000 2.851 8 T HA -0.020 4.331 4.350 0.000 0.000 0.262 8 T C 1.558 176.305 174.700 0.077 0.000 1.043 8 T CA 1.121 63.281 62.100 0.100 0.000 1.140 8 T CB -0.375 68.542 68.868 0.082 0.000 0.872 8 T HN 0.450 nan 8.240 nan 0.000 0.446 9 F N 1.228 121.138 119.950 -0.066 0.000 2.000 9 F HA -0.173 4.354 4.527 0.000 0.000 0.296 9 F C 1.873 177.495 175.800 -0.297 0.000 1.159 9 F CA 1.371 59.225 58.000 -0.244 0.000 1.183 9 F CB -0.758 38.014 39.000 -0.379 0.000 0.959 9 F HN 0.164 nan 8.300 nan 0.000 0.490 10 W N 0.829 122.210 121.300 0.136 0.000 2.308 10 W HA -0.230 4.431 4.660 0.000 0.000 0.301 10 W C 2.787 179.257 176.519 -0.082 0.000 1.220 10 W CA 1.876 59.216 57.345 -0.007 0.000 1.240 10 W CB -0.790 28.733 29.460 0.105 0.000 1.142 10 W HN 0.069 nan 8.180 nan 0.000 0.521 11 R N 1.002 121.560 120.500 0.098 0.000 2.070 11 R HA -0.190 4.150 4.340 0.000 0.000 0.232 11 R C 1.686 177.941 176.300 -0.074 0.000 1.138 11 R CA 2.189 58.305 56.100 0.028 0.000 0.936 11 R CB -0.938 29.385 30.300 0.037 0.000 0.839 11 R HN 0.294 nan 8.270 nan 0.000 0.429 12 N N -0.119 118.519 118.700 -0.102 0.000 2.289 12 N HA -0.150 4.590 4.740 0.000 0.000 0.184 12 N C 1.712 177.110 175.510 -0.186 0.000 1.016 12 N CA 0.832 53.832 53.050 -0.082 0.000 0.872 12 N CB -0.080 38.387 38.487 -0.034 0.000 0.973 12 N HN 0.335 nan 8.380 nan 0.000 0.433 13 A N 1.458 124.066 122.820 -0.352 0.000 1.898 13 A HA -0.067 4.253 4.320 0.000 0.000 0.216 13 A C 2.157 179.650 177.584 -0.152 0.000 1.181 13 A CA 1.008 52.810 52.037 -0.391 0.000 0.620 13 A CB -0.306 18.313 19.000 -0.636 0.000 0.819 13 A HN 0.158 nan 8.150 nan 0.000 0.442 14 R N -0.965 119.497 120.500 -0.064 0.000 2.075 14 R HA -0.104 4.237 4.340 0.000 0.000 0.232 14 R C 2.500 178.742 176.300 -0.096 0.000 1.126 14 R CA 1.625 57.720 56.100 -0.008 0.000 0.963 14 R CB -0.222 30.096 30.300 0.028 0.000 0.858 14 R HN 0.669 nan 8.270 nan 0.000 0.435 15 Q N -1.038 118.622 119.800 -0.233 0.000 2.083 15 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 15 Q C 0.972 176.641 176.000 -0.552 0.000 0.969 15 Q CA 1.095 56.617 55.803 -0.468 0.000 0.838 15 Q CB 0.344 28.610 28.738 -0.786 0.000 0.900 15 Q HN 0.568 nan 8.270 nan 0.000 0.436 16 H N -1.780 117.265 119.070 -0.041 0.000 2.893 16 H HA 0.264 4.820 4.556 0.000 0.000 0.270 16 H C -0.048 175.270 175.328 -0.015 0.000 1.095 16 H CA -0.045 55.983 56.048 -0.032 0.000 1.186 16 H CB 0.831 30.562 29.762 -0.050 0.000 1.562 16 H HN 0.111 nan 8.280 nan 0.000 0.536 17 L N 1.973 123.236 121.223 0.067 0.000 2.312 17 L HA 0.258 4.598 4.340 0.000 0.000 0.281 17 L C 0.180 177.151 176.870 0.169 0.000 1.070 17 L CA -0.687 54.216 54.840 0.106 0.000 0.805 17 L CB 2.202 44.291 42.059 0.049 0.000 1.174 17 L HN -0.160 nan 8.230 nan 0.000 0.434 18 V N 4.152 124.190 119.914 0.208 0.000 2.649 18 V HA 0.219 4.339 4.120 0.000 0.000 0.292 18 V C 0.373 176.636 176.094 0.282 0.000 1.055 18 V CA -0.397 62.025 62.300 0.204 0.000 1.023 18 V CB 1.357 33.292 31.823 0.187 0.000 0.992 18 V HN 0.681 nan 8.190 nan 0.000 0.480 19 R N 4.109 124.698 120.500 0.148 0.000 2.207 19 R HA 0.288 4.628 4.340 0.000 0.000 0.334 19 R C -0.386 175.888 176.300 -0.044 0.000 1.013 19 R CA -0.285 55.792 56.100 -0.039 0.000 0.858 19 R CB 0.491 30.731 30.300 -0.100 0.000 1.094 19 R HN 0.855 nan 8.270 nan 0.000 0.457 20 Y N -0.273 120.022 120.300 -0.008 0.000 2.607 20 Y HA 0.524 5.074 4.550 0.000 0.000 0.266 20 Y C 0.452 176.340 175.900 -0.020 0.000 1.178 20 Y CA -0.748 57.356 58.100 0.007 0.000 1.226 20 Y CB 0.753 39.245 38.460 0.054 0.000 1.144 20 Y HN 0.646 nan 8.280 nan 0.000 0.528 21 G N -0.628 108.019 108.800 -0.255 0.000 2.957 21 G HA2 0.464 4.424 3.960 0.000 0.000 0.636 21 G HA3 0.464 4.424 3.960 0.000 0.000 0.636 21 G C -0.103 174.643 174.900 -0.258 0.000 1.401 21 G CA -0.490 44.525 45.100 -0.140 0.000 0.941 21 G HN 1.272 nan 8.290 nan 0.000 0.610 22 G N 0.419 109.103 108.800 -0.192 0.000 2.512 22 G HA2 0.445 4.405 3.960 0.000 0.000 0.240 22 G HA3 0.445 4.405 3.960 0.000 0.000 0.240 22 G C 0.236 174.965 174.900 -0.285 0.000 1.246 22 G CA 0.773 45.758 45.100 -0.190 0.000 0.919 22 G HN 2.814 nan 8.290 nan 0.000 0.577 23 T N -2.319 112.077 114.554 -0.264 0.000 2.952 23 T HA 0.607 4.958 4.350 0.000 0.000 0.305 23 T C -0.331 174.265 174.700 -0.172 0.000 1.064 23 T CA -0.642 61.303 62.100 -0.258 0.000 1.008 23 T CB 1.654 70.457 68.868 -0.109 0.000 1.078 23 T HN 0.788 nan 8.240 nan 0.000 0.459 24 F N 1.967 121.935 119.950 0.031 0.000 2.538 24 F HA 0.254 4.781 4.527 0.000 0.000 0.371 24 F C 1.317 177.212 175.800 0.158 0.000 1.087 24 F CA -0.608 57.469 58.000 0.128 0.000 1.250 24 F CB 0.572 39.714 39.000 0.236 0.000 1.110 24 F HN 0.428 nan 8.300 nan 0.000 0.570 25 E N 5.420 125.846 120.200 0.375 0.000 2.417 25 E HA 0.010 4.360 4.350 0.000 0.000 0.261 25 E C -1.691 175.099 176.600 0.318 0.000 1.000 25 E CA -1.947 54.605 56.400 0.254 0.000 0.919 25 E CB 0.401 30.227 29.700 0.210 0.000 0.955 25 E HN 0.241 nan 8.360 nan 0.000 0.455 26 P HA -0.041 nan 4.420 nan 0.000 0.277 26 P C -0.249 177.107 177.300 0.094 0.000 1.617 26 P CA 0.509 63.542 63.100 -0.111 0.000 0.829 26 P CB -0.407 31.175 31.700 -0.196 0.000 1.774 27 M N -1.516 118.298 119.600 0.356 0.000 2.667 27 M HA 0.565 5.045 4.480 0.000 0.000 0.286 27 M C -1.362 175.141 176.300 0.339 0.000 1.270 27 M CA -1.495 53.984 55.300 0.298 0.000 0.826 27 M CB 2.240 34.928 32.600 0.147 0.000 1.743 27 M HN -0.351 nan 8.290 nan 0.000 0.460 28 I N 3.012 123.646 120.570 0.107 0.000 2.362 28 I HA 0.380 4.550 4.170 0.000 0.000 0.289 28 I C -0.723 175.347 176.117 -0.079 0.000 0.994 28 I CA -0.968 60.240 61.300 -0.153 0.000 1.158 28 I CB 1.746 39.424 38.000 -0.538 0.000 1.315 28 I HN 0.546 nan 8.210 nan 0.000 0.451 29 I N 6.066 126.611 120.570 -0.040 0.000 2.365 29 I HA 0.204 4.374 4.170 0.000 0.000 0.291 29 I C 1.080 177.183 176.117 -0.023 0.000 1.004 29 I CA 0.073 61.372 61.300 -0.002 0.000 1.311 29 I CB 1.077 39.092 38.000 0.024 0.000 1.401 29 I HN 0.671 nan 8.210 nan 0.000 0.491 30 E N 4.952 125.154 120.200 0.004 0.000 2.399 30 E HA 0.122 4.473 4.350 0.000 0.000 0.205 30 E C 0.464 177.079 176.600 0.024 0.000 0.906 30 E CA 0.143 56.540 56.400 -0.006 0.000 0.998 30 E CB 1.212 30.900 29.700 -0.019 0.000 1.002 30 E HN 0.665 nan 8.360 nan 0.000 0.501 31 R N -0.210 120.338 120.500 0.080 0.000 2.663 31 R HA 0.667 5.007 4.340 0.000 0.000 0.267 31 R C -1.926 174.505 176.300 0.219 0.000 1.038 31 R CA -0.620 55.543 56.100 0.105 0.000 0.886 31 R CB 1.537 31.855 30.300 0.030 0.000 1.249 31 R HN -0.065 nan 8.270 nan 0.000 0.463 32 A N 2.584 125.497 122.820 0.156 0.000 2.408 32 A HA 0.667 4.987 4.320 0.000 0.000 0.295 32 A C -1.439 176.272 177.584 0.213 0.000 1.040 32 A CA -0.767 51.315 52.037 0.074 0.000 0.707 32 A CB 1.921 20.749 19.000 -0.287 0.000 1.235 32 A HN 0.672 nan 8.150 nan 0.000 0.418 33 K N 2.012 122.609 120.400 0.329 0.000 2.535 33 K HA 0.540 4.860 4.320 0.000 0.000 0.251 33 K C 0.589 177.392 176.600 0.339 0.000 0.942 33 K CA 0.341 56.824 56.287 0.327 0.000 0.798 33 K CB 1.740 34.419 32.500 0.298 0.000 1.267 33 K HN 2.123 nan 8.250 nan 0.000 0.434 34 G N 1.817 110.777 108.800 0.266 0.000 2.596 34 G HA2 -0.322 3.638 3.960 0.000 0.000 0.295 34 G HA3 -0.322 3.638 3.960 0.000 0.000 0.295 34 G C 0.234 175.245 174.900 0.185 0.000 1.240 34 G CA 0.398 45.621 45.100 0.206 0.000 0.985 34 G HN 0.565 nan 8.290 nan 0.000 0.555 35 S N 0.732 116.443 115.700 0.018 0.000 2.743 35 S HA 0.506 4.976 4.470 0.000 0.000 0.230 35 S C -0.154 174.117 174.600 -0.549 0.000 0.950 35 S CA 0.467 58.536 58.200 -0.218 0.000 0.976 35 S CB -0.316 62.679 63.200 -0.340 0.000 0.779 35 S HN 0.421 nan 8.310 nan 0.000 0.487 36 F N 0.952 120.915 119.950 0.022 0.000 2.565 36 F HA 0.581 5.108 4.527 -0.000 0.000 0.313 36 F C -0.155 175.378 175.800 -0.445 0.000 1.091 36 F CA -1.311 56.530 58.000 -0.265 0.000 0.915 36 F CB 1.753 40.459 39.000 -0.491 0.000 1.208 36 F HN -0.095 nan 8.300 nan 0.000 0.453 37 V N -0.184 119.527 119.914 -0.338 0.000 2.715 37 V HA 0.670 4.790 4.120 0.000 0.000 0.310 37 V C -1.651 174.188 176.094 -0.424 0.000 1.054 37 V CA -1.060 61.041 62.300 -0.332 0.000 0.928 37 V CB 1.671 33.358 31.823 -0.228 0.000 1.007 37 V HN 0.637 nan 8.190 nan 0.000 0.437 38 Y N 2.021 122.318 120.300 -0.005 0.000 2.446 38 Y HA 0.633 5.183 4.550 0.001 0.000 0.345 38 Y C 0.281 176.172 175.900 -0.015 0.000 0.984 38 Y CA -0.859 57.238 58.100 -0.004 0.000 1.058 38 Y CB 1.429 39.877 38.460 -0.019 0.000 1.220 38 Y HN 0.957 nan 8.280 nan 0.000 0.455 39 D N 0.991 121.467 120.400 0.127 0.000 2.440 39 D HA 0.235 4.876 4.640 0.000 0.000 0.269 39 D C 1.021 177.346 176.300 0.041 0.000 1.249 39 D CA -0.170 53.869 54.000 0.065 0.000 1.055 39 D CB 0.495 41.326 40.800 0.051 0.000 1.104 39 D HN 0.543 nan 8.370 nan 0.000 0.561 40 A N -0.743 122.079 122.820 0.002 0.000 2.119 40 A HA -0.077 4.243 4.320 0.000 0.000 0.217 40 A C 1.360 178.939 177.584 -0.007 0.000 1.153 40 A CA 1.010 53.032 52.037 -0.025 0.000 0.692 40 A CB -0.382 18.582 19.000 -0.060 0.000 0.799 40 A HN 0.490 nan 8.150 nan 0.000 0.458 41 D N -1.520 118.887 120.400 0.011 0.000 2.350 41 D HA 0.241 4.881 4.640 0.000 0.000 0.213 41 D C 1.443 177.751 176.300 0.013 0.000 1.031 41 D CA 1.138 55.143 54.000 0.009 0.000 0.861 41 D CB 0.406 41.214 40.800 0.013 0.000 0.926 41 D HN 0.542 nan 8.370 nan 0.000 0.520 42 G N 1.481 110.302 108.800 0.035 0.000 2.194 42 G HA2 -0.305 3.656 3.960 0.000 0.000 0.236 42 G HA3 -0.305 3.656 3.960 0.000 0.000 0.236 42 G C 0.547 175.519 174.900 0.120 0.000 0.987 42 G CA -0.065 45.064 45.100 0.049 0.000 0.635 42 G HN 0.358 nan 8.290 nan 0.000 0.520 43 R N 1.022 121.574 120.500 0.087 0.000 2.583 43 R HA 0.457 4.797 4.340 0.000 0.000 0.274 43 R C 0.630 176.990 176.300 0.101 0.000 0.998 43 R CA 0.711 56.853 56.100 0.070 0.000 1.081 43 R CB 0.165 30.486 30.300 0.035 0.000 0.940 43 R HN 0.714 nan 8.270 nan 0.000 0.413 44 A N 5.639 128.474 122.820 0.026 0.000 2.276 44 A HA 0.435 4.755 4.320 0.000 0.000 0.316 44 A C -0.651 176.886 177.584 -0.078 0.000 1.229 44 A CA -0.690 51.248 52.037 -0.166 0.000 0.851 44 A CB 0.565 19.373 19.000 -0.320 0.000 1.165 44 A HN 0.666 nan 8.150 nan 0.000 0.513 45 I N 2.632 123.170 120.570 -0.053 0.000 2.362 45 I HA 0.222 4.392 4.170 0.000 0.000 0.289 45 I C -0.204 176.001 176.117 0.148 0.000 0.994 45 I CA -0.466 60.866 61.300 0.053 0.000 1.158 45 I CB 1.733 39.728 38.000 -0.009 0.000 1.315 45 I HN 0.632 nan 8.210 nan 0.000 0.451 46 L N 6.652 127.939 121.223 0.108 0.000 2.433 46 L HA 0.143 4.484 4.340 0.000 0.000 0.275 46 L C 0.313 177.105 176.870 -0.130 0.000 1.128 46 L CA 0.460 55.159 54.840 -0.235 0.000 0.875 46 L CB 0.012 41.930 42.059 -0.235 0.000 1.171 46 L HN 0.487 nan 8.230 nan 0.000 0.463 47 D N 4.623 124.948 120.400 -0.125 0.000 2.508 47 D HA -0.038 4.602 4.640 0.000 0.000 0.224 47 D C 0.544 176.939 176.300 0.158 0.000 1.171 47 D CA 0.009 54.038 54.000 0.049 0.000 1.006 47 D CB 0.037 40.911 40.800 0.124 0.000 1.073 47 D HN 0.453 nan 8.370 nan 0.000 0.513 48 F N 1.079 120.981 119.950 -0.079 0.000 2.795 48 F HA 0.002 4.529 4.527 0.000 0.000 0.303 48 F C 2.034 177.811 175.800 -0.039 0.000 1.186 48 F CA 0.502 58.460 58.000 -0.069 0.000 1.415 48 F CB -0.069 38.891 39.000 -0.067 0.000 1.106 48 F HN 0.274 nan 8.300 nan 0.000 0.558 49 T N -5.807 108.806 114.554 0.098 0.000 3.111 49 T HA 0.136 4.486 4.350 0.000 0.000 0.284 49 T C 0.793 175.496 174.700 0.005 0.000 0.983 49 T CA 0.355 62.476 62.100 0.036 0.000 0.900 49 T CB -0.261 68.642 68.868 0.058 0.000 1.132 49 T HN -0.095 nan 8.240 nan 0.000 0.531 50 S N 1.215 116.915 115.700 0.001 0.000 3.549 50 S HA 0.002 4.472 4.470 0.000 0.000 0.366 50 S C 1.515 176.104 174.600 -0.019 0.000 1.012 50 S CA 1.111 59.285 58.200 -0.043 0.000 1.141 50 S CB -1.942 61.206 63.200 -0.086 0.000 0.910 50 S HN 1.905 nan 8.310 nan 0.000 0.471 51 G N 0.899 109.745 108.800 0.076 0.000 2.523 51 G HA2 -0.353 3.607 3.960 0.000 0.000 0.271 51 G HA3 -0.353 3.607 3.960 0.000 0.000 0.271 51 G C -0.132 174.802 174.900 0.057 0.000 1.146 51 G CA 0.618 45.784 45.100 0.110 0.000 0.961 51 G HN 0.821 nan 8.290 nan 0.000 0.549 52 Q N 0.135 119.956 119.800 0.036 0.000 2.823 52 Q HA 0.686 5.026 4.340 0.000 0.000 0.370 52 Q C 0.757 176.744 176.000 -0.023 0.000 1.110 52 Q CA 0.516 56.323 55.803 0.006 0.000 0.990 52 Q CB -0.717 28.027 28.738 0.011 0.000 1.383 52 Q HN 0.715 nan 8.270 nan 0.000 0.430 53 M N -0.944 118.640 119.600 -0.027 0.000 2.537 53 M HA -0.306 4.174 4.480 0.000 0.000 0.205 53 M C 0.091 176.364 176.300 -0.044 0.000 0.450 53 M CA 0.891 56.165 55.300 -0.044 0.000 0.553 53 M CB -1.708 30.860 32.600 -0.054 0.000 2.046 53 M HN 0.354 nan 8.290 nan 0.000 0.797 54 S N -1.399 114.272 115.700 -0.047 0.000 2.807 54 S HA 0.430 4.901 4.470 0.000 0.000 0.247 54 S C 1.080 175.632 174.600 -0.080 0.000 1.078 54 S CA 0.125 58.296 58.200 -0.049 0.000 0.867 54 S CB 0.453 63.635 63.200 -0.030 0.000 0.797 54 S HN 0.708 nan 8.310 nan 0.000 0.515 55 A N 2.411 125.155 122.820 -0.126 0.000 3.196 55 A HA 0.197 4.518 4.320 0.000 0.000 0.275 55 A C 1.337 178.831 177.584 -0.150 0.000 2.036 55 A CA 0.071 51.993 52.037 -0.192 0.000 1.503 55 A CB -1.070 17.669 19.000 -0.435 0.000 0.918 55 A HN 0.257 nan 8.150 nan 0.000 0.599 56 V N 1.353 121.203 119.914 -0.107 0.000 2.469 56 V HA -0.188 3.932 4.120 0.000 0.000 0.251 56 V C 1.906 177.945 176.094 -0.092 0.000 1.064 56 V CA 2.066 64.309 62.300 -0.095 0.000 1.066 56 V CB -0.213 31.559 31.823 -0.085 0.000 0.667 56 V HN 0.825 nan 8.190 nan 0.000 0.461 57 L N -0.738 120.430 121.223 -0.093 0.000 2.667 57 L HA 0.445 4.785 4.340 0.000 0.000 0.232 57 L C 0.989 177.893 176.870 0.056 0.000 1.138 57 L CA 0.520 55.322 54.840 -0.064 0.000 0.921 57 L CB -0.414 41.512 42.059 -0.222 0.000 1.180 57 L HN 0.507 nan 8.230 nan 0.000 0.487 58 G N 0.056 108.830 108.800 -0.043 0.000 2.796 58 G HA2 -0.207 3.753 3.960 0.000 0.000 0.571 58 G HA3 -0.207 3.753 3.960 0.000 0.000 0.571 58 G C -0.493 174.348 174.900 -0.097 0.000 1.370 58 G CA -0.830 44.228 45.100 -0.069 0.000 0.856 58 G HN 0.288 nan 8.290 nan 0.000 0.538 59 H N -0.547 118.570 119.070 0.079 0.000 2.878 59 H HA 0.330 4.886 4.556 0.000 0.000 0.290 59 H C 1.163 176.551 175.328 0.100 0.000 1.065 59 H CA 0.907 57.008 56.048 0.088 0.000 1.477 59 H CB 0.051 29.869 29.762 0.092 0.000 1.484 59 H HN 1.269 nan 8.280 nan 0.000 0.504 60 C N 2.932 122.348 119.300 0.194 0.000 4.236 60 C HA -0.181 4.280 4.460 0.000 0.000 0.311 60 C C 0.862 175.925 174.990 0.122 0.000 1.225 60 C CA 0.076 59.182 59.018 0.148 0.000 2.165 60 C CB -3.217 24.606 27.740 0.137 0.000 1.316 60 C HN 0.888 nan 8.230 nan 0.000 0.670 61 H N 2.534 121.636 119.070 0.054 0.000 3.004 61 H HA 0.254 4.810 4.556 0.000 0.000 0.267 61 H C -0.240 175.111 175.328 0.039 0.000 1.165 61 H CA -0.603 55.469 56.048 0.041 0.000 1.450 61 H CB 0.885 30.658 29.762 0.020 0.000 1.488 61 H HN 0.329 nan 8.280 nan 0.000 0.478 62 P HA -0.382 nan 4.420 nan 0.000 0.233 62 P C 0.835 178.207 177.300 0.120 0.000 1.146 62 P CA 1.774 64.874 63.100 0.001 0.000 0.931 62 P CB 0.403 32.048 31.700 -0.091 0.000 0.777 63 E N -1.186 119.190 120.200 0.293 0.000 2.106 63 E HA -0.095 4.255 4.350 0.000 0.000 0.192 63 E C 2.199 178.892 176.600 0.154 0.000 0.984 63 E CA 0.862 57.395 56.400 0.222 0.000 0.806 63 E CB -0.456 29.385 29.700 0.236 0.000 0.750 63 E HN 0.277 nan 8.360 nan 0.000 0.458 64 I N 1.380 122.055 120.570 0.175 0.000 2.202 64 I HA -0.193 3.978 4.170 0.000 0.000 0.242 64 I C 2.651 178.827 176.117 0.099 0.000 1.091 64 I CA 0.811 62.173 61.300 0.104 0.000 1.368 64 I CB -1.410 36.650 38.000 0.101 0.000 1.058 64 I HN -0.076 nan 8.210 nan 0.000 0.410 65 V N 1.176 121.154 119.914 0.106 0.000 2.282 65 V HA -0.303 3.817 4.120 0.000 0.000 0.249 65 V C 2.826 178.967 176.094 0.078 0.000 1.057 65 V CA 2.268 64.617 62.300 0.082 0.000 1.032 65 V CB -1.331 30.533 31.823 0.069 0.000 0.645 65 V HN 0.555 nan 8.190 nan 0.000 0.447 66 S N -0.269 115.479 115.700 0.081 0.000 2.348 66 S HA -0.191 4.279 4.470 0.000 0.000 0.221 66 S C 2.081 176.741 174.600 0.100 0.000 1.033 66 S CA 1.891 60.136 58.200 0.075 0.000 1.010 66 S CB -0.454 62.787 63.200 0.068 0.000 0.891 66 S HN 0.295 nan 8.310 nan 0.000 0.442 67 V N 1.426 121.413 119.914 0.122 0.000 2.332 67 V HA -0.110 4.010 4.120 0.000 0.000 0.248 67 V C 2.365 178.588 176.094 0.214 0.000 1.055 67 V CA 2.145 64.558 62.300 0.188 0.000 1.038 67 V CB -0.572 31.340 31.823 0.149 0.000 0.651 67 V HN 0.652 nan 8.190 nan 0.000 0.450 68 I N 0.120 120.770 120.570 0.133 0.000 2.163 68 I HA -0.182 3.988 4.170 0.000 0.000 0.243 68 I C 2.455 178.645 176.117 0.121 0.000 1.085 68 I CA 1.781 63.152 61.300 0.118 0.000 1.347 68 I CB -0.764 37.284 38.000 0.079 0.000 1.044 68 I HN 0.451 nan 8.210 nan 0.000 0.408 69 G N -0.468 108.388 108.800 0.093 0.000 2.403 69 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 69 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 69 G C 1.498 176.431 174.900 0.055 0.000 1.154 69 G CA 0.535 45.674 45.100 0.066 0.000 0.784 69 G HN 0.436 nan 8.290 nan 0.000 0.538 70 E N -0.835 119.401 120.200 0.060 0.000 2.209 70 E HA -0.172 4.178 4.350 0.000 0.000 0.196 70 E C 1.658 178.153 176.600 -0.174 0.000 0.993 70 E CA 0.985 57.360 56.400 -0.042 0.000 0.819 70 E CB -0.131 29.554 29.700 -0.025 0.000 0.745 70 E HN 0.638 nan 8.360 nan 0.000 0.477 71 Y N -1.257 119.058 120.300 0.025 0.000 2.498 71 Y HA 0.315 4.866 4.550 0.002 0.000 0.259 71 Y C 2.034 177.953 175.900 0.031 0.000 1.086 71 Y CA 0.372 58.489 58.100 0.027 0.000 1.287 71 Y CB 0.142 38.619 38.460 0.028 0.000 1.146 71 Y HN 0.101 nan 8.280 nan 0.000 0.523 72 A N 0.087 123.003 122.820 0.160 0.000 1.948 72 A HA -0.166 4.154 4.320 0.000 0.000 0.220 72 A C 2.299 179.927 177.584 0.073 0.000 1.177 72 A CA 2.045 54.146 52.037 0.105 0.000 0.636 72 A CB -1.198 17.848 19.000 0.077 0.000 0.815 72 A HN 0.430 nan 8.150 nan 0.000 0.449 73 G N -1.688 107.137 108.800 0.042 0.000 3.233 73 G HA2 0.225 4.185 3.960 0.000 0.000 0.234 73 G HA3 0.225 4.185 3.960 0.000 0.000 0.234 73 G C 1.147 176.047 174.900 -0.000 0.000 1.137 73 G CA 0.760 45.871 45.100 0.018 0.000 0.763 73 G HN 0.577 nan 8.290 nan 0.000 0.549 74 K N -1.159 119.238 120.400 -0.005 0.000 2.410 74 K HA 0.308 4.628 4.320 0.000 0.000 0.204 74 K C -0.572 176.053 176.600 0.041 0.000 1.268 74 K CA -0.122 56.147 56.287 -0.031 0.000 0.896 74 K CB 0.447 32.852 32.500 -0.159 0.000 1.401 74 K HN 0.087 nan 8.250 nan 0.000 0.479 75 L N 3.068 124.370 121.223 0.132 0.000 2.441 75 L HA 0.285 4.625 4.340 0.000 0.000 0.270 75 L C -0.710 176.274 176.870 0.189 0.000 0.973 75 L CA -0.318 54.627 54.840 0.175 0.000 0.842 75 L CB 1.680 43.895 42.059 0.260 0.000 1.239 75 L HN 0.451 nan 8.230 nan 0.000 0.406 76 D N 2.247 122.734 120.400 0.144 0.000 3.013 76 D HA 0.098 4.738 4.640 0.000 0.000 0.256 76 D C 0.084 176.495 176.300 0.186 0.000 1.573 76 D CA 0.496 54.590 54.000 0.157 0.000 1.197 76 D CB 0.234 41.122 40.800 0.145 0.000 1.041 76 D HN 0.521 nan 8.370 nan 0.000 0.304 77 H N -0.496 118.624 119.070 0.083 0.000 2.600 77 H HA 0.687 5.243 4.556 0.000 0.000 0.357 77 H C -1.307 174.063 175.328 0.069 0.000 1.106 77 H CA -0.800 55.299 56.048 0.084 0.000 1.193 77 H CB 1.349 31.174 29.762 0.105 0.000 1.594 77 H HN 0.108 nan 8.280 nan 0.000 0.526 78 L N 3.635 124.491 121.223 -0.612 0.000 2.350 78 L HA 0.332 4.673 4.340 0.000 0.000 0.260 78 L C -0.542 176.080 176.870 -0.415 0.000 1.015 78 L CA -1.426 53.177 54.840 -0.396 0.000 0.821 78 L CB 1.614 43.593 42.059 -0.133 0.000 1.370 78 L HN 0.572 nan 8.230 nan 0.000 0.416 79 F N 0.662 120.459 119.950 -0.254 0.000 2.602 79 F HA -0.045 4.482 4.527 -0.000 0.000 0.385 79 F C 1.453 177.176 175.800 -0.127 0.000 1.063 79 F CA 0.346 58.264 58.000 -0.137 0.000 1.233 79 F CB 0.845 39.820 39.000 -0.042 0.000 1.067 79 F HN 0.459 nan 8.300 nan 0.000 0.564 80 S N 3.817 119.010 115.700 -0.845 0.000 2.520 80 S HA -0.116 4.355 4.470 0.000 0.000 0.249 80 S C 1.889 176.156 174.600 -0.554 0.000 0.983 80 S CA 1.163 58.924 58.200 -0.732 0.000 0.958 80 S CB -0.573 62.007 63.200 -1.032 0.000 0.750 80 S HN 0.935 nan 8.310 nan 0.000 0.527 81 G N -0.071 108.294 108.800 -0.724 0.000 3.088 81 G HA2 0.309 4.269 3.960 0.000 0.000 0.217 81 G HA3 0.309 4.269 3.960 0.000 0.000 0.217 81 G C 0.165 175.078 174.900 0.022 0.000 1.159 81 G CA -0.341 44.639 45.100 -0.199 0.000 0.760 81 G HN 0.371 nan 8.290 nan 0.000 0.550 82 M N 1.580 121.188 119.600 0.013 0.000 2.129 82 M HA 0.425 4.905 4.480 0.000 0.000 0.348 82 M C -0.498 175.809 176.300 0.011 0.000 1.116 82 M CA -0.264 55.075 55.300 0.065 0.000 1.022 82 M CB 2.165 34.836 32.600 0.119 0.000 1.599 82 M HN -0.159 nan 8.290 nan 0.000 0.449 83 L N 2.057 123.294 121.223 0.023 0.000 2.421 83 L HA 0.653 4.993 4.340 0.000 0.000 0.263 83 L C 0.405 177.286 176.870 0.019 0.000 1.122 83 L CA -0.335 54.511 54.840 0.011 0.000 0.804 83 L CB 1.502 43.569 42.059 0.012 0.000 1.150 83 L HN 0.840 nan 8.230 nan 0.000 0.457 84 S N 0.596 116.305 115.700 0.014 0.000 2.607 84 S HA 0.452 4.922 4.470 0.000 0.000 0.273 84 S C 0.359 174.973 174.600 0.024 0.000 1.148 84 S CA -0.968 57.248 58.200 0.027 0.000 0.833 84 S CB 1.964 65.184 63.200 0.032 0.000 1.130 84 S HN 0.609 nan 8.310 nan 0.000 0.470 85 R N 0.658 121.182 120.500 0.041 0.000 2.080 85 R HA 0.026 4.366 4.340 0.000 0.000 0.236 85 R C -0.918 175.389 176.300 0.013 0.000 1.137 85 R CA 2.037 58.160 56.100 0.038 0.000 0.943 85 R CB -1.531 28.806 30.300 0.062 0.000 0.846 85 R HN 0.556 nan 8.270 nan 0.000 0.431 86 P HA -0.121 nan 4.420 nan 0.000 0.215 86 P C 1.481 178.747 177.300 -0.057 0.000 1.153 86 P CA 1.115 64.168 63.100 -0.078 0.000 0.853 86 P CB -0.061 31.510 31.700 -0.215 0.000 0.788 87 V N 0.063 119.953 119.914 -0.040 0.000 2.233 87 V HA -0.224 3.896 4.120 0.000 0.000 0.247 87 V C 2.644 178.727 176.094 -0.018 0.000 1.050 87 V CA 2.044 64.327 62.300 -0.029 0.000 1.010 87 V CB -1.367 30.442 31.823 -0.022 0.000 0.637 87 V HN -0.059 nan 8.190 nan 0.000 0.444 88 V N 0.428 120.336 119.914 -0.009 0.000 2.407 88 V HA -0.247 3.873 4.120 0.000 0.000 0.248 88 V C 2.212 178.304 176.094 -0.003 0.000 1.055 88 V CA 2.135 64.433 62.300 -0.004 0.000 1.049 88 V CB -0.804 31.020 31.823 0.002 0.000 0.662 88 V HN 0.596 nan 8.190 nan 0.000 0.455 89 D N -0.285 120.113 120.400 -0.004 0.000 2.144 89 D HA -0.106 4.534 4.640 0.000 0.000 0.200 89 D C 2.078 178.375 176.300 -0.005 0.000 0.978 89 D CA 0.876 54.876 54.000 -0.001 0.000 0.833 89 D CB -0.135 40.666 40.800 0.002 0.000 0.961 89 D HN 0.329 nan 8.370 nan 0.000 0.470 90 L N 0.608 121.823 121.223 -0.013 0.000 2.044 90 L HA -0.095 4.245 4.340 0.000 0.000 0.205 90 L C 2.286 179.155 176.870 -0.001 0.000 1.075 90 L CA 1.090 55.924 54.840 -0.010 0.000 0.747 90 L CB -0.308 41.738 42.059 -0.021 0.000 0.903 90 L HN -0.042 nan 8.230 nan 0.000 0.435 91 A N -0.355 122.462 122.820 -0.005 0.000 1.873 91 A HA -0.269 4.051 4.320 0.000 0.000 0.218 91 A C 2.210 179.794 177.584 -0.001 0.000 1.193 91 A CA 2.669 54.703 52.037 -0.005 0.000 0.629 91 A CB -1.163 17.832 19.000 -0.008 0.000 0.826 91 A HN 0.486 nan 8.150 nan 0.000 0.447 92 T N -0.709 113.845 114.554 0.001 0.000 2.652 92 T HA -0.193 4.157 4.350 0.000 0.000 0.267 92 T C 2.070 176.777 174.700 0.012 0.000 1.039 92 T CA 1.892 63.995 62.100 0.004 0.000 1.153 92 T CB -0.298 68.573 68.868 0.005 0.000 0.863 92 T HN 0.569 nan 8.240 nan 0.000 0.428 93 R N 1.168 121.677 120.500 0.014 0.000 2.112 93 R HA -0.059 4.281 4.340 0.000 0.000 0.242 93 R C 2.299 178.625 176.300 0.043 0.000 1.137 93 R CA 1.602 57.716 56.100 0.024 0.000 0.944 93 R CB -1.067 29.244 30.300 0.018 0.000 0.857 93 R HN 0.409 nan 8.270 nan 0.000 0.435 94 L N -0.189 121.061 121.223 0.044 0.000 2.079 94 L HA -0.169 4.171 4.340 0.000 0.000 0.210 94 L C 2.548 179.445 176.870 0.045 0.000 1.081 94 L CA 1.443 56.322 54.840 0.065 0.000 0.752 94 L CB -0.641 41.439 42.059 0.035 0.000 0.896 94 L HN 0.424 nan 8.230 nan 0.000 0.433 95 A N -0.177 122.654 122.820 0.019 0.000 1.969 95 A HA -0.166 4.154 4.320 0.000 0.000 0.218 95 A C 2.015 179.612 177.584 0.022 0.000 1.169 95 A CA 1.561 53.602 52.037 0.007 0.000 0.635 95 A CB -0.411 18.588 19.000 -0.003 0.000 0.810 95 A HN 0.460 nan 8.150 nan 0.000 0.445 96 N N -0.039 118.680 118.700 0.032 0.000 2.416 96 N HA -0.008 4.733 4.740 0.000 0.000 0.177 96 N C 1.588 177.132 175.510 0.056 0.000 1.036 96 N CA 1.514 54.585 53.050 0.035 0.000 0.901 96 N CB -0.048 38.454 38.487 0.026 0.000 0.976 96 N HN 0.810 nan 8.380 nan 0.000 0.444 97 I N -1.293 119.334 120.570 0.094 0.000 3.941 97 I HA 0.149 4.319 4.170 0.000 0.000 0.321 97 I C 0.383 176.659 176.117 0.265 0.000 1.284 97 I CA -0.073 61.309 61.300 0.136 0.000 1.226 97 I CB 0.040 38.111 38.000 0.118 0.000 1.045 97 I HN -0.203 nan 8.210 nan 0.000 0.420 98 T N -0.076 114.617 114.554 0.233 0.000 2.902 98 T HA 0.525 4.875 4.350 0.000 0.000 0.280 98 T C -2.334 172.423 174.700 0.095 0.000 0.992 98 T CA -1.693 60.522 62.100 0.191 0.000 1.015 98 T CB 0.863 69.692 68.868 -0.066 0.000 1.044 98 T HN -0.076 nan 8.240 nan 0.000 0.520 99 P HA 0.217 nan 4.420 nan 0.000 0.272 99 P C -2.547 174.759 177.300 0.010 0.000 1.243 99 P CA -1.092 62.032 63.100 0.040 0.000 0.803 99 P CB -1.033 30.683 31.700 0.026 0.000 0.974 100 P HA 0.212 nan 4.420 nan 0.000 0.275 100 P C 0.845 178.136 177.300 -0.015 0.000 1.228 100 P CA 0.865 63.963 63.100 -0.003 0.000 0.786 100 P CB 0.247 31.947 31.700 -0.000 0.000 0.927 101 G N 1.352 110.139 108.800 -0.021 0.000 2.232 101 G HA2 -0.178 3.782 3.960 0.000 0.000 0.226 101 G HA3 -0.178 3.782 3.960 0.000 0.000 0.226 101 G C -0.257 174.618 174.900 -0.043 0.000 0.996 101 G CA -0.468 44.614 45.100 -0.030 0.000 0.626 101 G HN 0.449 nan 8.290 nan 0.000 0.509 102 L N 1.907 123.102 121.223 -0.048 0.000 2.277 102 L HA 0.467 4.807 4.340 0.000 0.000 0.284 102 L C 0.062 176.902 176.870 -0.050 0.000 1.028 102 L CA -0.587 54.214 54.840 -0.066 0.000 0.835 102 L CB 1.108 43.109 42.059 -0.097 0.000 1.215 102 L HN 0.134 nan 8.230 nan 0.000 0.425 103 D N 1.959 122.330 120.400 -0.049 0.000 2.482 103 D HA 0.131 4.771 4.640 0.000 0.000 0.251 103 D C 0.432 176.709 176.300 -0.038 0.000 1.073 103 D CA 0.148 54.126 54.000 -0.037 0.000 0.892 103 D CB 1.132 41.913 40.800 -0.032 0.000 1.202 103 D HN 0.426 nan 8.370 nan 0.000 0.496 104 R N 0.782 121.253 120.500 -0.049 0.000 2.670 104 R HA 0.765 5.105 4.340 0.000 0.000 0.289 104 R C -0.876 175.393 176.300 -0.052 0.000 0.965 104 R CA -0.677 55.395 56.100 -0.046 0.000 0.899 104 R CB 2.647 32.918 30.300 -0.047 0.000 1.173 104 R HN -0.078 nan 8.270 nan 0.000 0.456 105 A N 2.396 125.194 122.820 -0.037 0.000 2.380 105 A HA 0.719 5.040 4.320 0.000 0.000 0.315 105 A C -1.525 176.050 177.584 -0.016 0.000 1.101 105 A CA -0.713 51.304 52.037 -0.034 0.000 0.771 105 A CB 1.564 20.547 19.000 -0.027 0.000 1.287 105 A HN 0.581 nan 8.150 nan 0.000 0.436 106 L N 1.813 123.030 121.223 -0.011 0.000 2.381 106 L HA 0.643 4.983 4.340 0.000 0.000 0.274 106 L C -1.476 175.401 176.870 0.013 0.000 0.988 106 L CA -0.272 54.579 54.840 0.019 0.000 0.824 106 L CB 1.429 43.518 42.059 0.051 0.000 1.263 106 L HN 0.619 nan 8.230 nan 0.000 0.410 107 L N 6.521 127.757 121.223 0.022 0.000 2.265 107 L HA 0.479 4.819 4.340 0.000 0.000 0.289 107 L C -0.253 176.642 176.870 0.042 0.000 1.033 107 L CA -0.270 54.582 54.840 0.020 0.000 0.814 107 L CB 1.113 43.177 42.059 0.008 0.000 1.203 107 L HN 0.691 nan 8.230 nan 0.000 0.423 108 L N 1.124 122.376 121.223 0.049 0.000 2.670 108 L HA 0.521 4.861 4.340 0.000 0.000 0.251 108 L C 0.873 177.785 176.870 0.070 0.000 1.548 108 L CA -0.334 54.555 54.840 0.081 0.000 1.643 108 L CB 1.185 43.302 42.059 0.098 0.000 2.174 108 L HN 0.454 nan 8.230 nan 0.000 0.585 109 S N -1.987 113.761 115.700 0.080 0.000 2.663 109 S HA 0.125 4.596 4.470 0.000 0.000 0.247 109 S C 0.024 174.649 174.600 0.042 0.000 1.074 109 S CA 0.238 58.468 58.200 0.051 0.000 0.955 109 S CB 0.871 64.102 63.200 0.051 0.000 0.901 109 S HN 0.810 nan 8.310 nan 0.000 0.505 110 T N -1.880 112.711 114.554 0.062 0.000 2.864 110 T HA 0.630 4.981 4.350 0.000 0.000 0.299 110 T C 1.219 175.959 174.700 0.066 0.000 1.166 110 T CA -0.032 62.104 62.100 0.059 0.000 1.007 110 T CB 1.229 70.135 68.868 0.063 0.000 1.219 110 T HN -0.015 nan 8.240 nan 0.000 0.506 111 G N 0.838 109.683 108.800 0.076 0.000 2.514 111 G HA2 -0.051 3.909 3.960 0.000 0.000 0.217 111 G HA3 -0.051 3.909 3.960 0.000 0.000 0.217 111 G C 1.756 176.712 174.900 0.093 0.000 1.198 111 G CA 1.242 46.397 45.100 0.092 0.000 0.780 111 G HN 1.300 nan 8.290 nan 0.000 0.565 112 A N 0.571 123.454 122.820 0.106 0.000 1.908 112 A HA -0.114 4.206 4.320 0.000 0.000 0.218 112 A C 2.185 179.811 177.584 0.070 0.000 1.181 112 A CA 2.243 54.332 52.037 0.087 0.000 0.627 112 A CB -0.584 18.462 19.000 0.078 0.000 0.818 112 A HN 0.543 nan 8.150 nan 0.000 0.445 113 E N 0.324 120.577 120.200 0.089 0.000 2.058 113 E HA -0.215 4.135 4.350 0.000 0.000 0.194 113 E C 2.249 178.851 176.600 0.003 0.000 0.997 113 E CA 1.881 58.355 56.400 0.123 0.000 0.801 113 E CB -0.148 29.647 29.700 0.158 0.000 0.746 113 E HN 0.778 nan 8.360 nan 0.000 0.450 114 S N 0.707 116.401 115.700 -0.009 0.000 2.356 114 S HA -0.162 4.309 4.470 0.000 0.000 0.223 114 S C 1.756 176.295 174.600 -0.102 0.000 1.032 114 S CA 1.248 59.405 58.200 -0.071 0.000 1.005 114 S CB -0.520 62.666 63.200 -0.022 0.000 0.867 114 S HN 0.264 nan 8.310 nan 0.000 0.449 115 N N 1.826 120.501 118.700 -0.042 0.000 2.223 115 N HA -0.048 4.692 4.740 0.000 0.000 0.185 115 N C 1.752 177.210 175.510 -0.087 0.000 1.016 115 N CA 1.297 54.311 53.050 -0.060 0.000 0.863 115 N CB -0.415 38.054 38.487 -0.030 0.000 0.983 115 N HN 0.615 nan 8.380 nan 0.000 0.429 116 E N 1.112 121.271 120.200 -0.068 0.000 2.077 116 E HA -0.076 4.274 4.350 0.000 0.000 0.193 116 E C 1.932 178.436 176.600 -0.159 0.000 0.989 116 E CA 0.908 57.285 56.400 -0.038 0.000 0.800 116 E CB -0.129 29.633 29.700 0.104 0.000 0.746 116 E HN 0.328 nan 8.360 nan 0.000 0.452 117 A N 1.675 124.188 122.820 -0.512 0.000 1.933 117 A HA -0.103 4.217 4.320 0.000 0.000 0.218 117 A C 2.414 179.867 177.584 -0.218 0.000 1.175 117 A CA 1.868 53.448 52.037 -0.762 0.000 0.628 117 A CB -0.513 17.789 19.000 -1.164 0.000 0.814 117 A HN 0.278 nan 8.150 nan 0.000 0.444 118 A N -0.043 122.663 122.820 -0.191 0.000 1.858 118 A HA -0.079 4.241 4.320 0.000 0.000 0.216 118 A C 2.119 179.655 177.584 -0.080 0.000 1.190 118 A CA 1.525 53.483 52.037 -0.131 0.000 0.617 118 A CB -0.678 18.251 19.000 -0.119 0.000 0.827 118 A HN 0.455 nan 8.150 nan 0.000 0.443 119 I N -0.659 119.871 120.570 -0.068 0.000 2.151 119 I HA -0.308 3.862 4.170 0.000 0.000 0.243 119 I C 2.744 178.876 176.117 0.025 0.000 1.080 119 I CA 1.889 63.169 61.300 -0.033 0.000 1.339 119 I CB -0.256 37.721 38.000 -0.038 0.000 1.039 119 I HN 0.405 nan 8.210 nan 0.000 0.409 120 R N 0.878 121.422 120.500 0.073 0.000 2.073 120 R HA -0.242 4.098 4.340 0.000 0.000 0.234 120 R C 2.411 178.842 176.300 0.219 0.000 1.134 120 R CA 2.007 58.210 56.100 0.171 0.000 0.952 120 R CB -0.341 30.114 30.300 0.259 0.000 0.850 120 R HN 0.324 nan 8.270 nan 0.000 0.433 121 M N 0.264 119.986 119.600 0.203 0.000 2.108 121 M HA -0.152 4.328 4.480 0.000 0.000 0.261 121 M C 2.138 178.427 176.300 -0.019 0.000 1.066 121 M CA 2.047 57.341 55.300 -0.009 0.000 1.107 121 M CB -0.162 32.186 32.600 -0.420 0.000 1.356 121 M HN 0.306 nan 8.290 nan 0.000 0.406 122 A N 0.790 123.599 122.820 -0.018 0.000 1.865 122 A HA -0.230 4.090 4.320 0.000 0.000 0.217 122 A C 2.051 179.648 177.584 0.022 0.000 1.191 122 A CA 2.235 54.265 52.037 -0.012 0.000 0.623 122 A CB -0.688 18.303 19.000 -0.016 0.000 0.826 122 A HN 0.597 nan 8.150 nan 0.000 0.444 123 K N -0.979 119.451 120.400 0.050 0.000 2.063 123 K HA -0.127 4.193 4.320 0.000 0.000 0.208 123 K C 1.928 178.576 176.600 0.079 0.000 1.048 123 K CA 1.377 57.709 56.287 0.075 0.000 0.928 123 K CB -0.378 32.181 32.500 0.099 0.000 0.713 123 K HN 0.394 nan 8.250 nan 0.000 0.442 124 L N 0.875 122.155 121.223 0.094 0.000 1.961 124 L HA -0.190 4.150 4.340 0.000 0.000 0.210 124 L C 2.031 178.938 176.870 0.063 0.000 1.072 124 L CA 1.616 56.515 54.840 0.099 0.000 0.749 124 L CB -0.639 41.519 42.059 0.165 0.000 0.889 124 L HN -0.074 nan 8.230 nan 0.000 0.432 125 V N -0.099 119.838 119.914 0.039 0.000 2.282 125 V HA -0.360 3.760 4.120 0.000 0.000 0.249 125 V C 2.649 178.753 176.094 0.016 0.000 1.057 125 V CA 2.448 64.757 62.300 0.015 0.000 1.032 125 V CB -1.510 30.304 31.823 -0.014 0.000 0.645 125 V HN 0.809 nan 8.190 nan 0.000 0.447 126 T N -3.028 111.537 114.554 0.019 0.000 3.014 126 T HA 0.233 4.583 4.350 0.000 0.000 0.263 126 T C 1.648 176.365 174.700 0.028 0.000 1.078 126 T CA 1.153 63.263 62.100 0.017 0.000 1.135 126 T CB 0.370 69.245 68.868 0.012 0.000 0.895 126 T HN 1.124 nan 8.240 nan 0.000 0.480 127 G N 1.015 109.842 108.800 0.045 0.000 2.157 127 G HA2 -0.221 3.740 3.960 0.000 0.000 0.248 127 G HA3 -0.221 3.740 3.960 0.000 0.000 0.248 127 G C -0.022 174.928 174.900 0.082 0.000 0.979 127 G CA 0.407 45.542 45.100 0.059 0.000 0.650 127 G HN 0.724 nan 8.290 nan 0.000 0.529 128 K N -1.624 118.818 120.400 0.069 0.000 2.303 128 K HA 0.776 5.096 4.320 0.000 0.000 0.233 128 K C 0.461 177.132 176.600 0.117 0.000 1.046 128 K CA -0.441 55.877 56.287 0.052 0.000 0.895 128 K CB 0.817 33.287 32.500 -0.049 0.000 1.220 128 K HN 0.452 nan 8.250 nan 0.000 0.470 129 Y N -2.441 117.871 120.300 0.021 0.000 2.648 129 Y HA 0.422 4.973 4.550 0.000 0.000 0.270 129 Y C -0.548 175.346 175.900 -0.010 0.000 1.043 129 Y CA -0.708 57.394 58.100 0.003 0.000 1.238 129 Y CB 0.165 38.622 38.460 -0.006 0.000 1.385 129 Y HN 0.335 nan 8.280 nan 0.000 0.569 130 E N 2.842 122.819 120.200 -0.372 0.000 2.338 130 E HA 0.366 4.716 4.350 0.000 0.000 0.272 130 E C -0.653 175.920 176.600 -0.046 0.000 1.029 130 E CA -0.219 56.070 56.400 -0.184 0.000 0.872 130 E CB 1.219 30.834 29.700 -0.141 0.000 1.015 130 E HN 0.189 nan 8.360 nan 0.000 0.417 131 I N 3.387 123.930 120.570 -0.046 0.000 2.447 131 I HA 0.262 4.432 4.170 0.000 0.000 0.287 131 I C -0.408 175.656 176.117 -0.088 0.000 1.023 131 I CA -0.781 60.484 61.300 -0.060 0.000 1.083 131 I CB 1.380 39.333 38.000 -0.078 0.000 1.245 131 I HN 0.239 nan 8.210 nan 0.000 0.434 132 V N 4.848 124.652 119.914 -0.184 0.000 2.532 132 V HA 0.927 5.047 4.120 0.000 0.000 0.295 132 V C 0.577 176.127 176.094 -0.908 0.000 1.041 132 V CA -0.313 61.754 62.300 -0.388 0.000 0.926 132 V CB 1.728 33.348 31.823 -0.339 0.000 0.992 132 V HN 0.981 nan 8.190 nan 0.000 0.457 133 G N 1.581 109.923 108.800 -0.763 0.000 2.866 133 G HA2 0.694 4.655 3.960 0.000 0.000 0.289 133 G HA3 0.694 4.655 3.960 0.000 0.000 0.289 133 G C -1.428 173.148 174.900 -0.541 0.000 1.396 133 G CA -0.785 43.870 45.100 -0.741 0.000 0.848 133 G HN 0.406 nan 8.290 nan 0.000 0.515 134 F N 0.445 120.387 119.950 -0.012 0.000 2.375 134 F HA 0.443 4.970 4.527 0.000 0.000 0.333 134 F C 1.658 177.419 175.800 -0.064 0.000 1.104 134 F CA -0.284 57.736 58.000 0.034 0.000 1.149 134 F CB 2.045 41.132 39.000 0.145 0.000 1.190 134 F HN 0.514 nan 8.300 nan 0.000 0.533 135 A N 1.928 124.817 122.820 0.115 0.000 2.216 135 A HA -0.108 4.213 4.320 0.000 0.000 0.214 135 A C 1.259 178.935 177.584 0.153 0.000 1.160 135 A CA 1.036 53.074 52.037 0.002 0.000 0.725 135 A CB -0.460 18.536 19.000 -0.006 0.000 0.784 135 A HN 0.853 nan 8.150 nan 0.000 0.472 136 Q N 0.003 119.911 119.800 0.180 0.000 2.155 136 Q HA 0.166 4.506 4.340 0.000 0.000 0.220 136 Q C 0.394 176.496 176.000 0.170 0.000 0.819 136 Q CA 0.289 56.171 55.803 0.133 0.000 1.032 136 Q CB 0.783 29.529 28.738 0.014 0.000 1.151 136 Q HN 0.605 nan 8.270 nan 0.000 0.487 137 S N -0.296 115.555 115.700 0.252 0.000 2.600 137 S HA 0.364 4.834 4.470 0.000 0.000 0.265 137 S C -0.632 174.017 174.600 0.081 0.000 1.325 137 S CA -0.587 57.718 58.200 0.173 0.000 1.002 137 S CB 0.995 64.363 63.200 0.280 0.000 0.921 137 S HN 0.433 nan 8.310 nan 0.000 0.554 138 W N 2.296 123.367 121.300 -0.381 0.000 2.934 138 W HA 0.354 5.014 4.660 0.000 0.000 0.333 138 W C -1.093 175.095 176.519 -0.553 0.000 1.035 138 W CA -0.500 56.648 57.345 -0.327 0.000 1.256 138 W CB 0.820 30.188 29.460 -0.154 0.000 1.306 138 W HN 0.986 nan 8.180 nan 0.000 0.430 139 H N 2.929 121.951 119.070 -0.079 0.000 3.170 139 H HA 0.369 4.925 4.556 0.000 0.000 0.264 139 H C 1.024 176.337 175.328 -0.024 0.000 1.113 139 H CA 0.752 56.818 56.048 0.030 0.000 1.194 139 H CB 1.864 31.619 29.762 -0.012 0.000 1.553 139 H HN 0.497 nan 8.280 nan 0.000 0.538 140 G N 0.386 109.058 108.800 -0.214 0.000 2.347 140 G HA2 -0.038 3.922 3.960 0.000 0.000 0.321 140 G HA3 -0.038 3.922 3.960 0.000 0.000 0.321 140 G C 0.205 174.971 174.900 -0.224 0.000 1.412 140 G CA -0.525 44.547 45.100 -0.047 0.000 0.990 140 G HN -0.073 nan 8.290 nan 0.000 0.637 141 M N 0.603 120.163 119.600 -0.067 0.000 2.510 141 M HA 0.125 4.605 4.480 0.000 0.000 0.256 141 M C 1.778 178.034 176.300 -0.072 0.000 1.132 141 M CA 1.278 56.520 55.300 -0.095 0.000 1.105 141 M CB -0.704 31.896 32.600 0.000 0.000 1.375 141 M HN 0.859 nan 8.290 nan 0.000 0.477 142 T N -1.435 113.098 114.554 -0.035 0.000 2.828 142 T HA 0.482 4.833 4.350 0.000 0.000 0.290 142 T C 1.484 176.157 174.700 -0.045 0.000 1.019 142 T CA -0.119 61.969 62.100 -0.021 0.000 1.031 142 T CB 1.303 70.182 68.868 0.019 0.000 1.001 142 T HN 0.341 nan 8.240 nan 0.000 0.531 143 G N 1.455 110.235 108.800 -0.034 0.000 3.628 143 G HA2 -0.279 3.681 3.960 0.000 0.000 0.237 143 G HA3 -0.279 3.681 3.960 0.000 0.000 0.237 143 G C 1.730 176.593 174.900 -0.062 0.000 0.968 143 G CA 1.920 46.994 45.100 -0.045 0.000 0.734 143 G HN 1.419 nan 8.290 nan 0.000 1.273 144 A N 0.259 123.057 122.820 -0.036 0.000 1.940 144 A HA 0.160 4.480 4.320 0.000 0.000 0.219 144 A C 2.916 180.456 177.584 -0.073 0.000 1.176 144 A CA 2.969 54.977 52.037 -0.049 0.000 0.631 144 A CB -0.995 17.994 19.000 -0.018 0.000 0.814 144 A HN 1.485 nan 8.150 nan 0.000 0.446 145 A N -0.109 122.679 122.820 -0.054 0.000 1.883 145 A HA 0.096 4.416 4.320 0.000 0.000 0.217 145 A C 2.528 180.038 177.584 -0.123 0.000 1.186 145 A CA 2.349 54.354 52.037 -0.053 0.000 0.624 145 A CB -1.117 17.874 19.000 -0.015 0.000 0.822 145 A HN 1.169 nan 8.150 nan 0.000 0.444 146 A N -0.851 121.868 122.820 -0.169 0.000 1.972 146 A HA -0.035 4.285 4.320 0.000 0.000 0.219 146 A C 2.358 179.760 177.584 -0.303 0.000 1.169 146 A CA 1.932 53.811 52.037 -0.263 0.000 0.635 146 A CB -0.716 18.148 19.000 -0.225 0.000 0.810 146 A HN 0.446 nan 8.150 nan 0.000 0.446 147 S N -0.536 115.018 115.700 -0.244 0.000 2.447 147 S HA 0.099 4.569 4.470 0.000 0.000 0.233 147 S C 1.860 176.204 174.600 -0.426 0.000 1.006 147 S CA 0.869 58.893 58.200 -0.293 0.000 0.957 147 S CB -0.149 62.942 63.200 -0.182 0.000 0.773 147 S HN 0.763 nan 8.310 nan 0.000 0.507 148 A N 0.717 123.365 122.820 -0.286 0.000 2.275 148 A HA 0.259 4.579 4.320 0.000 0.000 0.212 148 A C 0.785 178.316 177.584 -0.087 0.000 1.201 148 A CA 0.073 52.036 52.037 -0.122 0.000 0.843 148 A CB 0.052 19.029 19.000 -0.039 0.000 0.873 148 A HN 0.283 nan 8.150 nan 0.000 0.492 149 T N 0.086 114.419 114.554 -0.368 0.000 2.733 149 T HA 0.410 4.760 4.350 0.000 0.000 0.294 149 T C -0.207 174.237 174.700 -0.427 0.000 0.956 149 T CA 0.169 62.088 62.100 -0.302 0.000 0.987 149 T CB 0.180 68.737 68.868 -0.517 0.000 0.920 149 T HN 0.348 nan 8.240 nan 0.000 0.470 150 Y N 0.617 120.896 120.300 -0.034 0.000 2.500 150 Y HA 0.149 4.699 4.550 0.000 0.000 0.246 150 Y C 2.393 178.307 175.900 0.023 0.000 1.146 150 Y CA -0.527 57.569 58.100 -0.006 0.000 1.230 150 Y CB 0.100 38.575 38.460 0.026 0.000 1.214 150 Y HN 0.673 nan 8.280 nan 0.000 0.526 151 S N -0.211 115.587 115.700 0.163 0.000 2.436 151 S HA 0.470 4.940 4.470 0.000 0.000 0.228 151 S C 0.935 175.623 174.600 0.147 0.000 1.014 151 S CA 0.447 58.752 58.200 0.174 0.000 0.950 151 S CB 0.098 63.434 63.200 0.228 0.000 0.784 151 S HN 0.210 nan 8.310 nan 0.000 0.504 152 A N -1.239 121.631 122.820 0.084 0.000 2.586 152 A HA 0.663 4.983 4.320 0.000 0.000 0.290 152 A C 0.680 178.213 177.584 -0.086 0.000 1.086 152 A CA -0.216 51.853 52.037 0.054 0.000 0.665 152 A CB -0.028 19.091 19.000 0.198 0.000 1.279 152 A HN 1.457 nan 8.150 nan 0.000 0.423 153 G N -0.432 108.338 108.800 -0.049 0.000 2.155 153 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 153 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 153 G C 0.822 175.657 174.900 -0.107 0.000 0.983 153 G CA 0.956 46.003 45.100 -0.089 0.000 0.676 153 G HN 0.850 nan 8.290 nan 0.000 0.528 154 R N -0.335 120.111 120.500 -0.091 0.000 2.153 154 R HA 0.066 4.406 4.340 0.000 0.000 0.218 154 R C 1.195 177.462 176.300 -0.055 0.000 1.072 154 R CA 1.004 57.048 56.100 -0.093 0.000 0.990 154 R CB 0.005 30.263 30.300 -0.070 0.000 0.889 154 R HN 0.372 nan 8.270 nan 0.000 0.452 155 K N -0.806 119.575 120.400 -0.031 0.000 2.098 155 K HA 0.248 4.568 4.320 0.000 0.000 0.257 155 K C 0.680 177.268 176.600 -0.019 0.000 0.999 155 K CA 0.533 56.810 56.287 -0.018 0.000 0.924 155 K CB 1.023 33.521 32.500 -0.004 0.000 1.028 155 K HN 0.158 nan 8.250 nan 0.000 0.466 156 G N -0.083 108.708 108.800 -0.014 0.000 2.180 156 G HA2 -0.261 3.699 3.960 0.000 0.000 0.263 156 G HA3 -0.261 3.699 3.960 0.000 0.000 0.263 156 G C 0.356 175.246 174.900 -0.016 0.000 0.989 156 G CA 0.796 45.889 45.100 -0.012 0.000 0.692 156 G HN 0.642 nan 8.290 nan 0.000 0.526 157 V N -3.372 116.527 119.914 -0.025 0.000 3.078 157 V HA 0.714 4.834 4.120 0.000 0.000 0.344 157 V C 1.104 177.178 176.094 -0.033 0.000 1.409 157 V CA 0.393 62.675 62.300 -0.029 0.000 1.146 157 V CB -0.060 31.741 31.823 -0.037 0.000 1.126 157 V HN 2.234 nan 8.190 nan 0.000 0.513 158 G N 1.154 109.936 108.800 -0.029 0.000 2.756 158 G HA2 -0.063 3.897 3.960 0.000 0.000 0.678 158 G HA3 -0.063 3.897 3.960 0.000 0.000 0.678 158 G C -2.215 172.661 174.900 -0.039 0.000 1.349 158 G CA -0.445 44.637 45.100 -0.030 0.000 0.847 158 G HN 0.559 nan 8.290 nan 0.000 0.548 159 P HA 0.448 nan 4.420 nan 0.000 0.266 159 P C 0.637 177.901 177.300 -0.059 0.000 1.186 159 P CA 0.752 63.827 63.100 -0.042 0.000 0.767 159 P CB 0.308 31.985 31.700 -0.038 0.000 0.820 160 A N 2.256 125.036 122.820 -0.068 0.000 2.250 160 A HA 0.626 4.946 4.320 0.000 0.000 0.283 160 A C 0.244 177.776 177.584 -0.087 0.000 1.206 160 A CA -0.049 51.931 52.037 -0.094 0.000 0.840 160 A CB -0.256 18.676 19.000 -0.115 0.000 1.220 160 A HN 0.620 nan 8.150 nan 0.000 0.505 161 A N -0.628 122.133 122.820 -0.098 0.000 2.462 161 A HA 0.477 4.797 4.320 0.000 0.000 0.243 161 A C 0.258 177.790 177.584 -0.086 0.000 1.076 161 A CA -0.279 51.707 52.037 -0.085 0.000 0.773 161 A CB -0.332 18.621 19.000 -0.077 0.000 1.010 161 A HN 1.044 nan 8.150 nan 0.000 0.493 162 V N 1.920 121.786 119.914 -0.079 0.000 2.617 162 V HA 0.379 4.500 4.120 0.000 0.000 0.304 162 V C 1.520 177.620 176.094 0.010 0.000 1.040 162 V CA 1.774 64.035 62.300 -0.065 0.000 1.149 162 V CB 0.212 31.960 31.823 -0.124 0.000 0.914 162 V HN 1.988 nan 8.190 nan 0.000 0.487 163 G N 3.695 112.460 108.800 -0.057 0.000 2.132 163 G HA2 -0.212 3.748 3.960 0.000 0.000 0.228 163 G HA3 -0.212 3.748 3.960 0.000 0.000 0.228 163 G C 0.198 174.744 174.900 -0.590 0.000 1.000 163 G CA 0.078 45.059 45.100 -0.198 0.000 0.693 163 G HN 0.741 nan 8.290 nan 0.000 0.515 164 S N -0.062 115.289 115.700 -0.582 0.000 2.430 164 S HA 0.777 5.247 4.470 0.000 0.000 0.289 164 S C -0.163 174.088 174.600 -0.583 0.000 1.143 164 S CA -0.208 57.737 58.200 -0.425 0.000 1.067 164 S CB 0.374 63.482 63.200 -0.153 0.000 0.964 164 S HN 0.346 nan 8.310 nan 0.000 0.485 165 F N 1.235 121.193 119.950 0.014 0.000 2.611 165 F HA 0.824 5.351 4.527 0.000 0.000 0.324 165 F C 0.259 175.898 175.800 -0.268 0.000 1.061 165 F CA -1.088 56.855 58.000 -0.096 0.000 0.954 165 F CB 1.771 40.687 39.000 -0.139 0.000 1.301 165 F HN 0.549 nan 8.300 nan 0.000 0.482 166 A N 1.514 124.240 122.820 -0.155 0.000 2.539 166 A HA 0.888 5.208 4.320 0.000 0.000 0.296 166 A C -1.365 176.088 177.584 -0.218 0.000 1.073 166 A CA -0.692 51.081 52.037 -0.440 0.000 0.700 166 A CB 1.700 20.111 19.000 -0.981 0.000 1.296 166 A HN 0.803 nan 8.150 nan 0.000 0.405 167 I N -1.425 119.078 120.570 -0.111 0.000 2.892 167 I HA 0.789 4.960 4.170 0.000 0.000 0.306 167 I C -2.978 173.263 176.117 0.207 0.000 1.078 167 I CA -3.024 58.305 61.300 0.049 0.000 1.032 167 I CB 2.428 40.485 38.000 0.096 0.000 1.229 167 I HN 0.252 nan 8.210 nan 0.000 0.435 168 P HA 0.261 nan 4.420 nan 0.000 0.275 168 P C -0.781 176.634 177.300 0.191 0.000 1.228 168 P CA -0.146 63.059 63.100 0.175 0.000 0.786 168 P CB 0.955 32.747 31.700 0.152 0.000 0.927 169 A N 4.315 127.134 122.820 -0.002 0.000 2.293 169 A HA 0.600 4.920 4.320 0.000 0.000 0.302 169 A C -2.262 175.172 177.584 -0.249 0.000 1.119 169 A CA -1.678 50.098 52.037 -0.435 0.000 0.823 169 A CB -0.617 17.999 19.000 -0.640 0.000 1.097 169 A HN 0.390 nan 8.150 nan 0.000 0.491 170 P HA 0.224 nan 4.420 nan 0.000 0.276 170 P C -1.164 176.148 177.300 0.020 0.000 1.253 170 P CA 0.279 63.265 63.100 -0.190 0.000 0.766 170 P CB 0.116 31.401 31.700 -0.693 0.000 0.845 171 F N 4.161 124.131 119.950 0.033 0.000 2.564 171 F HA 0.181 4.708 4.527 0.000 0.000 0.368 171 F C 1.364 177.176 175.800 0.019 0.000 1.127 171 F CA -1.060 56.935 58.000 -0.008 0.000 1.170 171 F CB 0.229 39.207 39.000 -0.038 0.000 1.397 171 F HN 0.244 nan 8.300 nan 0.000 0.493 172 T N 1.371 116.092 114.554 0.278 0.000 2.721 172 T HA -0.309 4.041 4.350 0.000 0.000 0.268 172 T C 1.764 176.403 174.700 -0.101 0.000 1.038 172 T CA 1.844 64.041 62.100 0.163 0.000 1.145 172 T CB -0.843 68.175 68.868 0.251 0.000 0.858 172 T HN 0.540 nan 8.240 nan 0.000 0.459 173 Y N 2.987 123.024 120.300 -0.439 0.000 2.145 173 Y HA 0.112 4.662 4.550 0.000 0.000 0.286 173 Y C 1.321 176.827 175.900 -0.658 0.000 1.145 173 Y CA 0.798 58.580 58.100 -0.530 0.000 1.148 173 Y CB -0.075 38.089 38.460 -0.493 0.000 0.981 173 Y HN 0.167 nan 8.280 nan 0.000 0.507 174 R N 1.167 120.984 120.500 -1.139 0.000 2.505 174 R HA 0.279 4.620 4.340 0.000 0.000 0.284 174 R C -2.712 173.222 176.300 -0.610 0.000 1.324 174 R CA -2.041 53.574 56.100 -0.808 0.000 1.432 174 R CB 0.566 30.475 30.300 -0.652 0.000 1.107 174 R HN 0.114 nan 8.270 nan 0.000 0.587 175 P HA 0.151 nan 4.420 nan 0.000 0.275 175 P C -0.190 176.849 177.300 -0.434 0.000 1.228 175 P CA -0.350 62.262 63.100 -0.813 0.000 0.786 175 P CB 1.134 32.299 31.700 -0.892 0.000 0.927 176 R N 0.341 120.667 120.500 -0.290 0.000 2.539 176 R HA 0.282 4.622 4.340 0.000 0.000 0.342 176 R C -0.536 175.840 176.300 0.127 0.000 0.941 176 R CA -0.116 55.958 56.100 -0.043 0.000 1.146 176 R CB 0.448 30.758 30.300 0.017 0.000 1.541 176 R HN 0.356 nan 8.270 nan 0.000 0.525 177 F N 2.699 122.708 119.950 0.097 0.000 2.460 177 F HA 0.271 4.798 4.527 0.000 0.000 0.341 177 F C -0.572 175.339 175.800 0.185 0.000 1.130 177 F CA -0.853 57.226 58.000 0.132 0.000 0.962 177 F CB 1.207 40.324 39.000 0.195 0.000 1.171 177 F HN -0.054 nan 8.300 nan 0.000 0.436 178 E N 5.056 125.128 120.200 -0.213 0.000 2.256 178 E HA 0.717 5.067 4.350 0.000 0.000 0.267 178 E C -1.389 175.096 176.600 -0.192 0.000 0.892 178 E CA -1.190 55.154 56.400 -0.093 0.000 0.775 178 E CB 2.371 32.045 29.700 -0.042 0.000 1.207 178 E HN 0.600 nan 8.360 nan 0.000 0.420 179 R N 1.867 122.328 120.500 -0.066 0.000 2.533 179 R HA 0.271 4.611 4.340 0.000 0.000 0.288 179 R C -0.977 175.300 176.300 -0.038 0.000 1.039 179 R CA -0.811 55.254 56.100 -0.059 0.000 0.909 179 R CB 1.390 31.683 30.300 -0.010 0.000 1.195 179 R HN 0.901 nan 8.270 nan 0.000 0.438 180 N N 1.667 120.342 118.700 -0.042 0.000 2.650 180 N HA -0.243 4.497 4.740 0.000 0.000 0.272 180 N C 0.481 175.974 175.510 -0.028 0.000 1.058 180 N CA 0.929 53.960 53.050 -0.032 0.000 0.765 180 N CB -1.065 37.407 38.487 -0.025 0.000 0.902 180 N HN 1.112 nan 8.380 nan 0.000 0.551 181 G N -1.800 106.980 108.800 -0.034 0.000 2.244 181 G HA2 -0.074 3.886 3.960 0.000 0.000 0.274 181 G HA3 -0.074 3.886 3.960 0.000 0.000 0.274 181 G C 0.228 175.122 174.900 -0.011 0.000 1.002 181 G CA 1.136 46.220 45.100 -0.027 0.000 0.740 181 G HN 1.527 nan 8.290 nan 0.000 0.516 182 A N -1.411 121.409 122.820 -0.001 0.000 2.556 182 A HA 0.647 4.967 4.320 0.000 0.000 0.294 182 A C -0.573 177.064 177.584 0.088 0.000 1.091 182 A CA -0.742 51.314 52.037 0.032 0.000 0.704 182 A CB 1.073 20.078 19.000 0.008 0.000 1.300 182 A HN 1.221 nan 8.150 nan 0.000 0.406 183 Y N 1.783 122.071 120.300 -0.020 0.000 2.650 183 Y HA 0.329 4.879 4.550 0.000 0.000 0.342 183 Y C -0.206 175.679 175.900 -0.025 0.000 1.110 183 Y CA -0.167 57.945 58.100 0.019 0.000 1.438 183 Y CB 0.412 38.898 38.460 0.044 0.000 1.181 183 Y HN 0.583 nan 8.280 nan 0.000 0.526 184 D N 6.119 126.423 120.400 -0.160 0.000 2.514 184 D HA 0.014 4.655 4.640 0.000 0.000 0.267 184 D C 0.601 176.683 176.300 -0.363 0.000 1.165 184 D CA -0.508 53.310 54.000 -0.303 0.000 0.958 184 D CB -0.351 40.418 40.800 -0.051 0.000 0.992 184 D HN 0.578 nan 8.370 nan 0.000 0.506 185 Y N 1.042 120.940 120.300 -0.671 0.000 2.365 185 Y HA -0.139 4.412 4.550 0.000 0.000 0.287 185 Y C 1.124 176.974 175.900 -0.083 0.000 1.162 185 Y CA 0.464 58.267 58.100 -0.495 0.000 1.260 185 Y CB -0.575 37.557 38.460 -0.547 0.000 0.976 185 Y HN 0.210 nan 8.280 nan 0.000 0.548 186 L N 0.996 122.286 121.223 0.112 0.000 2.049 186 L HA 0.098 4.438 4.340 0.000 0.000 0.203 186 L C 2.764 179.663 176.870 0.048 0.000 1.074 186 L CA 1.410 56.335 54.840 0.142 0.000 0.749 186 L CB -1.795 40.297 42.059 0.055 0.000 0.907 186 L HN 0.365 nan 8.230 nan 0.000 0.439 187 A N -0.779 122.054 122.820 0.022 0.000 1.948 187 A HA -0.287 4.033 4.320 0.000 0.000 0.220 187 A C 2.315 179.809 177.584 -0.150 0.000 1.177 187 A CA 2.010 54.092 52.037 0.075 0.000 0.636 187 A CB -0.607 18.551 19.000 0.263 0.000 0.815 187 A HN 0.516 nan 8.150 nan 0.000 0.449 188 E N -0.524 119.418 120.200 -0.429 0.000 2.077 188 E HA -0.172 4.179 4.350 0.000 0.000 0.193 188 E C 1.986 178.459 176.600 -0.212 0.000 0.989 188 E CA 0.986 56.870 56.400 -0.860 0.000 0.800 188 E CB -0.188 29.267 29.700 -0.408 0.000 0.746 188 E HN 0.622 nan 8.360 nan 0.000 0.452 189 L N 1.072 122.316 121.223 0.035 0.000 2.012 189 L HA -0.231 4.109 4.340 0.000 0.000 0.210 189 L C 1.899 178.869 176.870 0.166 0.000 1.073 189 L CA 1.693 56.632 54.840 0.164 0.000 0.748 189 L CB -0.403 41.729 42.059 0.121 0.000 0.891 189 L HN 0.209 nan 8.230 nan 0.000 0.431 190 D N -1.131 119.331 120.400 0.103 0.000 2.117 190 D HA -0.259 4.381 4.640 0.000 0.000 0.197 190 D C 1.846 178.239 176.300 0.154 0.000 0.987 190 D CA 1.328 55.399 54.000 0.118 0.000 0.829 190 D CB -0.259 40.595 40.800 0.089 0.000 0.961 190 D HN 0.389 nan 8.370 nan 0.000 0.460 191 Y N 1.679 121.968 120.300 -0.020 0.000 2.145 191 Y HA -0.167 4.383 4.550 0.000 0.000 0.286 191 Y C 2.321 178.223 175.900 0.004 0.000 1.145 191 Y CA 1.740 59.840 58.100 -0.000 0.000 1.148 191 Y CB -0.429 37.966 38.460 -0.108 0.000 0.981 191 Y HN -0.054 nan 8.280 nan 0.000 0.507 192 A N -0.264 122.596 122.820 0.068 0.000 1.883 192 A HA -0.224 4.096 4.320 0.000 0.000 0.217 192 A C 2.180 179.693 177.584 -0.118 0.000 1.186 192 A CA 1.858 53.873 52.037 -0.036 0.000 0.624 192 A CB -1.549 17.473 19.000 0.036 0.000 0.822 192 A HN 0.559 nan 8.150 nan 0.000 0.444 193 F N -0.085 119.836 119.950 -0.047 0.000 2.293 193 F HA -0.120 4.407 4.527 0.000 0.000 0.300 193 F C 2.054 177.789 175.800 -0.108 0.000 1.086 193 F CA 1.537 59.499 58.000 -0.064 0.000 1.375 193 F CB -0.135 38.837 39.000 -0.047 0.000 1.045 193 F HN 0.419 nan 8.300 nan 0.000 0.516 194 D N -0.033 120.394 120.400 0.045 0.000 2.117 194 D HA -0.198 4.442 4.640 0.000 0.000 0.197 194 D C 2.194 178.427 176.300 -0.111 0.000 0.987 194 D CA 0.959 54.940 54.000 -0.031 0.000 0.829 194 D CB -0.111 40.651 40.800 -0.063 0.000 0.961 194 D HN 0.072 nan 8.370 nan 0.000 0.460 195 L N 0.716 121.820 121.223 -0.199 0.000 1.970 195 L HA -0.142 4.198 4.340 0.000 0.000 0.212 195 L C 2.135 178.853 176.870 -0.253 0.000 1.071 195 L CA 1.510 56.212 54.840 -0.230 0.000 0.751 195 L CB -1.131 40.767 42.059 -0.268 0.000 0.889 195 L HN 0.220 nan 8.230 nan 0.000 0.432 196 I N 0.177 120.566 120.570 -0.303 0.000 2.113 196 I HA -0.363 3.807 4.170 0.000 0.000 0.242 196 I C 2.338 178.255 176.117 -0.334 0.000 1.064 196 I CA 1.757 62.789 61.300 -0.447 0.000 1.320 196 I CB -1.345 36.404 38.000 -0.418 0.000 1.028 196 I HN 0.336 nan 8.210 nan 0.000 0.406 197 D N 0.397 120.715 120.400 -0.137 0.000 2.158 197 D HA -0.188 4.452 4.640 0.000 0.000 0.197 197 D C 2.348 178.585 176.300 -0.107 0.000 0.995 197 D CA 1.160 55.116 54.000 -0.074 0.000 0.846 197 D CB -0.199 40.597 40.800 -0.007 0.000 0.941 197 D HN 0.333 nan 8.370 nan 0.000 0.456 198 R N -0.072 120.353 120.500 -0.124 0.000 2.235 198 R HA -0.004 4.336 4.340 0.000 0.000 0.213 198 R C 2.058 178.293 176.300 -0.108 0.000 1.059 198 R CA 0.766 56.806 56.100 -0.100 0.000 0.997 198 R CB 0.083 30.333 30.300 -0.084 0.000 0.884 198 R HN 0.382 nan 8.270 nan 0.000 0.462 199 Q N -0.365 119.319 119.800 -0.193 0.000 2.392 199 Q HA 0.126 4.466 4.340 0.000 0.000 0.219 199 Q C 0.722 176.655 176.000 -0.112 0.000 0.895 199 Q CA 0.009 55.712 55.803 -0.167 0.000 0.929 199 Q CB 0.497 29.083 28.738 -0.254 0.000 1.077 199 Q HN 0.054 nan 8.270 nan 0.000 0.532 200 S N 1.257 116.837 115.700 -0.199 0.000 2.569 200 S HA -0.009 4.461 4.470 0.000 0.000 0.274 200 S C 0.982 175.601 174.600 0.032 0.000 1.353 200 S CA 0.220 58.400 58.200 -0.033 0.000 1.023 200 S CB 0.858 64.025 63.200 -0.056 0.000 0.876 200 S HN 0.356 nan 8.310 nan 0.000 0.540 201 S N 1.655 117.393 115.700 0.063 0.000 2.557 201 S HA 0.430 4.901 4.470 0.000 0.000 0.223 201 S C 1.197 175.808 174.600 0.020 0.000 0.969 201 S CA 0.269 58.503 58.200 0.058 0.000 0.927 201 S CB -0.177 63.088 63.200 0.108 0.000 0.806 201 S HN 2.146 nan 8.310 nan 0.000 0.489 202 G N 1.808 110.602 108.800 -0.009 0.000 2.130 202 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 202 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 202 G C 0.038 174.905 174.900 -0.055 0.000 0.999 202 G CA -0.009 45.080 45.100 -0.019 0.000 0.686 202 G HN 0.527 nan 8.290 nan 0.000 0.515 203 N N 0.193 118.812 118.700 -0.134 0.000 2.433 203 N HA 0.201 4.941 4.740 0.000 0.000 0.270 203 N C 0.437 175.794 175.510 -0.254 0.000 1.354 203 N CA -0.241 52.652 53.050 -0.263 0.000 0.889 203 N CB 0.629 38.754 38.487 -0.604 0.000 1.285 203 N HN 0.369 nan 8.380 nan 0.000 0.503 204 L N 1.027 122.193 121.223 -0.095 0.000 2.477 204 L HA 0.136 4.476 4.340 0.000 0.000 0.272 204 L C 1.374 178.233 176.870 -0.020 0.000 1.157 204 L CA -0.004 54.824 54.840 -0.020 0.000 0.889 204 L CB 0.829 42.925 42.059 0.061 0.000 1.158 204 L HN 0.144 nan 8.230 nan 0.000 0.473 205 A N 3.082 125.893 122.820 -0.014 0.000 2.070 205 A HA 0.736 5.056 4.320 0.000 0.000 0.202 205 A C 0.646 178.244 177.584 0.023 0.000 1.277 205 A CA 0.742 52.779 52.037 0.001 0.000 0.872 205 A CB 0.401 19.400 19.000 -0.001 0.000 0.933 205 A HN 0.730 nan 8.150 nan 0.000 0.475 206 A N -1.535 121.307 122.820 0.037 0.000 2.601 206 A HA 0.644 4.964 4.320 0.000 0.000 0.291 206 A C -1.821 175.819 177.584 0.093 0.000 1.075 206 A CA -0.376 51.696 52.037 0.058 0.000 0.671 206 A CB 0.440 19.448 19.000 0.012 0.000 1.277 206 A HN 0.712 nan 8.150 nan 0.000 0.417 207 F N 0.546 120.484 119.950 -0.021 0.000 2.529 207 F HA 0.742 5.269 4.527 0.000 0.000 0.320 207 F C -0.687 175.055 175.800 -0.096 0.000 1.118 207 F CA -0.706 57.267 58.000 -0.046 0.000 0.915 207 F CB 1.492 40.493 39.000 0.001 0.000 1.161 207 F HN 0.626 nan 8.300 nan 0.000 0.445 208 I N 5.616 126.069 120.570 -0.196 0.000 2.406 208 I HA 0.845 5.015 4.170 0.000 0.000 0.290 208 I C -1.433 174.656 176.117 -0.046 0.000 0.999 208 I CA -0.206 61.011 61.300 -0.138 0.000 1.124 208 I CB 1.226 39.013 38.000 -0.356 0.000 1.289 208 I HN 0.710 nan 8.210 nan 0.000 0.441 209 A N 5.826 128.744 122.820 0.165 0.000 2.549 209 A HA 0.640 4.960 4.320 0.000 0.000 0.297 209 A C -1.394 176.422 177.584 0.386 0.000 1.061 209 A CA -0.703 51.541 52.037 0.345 0.000 0.690 209 A CB 1.317 20.588 19.000 0.450 0.000 1.287 209 A HN 0.713 nan 8.150 nan 0.000 0.402 210 E N 1.945 122.425 120.200 0.466 0.000 2.197 210 E HA 0.343 4.693 4.350 0.000 0.000 0.281 210 E C -1.921 174.843 176.600 0.273 0.000 0.995 210 E CA -1.743 54.850 56.400 0.323 0.000 0.808 210 E CB 1.418 31.273 29.700 0.259 0.000 1.093 210 E HN 0.349 nan 8.360 nan 0.000 0.394 211 P HA -0.054 nan 4.420 nan 0.000 0.220 211 P C -0.113 177.243 177.300 0.092 0.000 1.148 211 P CA 1.164 64.353 63.100 0.148 0.000 0.803 211 P CB 0.403 32.173 31.700 0.117 0.000 0.782 212 I N -0.741 119.876 120.570 0.080 0.000 2.497 212 I HA 0.129 4.299 4.170 0.000 0.000 0.284 212 I C -0.725 175.405 176.117 0.022 0.000 1.060 212 I CA -1.179 60.136 61.300 0.024 0.000 1.071 212 I CB 2.126 40.130 38.000 0.007 0.000 1.216 212 I HN -0.351 nan 8.210 nan 0.000 0.442 213 L N 5.497 126.711 121.223 -0.014 0.000 2.617 213 L HA 0.056 4.397 4.340 0.000 0.000 0.282 213 L C 1.492 178.332 176.870 -0.051 0.000 1.174 213 L CA 0.800 55.629 54.840 -0.019 0.000 1.016 213 L CB 0.200 42.214 42.059 -0.075 0.000 1.337 213 L HN 0.634 nan 8.230 nan 0.000 0.460 214 S N 0.951 116.631 115.700 -0.034 0.000 2.336 214 S HA -0.148 4.322 4.470 0.000 0.000 0.214 214 S C 1.969 176.514 174.600 -0.091 0.000 1.032 214 S CA 1.736 59.897 58.200 -0.064 0.000 1.001 214 S CB 0.143 63.301 63.200 -0.069 0.000 0.953 214 S HN 0.755 nan 8.310 nan 0.000 0.430 215 S N 0.733 116.370 115.700 -0.106 0.000 2.423 215 S HA 0.006 4.477 4.470 0.000 0.000 0.231 215 S C 1.904 176.475 174.600 -0.048 0.000 1.014 215 S CA 0.897 59.022 58.200 -0.126 0.000 0.965 215 S CB -0.715 62.359 63.200 -0.210 0.000 0.785 215 S HN 0.655 nan 8.310 nan 0.000 0.495 216 G N 0.641 109.421 108.800 -0.033 0.000 2.679 216 G HA2 0.342 4.302 3.960 0.000 0.000 0.212 216 G HA3 0.342 4.302 3.960 0.000 0.000 0.212 216 G C 0.838 175.650 174.900 -0.147 0.000 1.137 216 G CA 0.360 45.423 45.100 -0.061 0.000 0.787 216 G HN 0.892 nan 8.290 nan 0.000 0.534 217 G N 0.277 108.995 108.800 -0.136 0.000 2.189 217 G HA2 -0.099 3.861 3.960 0.000 0.000 0.113 217 G HA3 -0.099 3.861 3.960 0.000 0.000 0.113 217 G C 0.354 175.169 174.900 -0.143 0.000 1.038 217 G CA -0.396 44.616 45.100 -0.147 0.000 0.704 217 G HN 0.795 nan 8.290 nan 0.000 0.490 218 I N -0.518 119.984 120.570 -0.114 0.000 7.316 218 I HA -0.208 3.962 4.170 0.000 0.000 0.126 218 I C 0.418 176.467 176.117 -0.115 0.000 1.806 218 I CA 0.924 62.172 61.300 -0.087 0.000 2.125 218 I CB -1.819 36.151 38.000 -0.050 0.000 3.572 218 I HN 0.412 nan 8.210 nan 0.000 0.196 219 I N 2.613 123.083 120.570 -0.166 0.000 2.312 219 I HA 0.271 4.441 4.170 0.000 0.000 0.290 219 I C 0.910 176.948 176.117 -0.132 0.000 1.008 219 I CA -0.265 60.912 61.300 -0.205 0.000 1.226 219 I CB 1.620 39.388 38.000 -0.386 0.000 1.371 219 I HN 0.287 nan 8.210 nan 0.000 0.468 220 E N 6.537 126.688 120.200 -0.082 0.000 2.249 220 E HA 0.398 4.748 4.350 0.000 0.000 0.280 220 E C -0.915 175.607 176.600 -0.130 0.000 1.016 220 E CA -0.748 55.610 56.400 -0.070 0.000 0.830 220 E CB 1.248 30.931 29.700 -0.029 0.000 1.081 220 E HN 0.485 nan 8.360 nan 0.000 0.395 221 L N 6.873 128.013 121.223 -0.138 0.000 2.361 221 L HA 0.266 4.606 4.340 0.000 0.000 0.278 221 L C -1.775 174.974 176.870 -0.201 0.000 1.113 221 L CA -1.829 52.862 54.840 -0.248 0.000 0.849 221 L CB 0.095 42.086 42.059 -0.112 0.000 1.155 221 L HN 0.419 nan 8.230 nan 0.000 0.452 222 P HA 0.023 nan 4.420 nan 0.000 0.272 222 P C -0.762 176.432 177.300 -0.176 0.000 1.240 222 P CA -0.533 62.375 63.100 -0.319 0.000 0.791 222 P CB 0.493 31.777 31.700 -0.693 0.000 0.978 223 D N 0.419 120.824 120.400 0.008 0.000 2.661 223 D HA 0.189 4.829 4.640 0.000 0.000 0.244 223 D C 1.635 178.038 176.300 0.173 0.000 1.196 223 D CA 2.285 56.348 54.000 0.106 0.000 0.881 223 D CB -0.641 40.241 40.800 0.137 0.000 1.141 223 D HN 0.704 nan 8.370 nan 0.000 0.530 224 G N 2.312 111.188 108.800 0.126 0.000 2.258 224 G HA2 -0.421 3.539 3.960 0.000 0.000 0.233 224 G HA3 -0.421 3.539 3.960 0.000 0.000 0.233 224 G C 1.026 176.002 174.900 0.127 0.000 1.006 224 G CA 0.316 45.492 45.100 0.128 0.000 0.620 224 G HN 0.515 nan 8.290 nan 0.000 0.511 225 Y N 0.868 121.166 120.300 -0.004 0.000 2.030 225 Y HA -0.063 4.487 4.550 0.000 0.000 0.274 225 Y C 3.094 178.984 175.900 -0.017 0.000 1.153 225 Y CA 3.034 61.114 58.100 -0.035 0.000 1.115 225 Y CB -0.432 37.933 38.460 -0.158 0.000 0.969 225 Y HN 0.309 nan 8.280 nan 0.000 0.488 226 M N -0.688 118.986 119.600 0.123 0.000 2.108 226 M HA -0.331 4.149 4.480 0.000 0.000 0.257 226 M C 2.276 178.533 176.300 -0.071 0.000 1.071 226 M CA 2.033 57.349 55.300 0.027 0.000 1.093 226 M CB -0.399 32.251 32.600 0.084 0.000 1.345 226 M HN 0.494 nan 8.290 nan 0.000 0.403 227 A N -0.137 122.657 122.820 -0.044 0.000 1.877 227 A HA -0.115 4.206 4.320 0.000 0.000 0.216 227 A C 2.259 179.772 177.584 -0.118 0.000 1.186 227 A CA 1.993 53.994 52.037 -0.061 0.000 0.620 227 A CB -1.099 17.885 19.000 -0.026 0.000 0.822 227 A HN 0.599 nan 8.150 nan 0.000 0.443 228 A N -0.505 122.226 122.820 -0.148 0.000 1.883 228 A HA -0.081 4.240 4.320 0.000 0.000 0.217 228 A C 2.128 179.533 177.584 -0.299 0.000 1.186 228 A CA 1.870 53.784 52.037 -0.205 0.000 0.624 228 A CB -0.731 18.142 19.000 -0.212 0.000 0.822 228 A HN 0.609 nan 8.150 nan 0.000 0.444 229 L N -0.120 120.861 121.223 -0.402 0.000 1.956 229 L HA -0.199 4.141 4.340 0.000 0.000 0.216 229 L C 2.311 178.983 176.870 -0.331 0.000 1.073 229 L CA 2.852 57.429 54.840 -0.439 0.000 0.762 229 L CB -0.938 40.848 42.059 -0.455 0.000 0.889 229 L HN 0.391 nan 8.230 nan 0.000 0.433 230 K N -0.276 119.985 120.400 -0.232 0.000 2.052 230 K HA -0.239 4.082 4.320 0.000 0.000 0.215 230 K C 2.312 178.805 176.600 -0.178 0.000 1.053 230 K CA 1.798 57.986 56.287 -0.165 0.000 0.934 230 K CB -0.448 31.987 32.500 -0.109 0.000 0.717 230 K HN 0.188 nan 8.250 nan 0.000 0.450 231 R N 0.248 120.638 120.500 -0.184 0.000 2.120 231 R HA -0.071 4.269 4.340 0.000 0.000 0.234 231 R C 1.960 178.112 176.300 -0.246 0.000 1.123 231 R CA 1.112 57.105 56.100 -0.178 0.000 0.975 231 R CB -0.156 30.054 30.300 -0.150 0.000 0.866 231 R HN 0.171 nan 8.270 nan 0.000 0.446 232 K N 0.014 120.199 120.400 -0.359 0.000 2.097 232 K HA -0.089 4.231 4.320 0.000 0.000 0.206 232 K C 2.192 178.477 176.600 -0.526 0.000 1.049 232 K CA 1.061 56.997 56.287 -0.584 0.000 0.933 232 K CB -0.520 31.420 32.500 -0.934 0.000 0.717 232 K HN 0.223 nan 8.250 nan 0.000 0.442 233 C N 1.008 120.099 119.300 -0.348 0.000 2.473 233 C HA -0.036 4.424 4.460 0.000 0.000 0.279 233 C C 2.517 177.425 174.990 -0.138 0.000 1.250 233 C CA 0.375 59.286 59.018 -0.177 0.000 1.713 233 C CB -0.718 26.967 27.740 -0.091 0.000 2.066 233 C HN 0.544 nan 8.230 nan 0.000 0.474 234 E N 1.100 121.220 120.200 -0.133 0.000 2.108 234 E HA -0.289 4.062 4.350 0.000 0.000 0.203 234 E C 2.238 178.779 176.600 -0.098 0.000 1.022 234 E CA 1.701 58.041 56.400 -0.100 0.000 0.823 234 E CB -0.326 29.317 29.700 -0.096 0.000 0.744 234 E HN 0.692 nan 8.360 nan 0.000 0.456 235 A N 0.598 123.340 122.820 -0.130 0.000 2.121 235 A HA -0.109 4.211 4.320 0.000 0.000 0.218 235 A C 1.851 179.377 177.584 -0.097 0.000 1.154 235 A CA 0.996 52.964 52.037 -0.115 0.000 0.679 235 A CB -0.100 18.814 19.000 -0.143 0.000 0.795 235 A HN 0.055 nan 8.150 nan 0.000 0.458 236 R N -1.719 118.721 120.500 -0.100 0.000 2.472 236 R HA 0.276 4.616 4.340 0.000 0.000 0.279 236 R C 0.904 177.183 176.300 -0.035 0.000 0.953 236 R CA 0.472 56.535 56.100 -0.062 0.000 1.088 236 R CB 0.301 30.568 30.300 -0.054 0.000 1.197 236 R HN 0.561 nan 8.270 nan 0.000 0.536 237 G N 1.811 110.587 108.800 -0.040 0.000 2.246 237 G HA2 -0.307 3.654 3.960 0.000 0.000 0.273 237 G HA3 -0.307 3.654 3.960 0.000 0.000 0.273 237 G C -0.048 174.843 174.900 -0.014 0.000 1.055 237 G CA 0.303 45.387 45.100 -0.026 0.000 0.851 237 G HN 0.183 nan 8.290 nan 0.000 0.500 238 M N -0.434 119.159 119.600 -0.011 0.000 2.537 238 M HA 0.624 5.104 4.480 0.000 0.000 0.324 238 M C 0.803 177.108 176.300 0.008 0.000 1.187 238 M CA -0.799 54.510 55.300 0.015 0.000 0.993 238 M CB 1.576 34.211 32.600 0.058 0.000 1.666 238 M HN 0.053 nan 8.290 nan 0.000 0.461 239 L N 2.107 123.340 121.223 0.017 0.000 2.421 239 L HA 0.544 4.884 4.340 0.000 0.000 0.263 239 L C -0.778 176.113 176.870 0.036 0.000 1.122 239 L CA -0.959 53.884 54.840 0.006 0.000 0.804 239 L CB 0.900 42.953 42.059 -0.010 0.000 1.150 239 L HN 0.509 nan 8.230 nan 0.000 0.457 240 L N 2.737 123.971 121.223 0.018 0.000 2.343 240 L HA 0.534 4.874 4.340 0.000 0.000 0.278 240 L C -0.764 176.119 176.870 0.022 0.000 0.996 240 L CA 0.108 54.974 54.840 0.043 0.000 0.831 240 L CB 1.147 43.210 42.059 0.006 0.000 1.232 240 L HN 0.341 nan 8.230 nan 0.000 0.413 241 I N 6.111 126.704 120.570 0.038 0.000 2.355 241 I HA 0.339 4.509 4.170 0.000 0.000 0.288 241 I C -0.666 175.467 176.117 0.026 0.000 0.999 241 I CA -0.438 60.860 61.300 -0.003 0.000 1.163 241 I CB 1.573 39.548 38.000 -0.043 0.000 1.316 241 I HN 0.469 nan 8.210 nan 0.000 0.454 242 L N 5.785 127.019 121.223 0.019 0.000 2.272 242 L HA 0.325 4.666 4.340 0.000 0.000 0.289 242 L C -0.427 176.475 176.870 0.053 0.000 1.032 242 L CA -0.458 54.417 54.840 0.059 0.000 0.810 242 L CB 1.275 43.361 42.059 0.045 0.000 1.205 242 L HN 0.529 nan 8.230 nan 0.000 0.422 243 D N 4.251 124.721 120.400 0.116 0.000 2.441 243 D HA 0.068 4.708 4.640 0.000 0.000 0.221 243 D C 0.096 176.482 176.300 0.144 0.000 1.156 243 D CA 0.053 54.139 54.000 0.143 0.000 0.896 243 D CB 0.716 41.685 40.800 0.281 0.000 1.028 243 D HN 0.445 nan 8.370 nan 0.000 0.509 244 E N 2.642 122.903 120.200 0.101 0.000 2.411 244 E HA 0.175 4.525 4.350 0.000 0.000 0.228 244 E C 1.012 177.678 176.600 0.110 0.000 1.169 244 E CA -0.368 56.100 56.400 0.115 0.000 1.421 244 E CB 0.752 30.532 29.700 0.134 0.000 1.333 244 E HN 0.528 nan 8.360 nan 0.000 0.434 245 A N 0.840 123.722 122.820 0.102 0.000 1.933 245 A HA -0.222 4.099 4.320 0.000 0.000 0.218 245 A C 2.004 179.621 177.584 0.056 0.000 1.175 245 A CA 1.289 53.375 52.037 0.082 0.000 0.628 245 A CB 0.028 19.084 19.000 0.092 0.000 0.814 245 A HN 0.246 nan 8.150 nan 0.000 0.444 246 Q N -1.456 118.374 119.800 0.050 0.000 2.378 246 Q HA 0.000 4.341 4.340 0.000 0.000 0.216 246 Q C 1.832 177.845 176.000 0.021 0.000 0.892 246 Q CA 1.135 56.949 55.803 0.018 0.000 0.931 246 Q CB 0.168 28.903 28.738 -0.006 0.000 1.086 246 Q HN 0.822 nan 8.270 nan 0.000 0.528 247 T N -2.264 112.321 114.554 0.052 0.000 3.039 247 T HA 0.150 4.500 4.350 0.000 0.000 0.250 247 T C 1.205 175.953 174.700 0.081 0.000 1.052 247 T CA 0.392 62.526 62.100 0.057 0.000 1.125 247 T CB -0.130 68.783 68.868 0.075 0.000 0.908 247 T HN 0.146 nan 8.240 nan 0.000 0.473 248 G N 1.254 110.140 108.800 0.143 0.000 2.716 248 G HA2 0.379 4.339 3.960 0.000 0.000 0.251 248 G HA3 0.379 4.339 3.960 0.000 0.000 0.251 248 G C 0.301 175.231 174.900 0.050 0.000 1.224 248 G CA 0.164 45.410 45.100 0.243 0.000 0.891 248 G HN 1.021 nan 8.290 nan 0.000 0.561 249 V N -0.256 119.603 119.914 -0.093 0.000 5.658 249 V HA -0.207 3.913 4.120 0.000 0.000 0.312 249 V C 1.952 177.943 176.094 -0.172 0.000 0.480 249 V CA 1.692 63.887 62.300 -0.174 0.000 0.684 249 V CB -2.083 29.697 31.823 -0.071 0.000 0.426 249 V HN 2.841 nan 8.190 nan 0.000 1.241 250 G N -0.304 108.368 108.800 -0.213 0.000 2.304 250 G HA2 -0.446 3.514 3.960 0.000 0.000 0.252 250 G HA3 -0.446 3.514 3.960 0.000 0.000 0.252 250 G C 0.871 175.713 174.900 -0.097 0.000 1.014 250 G CA 1.277 46.286 45.100 -0.151 0.000 0.619 250 G HN 0.905 nan 8.290 nan 0.000 0.525 251 R N 0.870 121.324 120.500 -0.078 0.000 2.119 251 R HA -0.147 4.194 4.340 0.000 0.000 0.246 251 R C 2.515 178.783 176.300 -0.053 0.000 1.146 251 R CA 2.674 58.737 56.100 -0.063 0.000 0.962 251 R CB -0.599 29.670 30.300 -0.051 0.000 0.863 251 R HN 0.669 nan 8.270 nan 0.000 0.442 252 T N -3.404 111.128 114.554 -0.037 0.000 3.235 252 T HA 0.323 4.673 4.350 0.000 0.000 0.251 252 T C 1.086 175.769 174.700 -0.028 0.000 1.060 252 T CA 0.221 62.305 62.100 -0.026 0.000 0.949 252 T CB 0.818 69.684 68.868 -0.004 0.000 1.020 252 T HN 0.508 nan 8.240 nan 0.000 0.564 253 G N 1.203 109.978 108.800 -0.042 0.000 2.213 253 G HA2 -0.220 3.740 3.960 0.000 0.000 0.236 253 G HA3 -0.220 3.740 3.960 0.000 0.000 0.236 253 G C 0.245 175.119 174.900 -0.044 0.000 0.991 253 G CA 0.122 45.198 45.100 -0.040 0.000 0.629 253 G HN 1.153 nan 8.290 nan 0.000 0.517 254 T N -2.948 111.577 114.554 -0.049 0.000 2.916 254 T HA 0.657 5.007 4.350 0.000 0.000 0.292 254 T C 1.104 175.723 174.700 -0.136 0.000 1.064 254 T CA 0.125 62.189 62.100 -0.061 0.000 1.011 254 T CB 1.828 70.688 68.868 -0.013 0.000 1.152 254 T HN 0.285 nan 8.240 nan 0.000 0.510 255 M N 0.334 119.802 119.600 -0.220 0.000 2.149 255 M HA 0.290 4.770 4.480 0.000 0.000 0.261 255 M C -0.689 175.163 176.300 -0.747 0.000 1.064 255 M CA 1.357 56.352 55.300 -0.508 0.000 1.102 255 M CB -0.712 31.525 32.600 -0.605 0.000 1.369 255 M HN 0.665 nan 8.290 nan 0.000 0.408 256 F N -2.416 117.533 119.950 -0.002 0.000 2.588 256 F HA 0.528 5.055 4.527 0.000 0.000 0.310 256 F C 0.886 176.691 175.800 0.008 0.000 1.082 256 F CA -0.693 57.309 58.000 0.004 0.000 0.929 256 F CB 1.073 40.076 39.000 0.005 0.000 1.254 256 F HN -0.120 nan 8.300 nan 0.000 0.455 257 A N 0.316 123.264 122.820 0.213 0.000 2.015 257 A HA -0.146 4.175 4.320 0.000 0.000 0.219 257 A C 2.024 179.677 177.584 0.116 0.000 1.163 257 A CA 1.595 53.707 52.037 0.125 0.000 0.646 257 A CB -1.264 17.795 19.000 0.099 0.000 0.806 257 A HN 1.013 nan 8.150 nan 0.000 0.448 258 C N -1.201 118.178 119.300 0.132 0.000 2.422 258 C HA -0.068 4.392 4.460 0.000 0.000 0.286 258 C C 2.372 177.413 174.990 0.085 0.000 1.412 258 C CA 0.832 59.904 59.018 0.090 0.000 1.786 258 C CB -1.737 26.037 27.740 0.057 0.000 1.835 258 C HN 0.642 nan 8.230 nan 0.000 0.533 259 Q N 0.780 120.649 119.800 0.115 0.000 2.079 259 Q HA -0.153 4.188 4.340 0.000 0.000 0.200 259 Q C 2.529 178.564 176.000 0.059 0.000 0.974 259 Q CA 1.544 57.402 55.803 0.091 0.000 0.840 259 Q CB -0.226 28.576 28.738 0.107 0.000 0.898 259 Q HN 0.736 nan 8.270 nan 0.000 0.430 260 R N 0.928 121.462 120.500 0.056 0.000 2.082 260 R HA -0.170 4.170 4.340 0.000 0.000 0.234 260 R C 1.795 178.119 176.300 0.039 0.000 1.136 260 R CA 1.899 58.023 56.100 0.041 0.000 0.935 260 R CB -0.110 30.213 30.300 0.039 0.000 0.842 260 R HN 0.225 nan 8.270 nan 0.000 0.430 261 D N -1.251 119.177 120.400 0.045 0.000 2.219 261 D HA -0.062 4.578 4.640 0.000 0.000 0.205 261 D C 0.731 177.051 176.300 0.034 0.000 0.970 261 D CA 1.551 55.577 54.000 0.042 0.000 0.851 261 D CB 0.116 40.947 40.800 0.051 0.000 0.943 261 D HN 0.605 nan 8.370 nan 0.000 0.488 262 G N 0.481 109.301 108.800 0.034 0.000 2.160 262 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 262 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 262 G C 0.073 174.983 174.900 0.017 0.000 1.022 262 G CA 0.246 45.362 45.100 0.026 0.000 0.741 262 G HN 0.269 nan 8.290 nan 0.000 0.508 263 V N 1.196 121.121 119.914 0.019 0.000 2.407 263 V HA 0.696 4.816 4.120 0.000 0.000 0.291 263 V C 0.596 176.692 176.094 0.003 0.000 1.018 263 V CA 0.031 62.334 62.300 0.005 0.000 0.842 263 V CB 1.732 33.556 31.823 0.001 0.000 0.996 263 V HN 0.752 nan 8.190 nan 0.000 0.426 264 T N 5.710 120.259 114.554 -0.009 0.000 2.799 264 T HA 0.607 4.957 4.350 0.000 0.000 0.286 264 T C -2.043 172.639 174.700 -0.030 0.000 0.973 264 T CA -1.604 60.484 62.100 -0.020 0.000 1.035 264 T CB 1.716 70.570 68.868 -0.024 0.000 0.932 264 T HN 0.503 nan 8.240 nan 0.000 0.469 265 P HA 0.367 nan 4.420 nan 0.000 0.276 265 P C 0.117 177.388 177.300 -0.049 0.000 1.261 265 P CA -0.378 62.700 63.100 -0.037 0.000 0.800 265 P CB 0.933 32.613 31.700 -0.034 0.000 1.066 266 D N -0.342 120.031 120.400 -0.044 0.000 2.162 266 D HA 0.076 4.716 4.640 0.000 0.000 0.203 266 D C 0.655 176.914 176.300 -0.068 0.000 0.967 266 D CA 1.396 55.365 54.000 -0.052 0.000 0.840 266 D CB 0.301 41.075 40.800 -0.043 0.000 0.972 266 D HN 0.325 nan 8.370 nan 0.000 0.482 267 I N 0.670 121.199 120.570 -0.068 0.000 2.619 267 I HA 0.257 4.427 4.170 0.000 0.000 0.292 267 I C -1.148 174.918 176.117 -0.085 0.000 1.100 267 I CA -0.942 60.305 61.300 -0.087 0.000 1.043 267 I CB 3.036 40.980 38.000 -0.094 0.000 1.239 267 I HN -0.216 nan 8.210 nan 0.000 0.420 268 L N 6.030 127.186 121.223 -0.111 0.000 2.362 268 L HA 0.754 5.094 4.340 0.000 0.000 0.275 268 L C -0.230 176.571 176.870 -0.114 0.000 0.998 268 L CA 0.159 54.924 54.840 -0.125 0.000 0.820 268 L CB 2.040 43.971 42.059 -0.212 0.000 1.270 268 L HN 0.717 nan 8.230 nan 0.000 0.415 269 T N 3.109 117.621 114.554 -0.071 0.000 2.855 269 T HA 0.788 5.138 4.350 0.000 0.000 0.281 269 T C -0.541 174.153 174.700 -0.010 0.000 1.007 269 T CA -0.628 61.446 62.100 -0.042 0.000 1.009 269 T CB 1.183 70.039 68.868 -0.020 0.000 0.983 269 T HN 0.590 nan 8.240 nan 0.000 0.455 270 L N 2.255 123.481 121.223 0.004 0.000 2.350 270 L HA 0.775 5.115 4.340 0.000 0.000 0.260 270 L C 0.396 177.293 176.870 0.045 0.000 1.015 270 L CA -0.716 54.150 54.840 0.044 0.000 0.821 270 L CB 2.521 44.616 42.059 0.060 0.000 1.370 270 L HN 1.096 nan 8.230 nan 0.000 0.416 271 S N -0.805 114.928 115.700 0.054 0.000 5.911 271 S HA 0.166 4.636 4.470 0.000 0.000 0.134 271 S C 0.879 175.499 174.600 0.033 0.000 1.400 271 S CA -0.390 57.835 58.200 0.043 0.000 1.004 271 S CB 0.195 63.425 63.200 0.050 0.000 1.903 271 S HN 0.453 nan 8.310 nan 0.000 0.620 272 K N 1.521 121.939 120.400 0.031 0.000 2.017 272 K HA -0.298 4.022 4.320 0.000 0.000 0.229 272 K C 2.320 178.920 176.600 0.001 0.000 1.004 272 K CA 2.882 59.177 56.287 0.013 0.000 0.991 272 K CB -1.711 30.793 32.500 0.007 0.000 0.773 272 K HN 0.818 nan 8.250 nan 0.000 0.453 273 T N 0.254 114.810 114.554 0.002 0.000 2.881 273 T HA -0.107 4.243 4.350 0.000 0.000 0.270 273 T C 1.810 176.504 174.700 -0.010 0.000 1.068 273 T CA 1.157 63.250 62.100 -0.012 0.000 1.131 273 T CB -0.194 68.670 68.868 -0.006 0.000 0.871 273 T HN 0.117 nan 8.240 nan 0.000 0.479 274 L N 2.062 123.293 121.223 0.012 0.000 2.141 274 L HA 0.329 4.669 4.340 0.000 0.000 0.209 274 L C 2.458 179.324 176.870 -0.006 0.000 1.094 274 L CA 1.742 56.590 54.840 0.013 0.000 0.763 274 L CB -1.203 40.877 42.059 0.035 0.000 0.908 274 L HN 0.420 nan 8.230 nan 0.000 0.437 275 G N -1.939 106.857 108.800 -0.007 0.000 2.744 275 G HA2 0.221 4.181 3.960 0.000 0.000 0.211 275 G HA3 0.221 4.181 3.960 0.000 0.000 0.211 275 G C 0.917 175.804 174.900 -0.023 0.000 1.146 275 G CA 0.384 45.476 45.100 -0.014 0.000 0.787 275 G HN 0.765 nan 8.290 nan 0.000 0.534 276 A N -0.945 121.856 122.820 -0.032 0.000 2.687 276 A HA 0.235 4.555 4.320 0.000 0.000 0.299 276 A C 1.891 179.451 177.584 -0.041 0.000 1.497 276 A CA 1.758 53.766 52.037 -0.048 0.000 0.751 276 A CB -1.572 17.393 19.000 -0.058 0.000 1.048 276 A HN 2.287 nan 8.150 nan 0.000 0.464 277 G N -2.809 105.973 108.800 -0.029 0.000 2.213 277 G HA2 -0.091 3.869 3.960 0.000 0.000 0.226 277 G HA3 -0.091 3.869 3.960 0.000 0.000 0.226 277 G C 0.186 175.087 174.900 0.003 0.000 0.992 277 G CA 0.438 45.530 45.100 -0.013 0.000 0.632 277 G HN 1.766 nan 8.290 nan 0.000 0.511 278 L N 1.556 122.777 121.223 -0.003 0.000 2.358 278 L HA 0.707 5.048 4.340 0.000 0.000 0.268 278 L C -2.032 174.830 176.870 -0.012 0.000 1.032 278 L CA -1.703 53.134 54.840 -0.006 0.000 0.805 278 L CB 1.357 43.413 42.059 -0.006 0.000 1.253 278 L HN -0.077 nan 8.230 nan 0.000 0.452 279 P HA 0.356 nan 4.420 nan 0.000 0.274 279 P C -1.120 176.168 177.300 -0.020 0.000 1.504 279 P CA -0.238 62.848 63.100 -0.024 0.000 1.011 279 P CB 0.745 32.415 31.700 -0.049 0.000 1.366 280 L N 2.790 124.010 121.223 -0.005 0.000 2.422 280 L HA 0.881 5.221 4.340 0.000 0.000 0.264 280 L C -1.260 175.619 176.870 0.015 0.000 0.984 280 L CA -0.754 54.087 54.840 0.003 0.000 0.819 280 L CB 2.103 44.159 42.059 -0.005 0.000 1.330 280 L HN 0.387 nan 8.230 nan 0.000 0.410 281 A N 3.053 125.886 122.820 0.022 0.000 2.593 281 A HA 1.077 5.398 4.320 0.000 0.000 0.290 281 A C -1.516 176.078 177.584 0.017 0.000 1.126 281 A CA -0.028 52.024 52.037 0.025 0.000 0.695 281 A CB 1.644 20.664 19.000 0.034 0.000 1.290 281 A HN 1.833 nan 8.150 nan 0.000 0.414 282 A N -0.343 122.480 122.820 0.006 0.000 2.567 282 A HA 0.704 5.024 4.320 0.000 0.000 0.291 282 A C -1.131 176.431 177.584 -0.036 0.000 1.048 282 A CA 0.184 52.215 52.037 -0.010 0.000 0.661 282 A CB 0.357 19.354 19.000 -0.005 0.000 1.288 282 A HN 2.287 nan 8.150 nan 0.000 0.424 283 I N -1.477 119.060 120.570 -0.055 0.000 2.785 283 I HA 0.938 5.108 4.170 0.000 0.000 0.302 283 I C -1.347 174.719 176.117 -0.085 0.000 1.069 283 I CA -1.213 60.038 61.300 -0.082 0.000 1.045 283 I CB 2.258 40.194 38.000 -0.107 0.000 1.236 283 I HN 0.379 nan 8.210 nan 0.000 0.429 284 V N 3.468 123.318 119.914 -0.107 0.000 2.623 284 V HA 0.645 4.765 4.120 0.000 0.000 0.304 284 V C -0.214 175.812 176.094 -0.114 0.000 1.054 284 V CA -0.181 62.054 62.300 -0.109 0.000 0.882 284 V CB 1.708 33.449 31.823 -0.138 0.000 1.002 284 V HN 0.999 nan 8.190 nan 0.000 0.424 285 T N 1.892 116.385 114.554 -0.101 0.000 2.778 285 T HA 0.582 4.932 4.350 0.000 0.000 0.293 285 T C -0.094 174.558 174.700 -0.080 0.000 1.144 285 T CA 0.141 62.182 62.100 -0.098 0.000 1.010 285 T CB 2.000 70.798 68.868 -0.116 0.000 1.325 285 T HN 1.010 nan 8.240 nan 0.000 0.515 286 S N 0.918 116.575 115.700 -0.072 0.000 2.603 286 S HA 0.543 5.013 4.470 0.000 0.000 0.268 286 S C 1.669 176.237 174.600 -0.053 0.000 1.317 286 S CA -0.012 58.154 58.200 -0.057 0.000 1.012 286 S CB 0.828 63.998 63.200 -0.050 0.000 0.926 286 S HN 1.000 nan 8.310 nan 0.000 0.539 287 A N 2.394 125.189 122.820 -0.041 0.000 1.933 287 A HA 0.144 4.464 4.320 0.000 0.000 0.218 287 A C 2.390 179.955 177.584 -0.031 0.000 1.175 287 A CA 1.765 53.780 52.037 -0.036 0.000 0.628 287 A CB -1.653 17.330 19.000 -0.028 0.000 0.814 287 A HN 1.354 nan 8.150 nan 0.000 0.444 288 A N 0.021 122.824 122.820 -0.028 0.000 1.858 288 A HA -0.106 4.214 4.320 0.000 0.000 0.216 288 A C 2.127 179.696 177.584 -0.025 0.000 1.190 288 A CA 1.593 53.617 52.037 -0.021 0.000 0.617 288 A CB -0.640 18.347 19.000 -0.021 0.000 0.827 288 A HN 0.483 nan 8.150 nan 0.000 0.443 289 I N -0.589 119.956 120.570 -0.041 0.000 2.226 289 I HA -0.235 3.935 4.170 0.000 0.000 0.245 289 I C 2.659 178.735 176.117 -0.068 0.000 1.100 289 I CA 1.586 62.852 61.300 -0.057 0.000 1.374 289 I CB -0.244 37.711 38.000 -0.075 0.000 1.057 289 I HN 0.447 nan 8.210 nan 0.000 0.413 290 E N 1.017 121.176 120.200 -0.068 0.000 2.051 290 E HA -0.236 4.114 4.350 0.000 0.000 0.192 290 E C 1.987 178.585 176.600 -0.003 0.000 0.991 290 E CA 1.296 57.657 56.400 -0.066 0.000 0.799 290 E CB 0.016 29.677 29.700 -0.064 0.000 0.748 290 E HN 0.419 nan 8.360 nan 0.000 0.449 291 E N 0.394 120.598 120.200 0.006 0.000 2.070 291 E HA -0.240 4.110 4.350 0.000 0.000 0.197 291 E C 2.271 178.919 176.600 0.080 0.000 1.004 291 E CA 1.255 57.685 56.400 0.049 0.000 0.805 291 E CB -0.350 29.365 29.700 0.026 0.000 0.744 291 E HN 0.175 nan 8.360 nan 0.000 0.451 292 R N 0.714 121.236 120.500 0.036 0.000 2.092 292 R HA -0.044 4.296 4.340 0.000 0.000 0.231 292 R C 2.236 178.562 176.300 0.043 0.000 1.119 292 R CA 1.388 57.507 56.100 0.032 0.000 0.970 292 R CB -0.287 30.019 30.300 0.009 0.000 0.864 292 R HN 0.130 nan 8.270 nan 0.000 0.440 293 A N -0.163 122.673 122.820 0.027 0.000 1.933 293 A HA -0.232 4.088 4.320 0.000 0.000 0.218 293 A C 1.993 179.664 177.584 0.144 0.000 1.175 293 A CA 1.896 53.956 52.037 0.038 0.000 0.628 293 A CB -0.892 18.031 19.000 -0.129 0.000 0.814 293 A HN 0.621 nan 8.150 nan 0.000 0.444 294 H N -0.307 118.792 119.070 0.049 0.000 2.293 294 H HA -0.098 4.458 4.556 0.000 0.000 0.300 294 H C 1.975 177.340 175.328 0.062 0.000 1.082 294 H CA 2.015 58.109 56.048 0.076 0.000 1.308 294 H CB -0.329 29.463 29.762 0.049 0.000 1.375 294 H HN 0.585 nan 8.280 nan 0.000 0.495 295 E N -0.666 119.540 120.200 0.011 0.000 2.136 295 E HA -0.184 4.166 4.350 0.000 0.000 0.202 295 E C 1.168 177.723 176.600 -0.075 0.000 1.019 295 E CA 1.311 57.679 56.400 -0.053 0.000 0.819 295 E CB -0.032 29.677 29.700 0.014 0.000 0.739 295 E HN 0.299 nan 8.360 nan 0.000 0.458 296 L N -0.439 120.771 121.223 -0.022 0.000 2.591 296 L HA 0.169 4.509 4.340 0.000 0.000 0.228 296 L C 1.053 177.925 176.870 0.002 0.000 1.133 296 L CA 1.121 55.961 54.840 -0.000 0.000 0.880 296 L CB -0.145 41.936 42.059 0.037 0.000 1.033 296 L HN 0.251 nan 8.230 nan 0.000 0.450 297 G N -0.679 108.099 108.800 -0.036 0.000 2.289 297 G HA2 -0.364 3.596 3.960 0.000 0.000 0.280 297 G HA3 -0.364 3.596 3.960 0.000 0.000 0.280 297 G C 0.090 175.039 174.900 0.081 0.000 1.089 297 G CA 0.060 45.148 45.100 -0.021 0.000 0.939 297 G HN 0.299 nan 8.290 nan 0.000 0.499 298 Y N -0.032 120.286 120.300 0.031 0.000 2.702 298 Y HA 0.440 4.990 4.550 0.000 0.000 0.336 298 Y C 0.407 176.368 175.900 0.101 0.000 1.235 298 Y CA -0.145 58.001 58.100 0.077 0.000 1.492 298 Y CB 0.506 39.024 38.460 0.097 0.000 1.308 298 Y HN 0.363 nan 8.280 nan 0.000 0.589 299 L N 8.224 129.091 121.223 -0.592 0.000 2.441 299 L HA 0.341 4.681 4.340 0.000 0.000 0.270 299 L C -1.799 174.789 176.870 -0.469 0.000 0.973 299 L CA -0.608 53.992 54.840 -0.400 0.000 0.842 299 L CB 0.990 42.924 42.059 -0.208 0.000 1.239 299 L HN 0.830 nan 8.230 nan 0.000 0.406 300 F N 4.815 124.517 119.950 -0.413 0.000 2.664 300 F HA 0.262 4.789 4.527 0.000 0.000 0.353 300 F C -1.029 174.756 175.800 -0.024 0.000 1.498 300 F CA -0.349 57.519 58.000 -0.219 0.000 1.109 300 F CB 0.600 39.487 39.000 -0.187 0.000 1.728 300 F HN 0.326 nan 8.300 nan 0.000 0.580 301 Y N 2.377 122.507 120.300 -0.283 0.000 2.341 301 Y HA 0.514 5.064 4.550 0.000 0.000 0.340 301 Y C 0.449 176.205 175.900 -0.241 0.000 0.997 301 Y CA -0.070 57.910 58.100 -0.198 0.000 1.149 301 Y CB 0.778 39.136 38.460 -0.170 0.000 1.171 301 Y HN 0.421 nan 8.280 nan 0.000 0.494 302 T N -0.318 114.015 114.554 -0.368 0.000 2.831 302 T HA 0.295 4.645 4.350 0.000 0.000 0.287 302 T C 0.731 175.224 174.700 -0.346 0.000 1.070 302 T CA -0.315 61.626 62.100 -0.266 0.000 1.010 302 T CB 1.430 70.220 68.868 -0.129 0.000 1.264 302 T HN 0.426 nan 8.240 nan 0.000 0.532 303 T N 0.529 114.932 114.554 -0.251 0.000 2.737 303 T HA -0.047 4.303 4.350 0.000 0.000 0.265 303 T C 1.320 175.799 174.700 -0.368 0.000 1.038 303 T CA 1.349 63.243 62.100 -0.344 0.000 1.144 303 T CB -0.485 68.080 68.868 -0.505 0.000 0.866 303 T HN 0.723 nan 8.240 nan 0.000 0.434 304 H N -0.136 118.939 119.070 0.008 0.000 2.551 304 H HA 0.387 4.943 4.556 0.000 0.000 0.271 304 H C 0.781 176.099 175.328 -0.016 0.000 0.984 304 H CA -0.272 55.798 56.048 0.036 0.000 1.164 304 H CB -0.349 29.443 29.762 0.050 0.000 1.437 304 H HN 0.163 nan 8.280 nan 0.000 0.550 305 V N 2.373 122.280 119.914 -0.011 0.000 2.673 305 V HA -0.090 4.030 4.120 0.000 0.000 0.303 305 V C 0.265 176.314 176.094 -0.074 0.000 1.046 305 V CA 0.490 62.771 62.300 -0.032 0.000 1.126 305 V CB 0.323 32.093 31.823 -0.087 0.000 0.934 305 V HN 0.690 nan 8.190 nan 0.000 0.487 306 S N 3.420 119.099 115.700 -0.034 0.000 3.631 306 S HA -0.167 4.303 4.470 0.000 0.000 0.366 306 S C -0.383 174.189 174.600 -0.047 0.000 0.993 306 S CA 0.875 59.047 58.200 -0.046 0.000 1.167 306 S CB -1.349 61.811 63.200 -0.066 0.000 0.909 306 S HN 0.944 nan 8.310 nan 0.000 0.478 307 D N 1.168 121.568 120.400 -0.000 0.000 2.233 307 D HA 0.404 5.044 4.640 0.000 0.000 0.240 307 D C -0.902 175.404 176.300 0.010 0.000 1.074 307 D CA -2.059 51.958 54.000 0.028 0.000 0.838 307 D CB 1.279 42.171 40.800 0.153 0.000 1.124 307 D HN 0.077 nan 8.370 nan 0.000 0.475 308 P HA -0.200 nan 4.420 nan 0.000 0.214 308 P C 1.651 178.892 177.300 -0.099 0.000 1.163 308 P CA 0.471 63.548 63.100 -0.038 0.000 0.889 308 P CB 0.359 32.076 31.700 0.027 0.000 0.790 309 L N 0.592 121.807 121.223 -0.014 0.000 1.963 309 L HA -0.133 4.207 4.340 0.000 0.000 0.220 309 L C -0.672 176.152 176.870 -0.076 0.000 1.076 309 L CA 3.079 57.904 54.840 -0.025 0.000 0.772 309 L CB -2.482 39.613 42.059 0.059 0.000 0.892 309 L HN 0.014 nan 8.230 nan 0.000 0.435 310 P HA -0.145 nan 4.420 nan 0.000 0.214 310 P C 1.630 178.888 177.300 -0.070 0.000 1.163 310 P CA 2.155 65.230 63.100 -0.042 0.000 0.883 310 P CB -0.277 31.412 31.700 -0.019 0.000 0.788 311 A N 0.405 123.179 122.820 -0.076 0.000 1.869 311 A HA -0.282 4.038 4.320 0.000 0.000 0.218 311 A C 2.396 179.894 177.584 -0.143 0.000 1.203 311 A CA 3.009 54.993 52.037 -0.090 0.000 0.638 311 A CB -1.810 17.137 19.000 -0.087 0.000 0.831 311 A HN 0.205 nan 8.150 nan 0.000 0.450 312 A N -0.898 121.767 122.820 -0.259 0.000 1.903 312 A HA -0.128 4.192 4.320 0.000 0.000 0.219 312 A C 2.276 179.738 177.584 -0.202 0.000 1.191 312 A CA 2.324 54.126 52.037 -0.391 0.000 0.638 312 A CB -1.211 17.240 19.000 -0.914 0.000 0.823 312 A HN 0.587 nan 8.150 nan 0.000 0.451 313 V N -0.187 119.645 119.914 -0.137 0.000 2.343 313 V HA -0.199 3.922 4.120 0.000 0.000 0.247 313 V C 2.820 178.882 176.094 -0.053 0.000 1.051 313 V CA 2.021 64.283 62.300 -0.064 0.000 1.036 313 V CB -1.542 30.259 31.823 -0.036 0.000 0.654 313 V HN 0.650 nan 8.190 nan 0.000 0.451 314 G N -0.240 108.528 108.800 -0.054 0.000 2.442 314 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 314 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 314 G C 1.545 176.422 174.900 -0.037 0.000 1.141 314 G CA 1.058 46.136 45.100 -0.037 0.000 0.763 314 G HN 0.389 nan 8.290 nan 0.000 0.554 315 L N 0.769 121.962 121.223 -0.049 0.000 1.994 315 L HA 0.041 4.381 4.340 0.000 0.000 0.208 315 L C 2.739 179.590 176.870 -0.032 0.000 1.071 315 L CA 1.947 56.764 54.840 -0.039 0.000 0.745 315 L CB -0.889 41.139 42.059 -0.051 0.000 0.892 315 L HN 0.188 nan 8.230 nan 0.000 0.431 316 R N -0.450 120.030 120.500 -0.032 0.000 2.094 316 R HA -0.148 4.192 4.340 0.000 0.000 0.239 316 R C 2.184 178.455 176.300 -0.048 0.000 1.137 316 R CA 2.202 58.288 56.100 -0.023 0.000 0.943 316 R CB -1.236 29.060 30.300 -0.007 0.000 0.850 316 R HN 0.289 nan 8.270 nan 0.000 0.433 317 V N 0.969 120.846 119.914 -0.061 0.000 2.317 317 V HA -0.299 3.821 4.120 0.000 0.000 0.251 317 V C 2.405 178.451 176.094 -0.079 0.000 1.065 317 V CA 2.189 64.436 62.300 -0.087 0.000 1.049 317 V CB -0.519 31.260 31.823 -0.073 0.000 0.651 317 V HN 0.302 nan 8.190 nan 0.000 0.450 318 L N -0.619 120.571 121.223 -0.054 0.000 2.027 318 L HA -0.156 4.185 4.340 0.000 0.000 0.206 318 L C 2.426 179.267 176.870 -0.049 0.000 1.074 318 L CA 1.558 56.368 54.840 -0.050 0.000 0.745 318 L CB -0.849 41.194 42.059 -0.026 0.000 0.898 318 L HN 0.298 nan 8.230 nan 0.000 0.433 319 D N -0.049 120.329 120.400 -0.037 0.000 2.126 319 D HA -0.214 4.426 4.640 0.000 0.000 0.190 319 D C 2.205 178.483 176.300 -0.038 0.000 1.001 319 D CA 1.899 55.883 54.000 -0.027 0.000 0.841 319 D CB -0.333 40.459 40.800 -0.014 0.000 0.949 319 D HN 0.287 nan 8.370 nan 0.000 0.446 320 V N -0.398 119.480 119.914 -0.060 0.000 2.453 320 V HA -0.133 3.987 4.120 0.000 0.000 0.247 320 V C 2.244 178.292 176.094 -0.077 0.000 1.048 320 V CA 1.165 63.421 62.300 -0.073 0.000 1.049 320 V CB -0.372 31.379 31.823 -0.120 0.000 0.672 320 V HN 0.037 nan 8.190 nan 0.000 0.457 321 V N 0.600 120.460 119.914 -0.090 0.000 2.332 321 V HA -0.306 3.814 4.120 0.000 0.000 0.248 321 V C 2.799 178.851 176.094 -0.070 0.000 1.055 321 V CA 2.806 65.053 62.300 -0.088 0.000 1.038 321 V CB -0.688 31.073 31.823 -0.103 0.000 0.651 321 V HN 0.657 nan 8.190 nan 0.000 0.450 322 Q N -0.539 119.224 119.800 -0.062 0.000 1.990 322 Q HA -0.249 4.091 4.340 0.000 0.000 0.200 322 Q C 2.425 178.405 176.000 -0.034 0.000 0.980 322 Q CA 2.089 57.863 55.803 -0.049 0.000 0.832 322 Q CB -0.341 28.373 28.738 -0.040 0.000 0.897 322 Q HN 0.631 nan 8.270 nan 0.000 0.427 323 R N 1.014 121.499 120.500 -0.026 0.000 2.080 323 R HA -0.178 4.162 4.340 0.000 0.000 0.236 323 R C 0.970 177.265 176.300 -0.010 0.000 1.137 323 R CA 2.153 58.245 56.100 -0.013 0.000 0.943 323 R CB -0.211 30.086 30.300 -0.004 0.000 0.846 323 R HN 0.114 nan 8.270 nan 0.000 0.431 324 D N -0.194 120.199 120.400 -0.012 0.000 2.378 324 D HA 0.097 4.737 4.640 0.000 0.000 0.227 324 D C 0.542 176.834 176.300 -0.014 0.000 1.012 324 D CA 1.179 55.176 54.000 -0.004 0.000 0.905 324 D CB 0.106 40.910 40.800 0.006 0.000 0.895 324 D HN 0.619 nan 8.370 nan 0.000 0.532 325 G N 1.004 109.790 108.800 -0.024 0.000 2.356 325 G HA2 -0.322 3.638 3.960 0.000 0.000 0.296 325 G HA3 -0.322 3.638 3.960 0.000 0.000 0.296 325 G C 1.016 175.895 174.900 -0.035 0.000 1.022 325 G CA 0.367 45.450 45.100 -0.029 0.000 0.961 325 G HN 0.422 nan 8.290 nan 0.000 0.510 326 L N -0.948 120.249 121.223 -0.045 0.000 2.201 326 L HA -0.102 4.238 4.340 0.000 0.000 0.212 326 L C 2.888 179.723 176.870 -0.059 0.000 1.105 326 L CA 1.043 55.854 54.840 -0.050 0.000 0.775 326 L CB -0.508 41.514 42.059 -0.060 0.000 0.913 326 L HN 0.320 nan 8.230 nan 0.000 0.440 327 V N 0.299 120.171 119.914 -0.069 0.000 2.332 327 V HA -0.314 3.807 4.120 0.000 0.000 0.248 327 V C 2.771 178.831 176.094 -0.056 0.000 1.055 327 V CA 1.911 64.165 62.300 -0.076 0.000 1.038 327 V CB -0.898 30.871 31.823 -0.091 0.000 0.651 327 V HN 0.496 nan 8.190 nan 0.000 0.450 328 A N 0.186 122.980 122.820 -0.044 0.000 1.841 328 A HA -0.239 4.081 4.320 0.000 0.000 0.214 328 A C 2.341 179.907 177.584 -0.030 0.000 1.195 328 A CA 1.963 53.980 52.037 -0.033 0.000 0.611 328 A CB -0.638 18.347 19.000 -0.025 0.000 0.835 328 A HN 0.466 nan 8.150 nan 0.000 0.443 329 R N -0.195 120.287 120.500 -0.030 0.000 2.159 329 R HA -0.263 4.077 4.340 0.000 0.000 0.252 329 R C 2.202 178.481 176.300 -0.034 0.000 1.144 329 R CA 2.254 58.338 56.100 -0.027 0.000 0.961 329 R CB -0.644 29.640 30.300 -0.027 0.000 0.877 329 R HN 0.465 nan 8.270 nan 0.000 0.444 330 A N 0.983 123.776 122.820 -0.045 0.000 1.903 330 A HA -0.280 4.040 4.320 0.000 0.000 0.219 330 A C 1.865 179.423 177.584 -0.044 0.000 1.191 330 A CA 2.090 54.095 52.037 -0.052 0.000 0.638 330 A CB -0.873 18.091 19.000 -0.059 0.000 0.823 330 A HN 0.584 nan 8.150 nan 0.000 0.451 331 N N -0.143 118.535 118.700 -0.036 0.000 2.120 331 N HA -0.116 4.624 4.740 0.000 0.000 0.188 331 N C 1.805 177.301 175.510 -0.023 0.000 1.024 331 N CA 1.636 54.669 53.050 -0.028 0.000 0.852 331 N CB -0.466 38.008 38.487 -0.022 0.000 1.003 331 N HN 0.315 nan 8.380 nan 0.000 0.424 332 V N 2.145 122.047 119.914 -0.021 0.000 2.244 332 V HA -0.181 3.939 4.120 0.000 0.000 0.244 332 V C 2.445 178.529 176.094 -0.017 0.000 1.042 332 V CA 1.329 63.620 62.300 -0.015 0.000 1.006 332 V CB -0.329 31.487 31.823 -0.012 0.000 0.641 332 V HN 0.248 nan 8.190 nan 0.000 0.446 333 M N 0.225 119.811 119.600 -0.023 0.000 2.296 333 M HA -0.025 4.455 4.480 0.000 0.000 0.265 333 M C 2.276 178.553 176.300 -0.037 0.000 1.064 333 M CA 1.758 57.042 55.300 -0.026 0.000 1.109 333 M CB -1.796 30.781 32.600 -0.037 0.000 1.396 333 M HN 0.449 nan 8.290 nan 0.000 0.430 334 G N 0.468 109.243 108.800 -0.043 0.000 2.421 334 G HA2 -0.271 3.690 3.960 0.000 0.000 0.216 334 G HA3 -0.271 3.690 3.960 0.000 0.000 0.216 334 G C 1.228 176.110 174.900 -0.030 0.000 1.171 334 G CA 1.375 46.447 45.100 -0.047 0.000 0.775 334 G HN 0.466 nan 8.290 nan 0.000 0.543 335 D N 0.010 120.398 120.400 -0.020 0.000 2.097 335 D HA -0.117 4.524 4.640 0.000 0.000 0.195 335 D C 2.379 178.676 176.300 -0.006 0.000 0.989 335 D CA 1.100 55.093 54.000 -0.011 0.000 0.827 335 D CB -0.195 40.601 40.800 -0.007 0.000 0.966 335 D HN 0.276 nan 8.370 nan 0.000 0.456 336 R N -0.109 120.388 120.500 -0.005 0.000 2.103 336 R HA -0.139 4.201 4.340 0.000 0.000 0.234 336 R C 2.561 178.866 176.300 0.009 0.000 1.132 336 R CA 1.441 57.544 56.100 0.004 0.000 0.925 336 R CB -0.739 29.565 30.300 0.007 0.000 0.842 336 R HN 0.298 nan 8.270 nan 0.000 0.430 337 L N 0.744 121.968 121.223 0.002 0.000 2.013 337 L HA -0.280 4.060 4.340 0.000 0.000 0.212 337 L C 2.865 179.740 176.870 0.008 0.000 1.073 337 L CA 1.921 56.767 54.840 0.009 0.000 0.753 337 L CB -0.465 41.572 42.059 -0.037 0.000 0.890 337 L HN 0.367 nan 8.230 nan 0.000 0.432 338 R N -0.119 120.377 120.500 -0.005 0.000 2.115 338 R HA -0.253 4.087 4.340 0.000 0.000 0.239 338 R C 2.387 178.692 176.300 0.008 0.000 1.133 338 R CA 2.132 58.231 56.100 -0.001 0.000 0.935 338 R CB -0.264 30.033 30.300 -0.006 0.000 0.853 338 R HN 0.334 nan 8.270 nan 0.000 0.433 339 R N -0.736 119.768 120.500 0.008 0.000 2.091 339 R HA -0.102 4.239 4.340 0.000 0.000 0.238 339 R C 2.407 178.715 176.300 0.014 0.000 1.136 339 R CA 1.370 57.476 56.100 0.009 0.000 0.959 339 R CB -0.555 29.749 30.300 0.007 0.000 0.856 339 R HN 0.488 nan 8.270 nan 0.000 0.437 340 G N 1.034 109.846 108.800 0.020 0.000 2.418 340 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 340 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 340 G C 1.441 176.360 174.900 0.033 0.000 1.158 340 G CA 0.412 45.528 45.100 0.027 0.000 0.771 340 G HN 0.137 nan 8.290 nan 0.000 0.545 341 L N -0.240 121.004 121.223 0.035 0.000 2.046 341 L HA -0.018 4.322 4.340 0.000 0.000 0.208 341 L C 2.894 179.786 176.870 0.037 0.000 1.077 341 L CA 0.552 55.416 54.840 0.040 0.000 0.747 341 L CB -0.373 41.705 42.059 0.033 0.000 0.896 341 L HN 0.200 nan 8.230 nan 0.000 0.432 342 L N -0.630 120.607 121.223 0.024 0.000 2.046 342 L HA -0.242 4.098 4.340 0.000 0.000 0.208 342 L C 2.249 179.127 176.870 0.013 0.000 1.077 342 L CA 1.195 56.046 54.840 0.019 0.000 0.747 342 L CB -0.729 41.337 42.059 0.012 0.000 0.896 342 L HN 0.244 nan 8.230 nan 0.000 0.432 343 D N 0.198 120.601 120.400 0.006 0.000 2.123 343 D HA -0.177 4.463 4.640 0.000 0.000 0.196 343 D C 2.402 178.685 176.300 -0.028 0.000 0.992 343 D CA 1.298 55.290 54.000 -0.015 0.000 0.833 343 D CB -0.222 40.568 40.800 -0.017 0.000 0.954 343 D HN 0.294 nan 8.370 nan 0.000 0.455 344 L N 0.379 121.610 121.223 0.014 0.000 2.042 344 L HA -0.147 4.193 4.340 0.000 0.000 0.210 344 L C 2.633 179.547 176.870 0.073 0.000 1.076 344 L CA 0.897 55.771 54.840 0.058 0.000 0.749 344 L CB -0.384 41.788 42.059 0.188 0.000 0.893 344 L HN 0.048 nan 8.230 nan 0.000 0.432 345 M N -0.355 119.292 119.600 0.078 0.000 2.267 345 M HA -0.242 4.238 4.480 0.000 0.000 0.263 345 M C 2.004 178.323 176.300 0.030 0.000 1.063 345 M CA 1.679 57.027 55.300 0.080 0.000 1.090 345 M CB -0.051 32.583 32.600 0.056 0.000 1.392 345 M HN 0.207 nan 8.290 nan 0.000 0.422 346 E N -0.377 119.813 120.200 -0.017 0.000 2.152 346 E HA -0.172 4.178 4.350 0.000 0.000 0.192 346 E C 1.866 178.406 176.600 -0.100 0.000 0.983 346 E CA 0.858 57.231 56.400 -0.044 0.000 0.818 346 E CB 0.247 29.917 29.700 -0.049 0.000 0.758 346 E HN 0.444 nan 8.360 nan 0.000 0.467 347 R N -0.641 119.736 120.500 -0.206 0.000 2.064 347 R HA 0.099 4.439 4.340 0.000 0.000 0.221 347 R C 0.159 176.231 176.300 -0.379 0.000 1.136 347 R CA 0.772 56.628 56.100 -0.407 0.000 0.980 347 R CB 0.061 29.916 30.300 -0.742 0.000 0.876 347 R HN -0.039 nan 8.270 nan 0.000 0.437 348 F N 0.602 120.559 119.950 0.012 0.000 2.399 348 F HA 0.211 4.738 4.527 0.000 0.000 0.334 348 F C 0.746 176.561 175.800 0.024 0.000 1.097 348 F CA -0.813 57.198 58.000 0.018 0.000 1.076 348 F CB 1.299 40.311 39.000 0.020 0.000 1.162 348 F HN -0.079 nan 8.300 nan 0.000 0.495 349 D N 0.300 120.837 120.400 0.228 0.000 2.354 349 D HA -0.025 4.615 4.640 0.000 0.000 0.209 349 D C 1.931 178.307 176.300 0.128 0.000 1.015 349 D CA 0.481 54.564 54.000 0.138 0.000 0.867 349 D CB -0.327 40.533 40.800 0.100 0.000 0.933 349 D HN 0.587 nan 8.370 nan 0.000 0.520 350 C N -0.033 119.353 119.300 0.143 0.000 2.472 350 C HA 0.251 4.711 4.460 0.000 0.000 0.278 350 C C 1.149 176.203 174.990 0.107 0.000 1.447 350 C CA -0.748 58.329 59.018 0.098 0.000 1.773 350 C CB -1.427 26.342 27.740 0.050 0.000 1.793 350 C HN 0.033 nan 8.230 nan 0.000 0.544 351 I N 2.130 122.780 120.570 0.133 0.000 2.325 351 I HA 0.412 4.583 4.170 0.000 0.000 0.291 351 I C 1.366 177.538 176.117 0.090 0.000 1.019 351 I CA 0.398 61.767 61.300 0.116 0.000 1.302 351 I CB 1.244 39.325 38.000 0.135 0.000 1.401 351 I HN 0.346 nan 8.210 nan 0.000 0.485 352 G N 3.812 112.649 108.800 0.063 0.000 2.850 352 G HA2 0.085 4.045 3.960 0.000 0.000 0.211 352 G HA3 0.085 4.045 3.960 0.000 0.000 0.211 352 G C -0.173 174.657 174.900 -0.118 0.000 1.124 352 G CA 0.230 45.377 45.100 0.078 0.000 0.769 352 G HN 0.551 nan 8.290 nan 0.000 0.535 353 D N -0.963 119.303 120.400 -0.224 0.000 2.803 353 D HA 0.445 5.085 4.640 0.000 0.000 0.218 353 D C -1.354 174.855 176.300 -0.152 0.000 1.245 353 D CA -0.276 53.523 54.000 -0.335 0.000 0.821 353 D CB 2.349 42.631 40.800 -0.864 0.000 1.626 353 D HN -0.115 nan 8.370 nan 0.000 0.487 354 V N 4.035 123.891 119.914 -0.096 0.000 2.409 354 V HA 0.631 4.751 4.120 0.000 0.000 0.290 354 V C -0.038 176.036 176.094 -0.034 0.000 1.017 354 V CA -0.578 61.700 62.300 -0.038 0.000 0.841 354 V CB 1.234 33.052 31.823 -0.008 0.000 1.003 354 V HN 0.594 nan 8.190 nan 0.000 0.426 355 R N 3.274 123.759 120.500 -0.025 0.000 2.885 355 R HA 0.998 5.338 4.340 0.000 0.000 0.260 355 R C 0.055 176.349 176.300 -0.010 0.000 1.107 355 R CA -0.344 55.749 56.100 -0.012 0.000 0.978 355 R CB 2.193 32.491 30.300 -0.003 0.000 1.227 355 R HN 1.130 nan 8.270 nan 0.000 0.473 356 G N 0.117 108.912 108.800 -0.007 0.000 2.343 356 G HA2 0.084 4.045 3.960 0.000 0.000 0.562 356 G HA3 0.084 4.045 3.960 0.000 0.000 0.562 356 G C -1.679 173.213 174.900 -0.012 0.000 1.269 356 G CA -0.597 44.494 45.100 -0.014 0.000 1.011 356 G HN 0.717 nan 8.290 nan 0.000 0.498 357 R N -0.527 119.962 120.500 -0.018 0.000 2.548 357 R HA 0.591 4.931 4.340 0.000 0.000 0.280 357 R C 0.975 177.258 176.300 -0.027 0.000 1.061 357 R CA 1.164 57.254 56.100 -0.016 0.000 0.915 357 R CB 1.289 31.585 30.300 -0.007 0.000 1.210 357 R HN 2.696 nan 8.270 nan 0.000 0.442 358 G N 2.892 111.674 108.800 -0.029 0.000 2.601 358 G HA2 -0.325 3.635 3.960 0.000 0.000 0.306 358 G HA3 -0.325 3.635 3.960 0.000 0.000 0.306 358 G C -0.062 174.803 174.900 -0.058 0.000 1.172 358 G CA 0.335 45.411 45.100 -0.041 0.000 0.966 358 G HN 0.490 nan 8.290 nan 0.000 0.542 359 L N 0.214 121.393 121.223 -0.073 0.000 3.154 359 L HA 0.542 4.882 4.340 0.000 0.000 0.266 359 L C -0.323 176.483 176.870 -0.107 0.000 1.300 359 L CA -0.223 54.553 54.840 -0.106 0.000 1.028 359 L CB 0.748 42.735 42.059 -0.120 0.000 1.412 359 L HN 0.396 nan 8.230 nan 0.000 0.564 360 L N 1.350 122.526 121.223 -0.078 0.000 2.492 360 L HA 0.550 4.890 4.340 0.000 0.000 0.258 360 L C -1.405 175.434 176.870 -0.051 0.000 1.028 360 L CA -0.179 54.622 54.840 -0.064 0.000 0.900 360 L CB 1.173 43.204 42.059 -0.045 0.000 1.191 360 L HN -0.099 nan 8.230 nan 0.000 0.459 361 L N 2.637 123.827 121.223 -0.055 0.000 2.341 361 L HA 0.972 5.312 4.340 0.000 0.000 0.267 361 L C 0.323 177.187 176.870 -0.010 0.000 1.009 361 L CA -0.505 54.315 54.840 -0.034 0.000 0.819 361 L CB 2.086 44.118 42.059 -0.045 0.000 1.323 361 L HN 0.576 nan 8.230 nan 0.000 0.425 362 G N 1.113 109.916 108.800 0.004 0.000 2.542 362 G HA2 0.629 4.589 3.960 0.000 0.000 0.311 362 G HA3 0.629 4.589 3.960 0.000 0.000 0.311 362 G C -1.843 173.086 174.900 0.048 0.000 1.298 362 G CA -0.393 44.725 45.100 0.030 0.000 0.973 362 G HN 0.295 nan 8.290 nan 0.000 0.487 363 V N 1.460 121.444 119.914 0.116 0.000 2.409 363 V HA 0.333 4.454 4.120 0.000 0.000 0.290 363 V C -0.169 176.006 176.094 0.136 0.000 1.017 363 V CA -0.724 61.657 62.300 0.136 0.000 0.841 363 V CB 1.420 33.370 31.823 0.212 0.000 1.003 363 V HN 0.873 nan 8.190 nan 0.000 0.426 364 E N 5.361 125.579 120.200 0.029 0.000 2.089 364 E HA 0.327 4.677 4.350 0.000 0.000 0.284 364 E C -0.551 176.080 176.600 0.050 0.000 1.023 364 E CA -0.614 55.794 56.400 0.014 0.000 0.819 364 E CB 0.668 30.347 29.700 -0.036 0.000 1.076 364 E HN 0.483 nan 8.360 nan 0.000 0.396 365 I N 5.291 125.894 120.570 0.055 0.000 2.416 365 I HA 0.166 4.336 4.170 0.000 0.000 0.288 365 I C 0.113 176.270 176.117 0.066 0.000 1.051 365 I CA -0.068 61.273 61.300 0.069 0.000 1.375 365 I CB 0.813 38.842 38.000 0.047 0.000 1.407 365 I HN 0.352 nan 8.210 nan 0.000 0.516 366 V N 7.363 127.327 119.914 0.084 0.000 2.925 366 V HA 0.334 4.455 4.120 0.000 0.000 0.311 366 V C 0.605 176.739 176.094 0.067 0.000 1.104 366 V CA -0.609 61.744 62.300 0.088 0.000 0.954 366 V CB 2.459 34.364 31.823 0.137 0.000 1.022 366 V HN 0.826 nan 8.190 nan 0.000 0.427 367 K N 3.419 123.849 120.400 0.050 0.000 1.995 367 K HA 0.093 4.413 4.320 0.000 0.000 0.207 367 K C 0.511 177.137 176.600 0.042 0.000 1.041 367 K CA 1.802 58.112 56.287 0.039 0.000 0.942 367 K CB -0.248 32.267 32.500 0.026 0.000 0.731 367 K HN 0.779 nan 8.250 nan 0.000 0.439 368 D N -0.033 120.389 120.400 0.037 0.000 2.329 368 D HA 0.155 4.795 4.640 0.000 0.000 0.232 368 D C -0.125 176.201 176.300 0.043 0.000 1.088 368 D CA -0.208 53.811 54.000 0.033 0.000 0.835 368 D CB 0.839 41.648 40.800 0.016 0.000 1.078 368 D HN 0.098 nan 8.370 nan 0.000 0.495 369 R N 2.932 123.464 120.500 0.054 0.000 2.346 369 R HA 0.079 4.419 4.340 0.000 0.000 0.208 369 R C 0.417 176.747 176.300 0.049 0.000 1.052 369 R CA 0.541 56.684 56.100 0.072 0.000 1.116 369 R CB 0.140 30.488 30.300 0.079 0.000 1.003 369 R HN 0.391 nan 8.270 nan 0.000 0.482 370 R N -3.513 116.999 120.500 0.020 0.000 2.635 370 R HA 0.150 4.490 4.340 0.000 0.000 0.241 370 R C 1.306 177.588 176.300 -0.030 0.000 0.941 370 R CA 0.316 56.414 56.100 -0.004 0.000 1.014 370 R CB 0.500 30.800 30.300 -0.000 0.000 1.517 370 R HN -0.015 nan 8.270 nan 0.000 0.594 371 T N 0.601 115.141 114.554 -0.022 0.000 3.044 371 T HA 0.117 4.467 4.350 0.000 0.000 0.255 371 T C 0.104 174.769 174.700 -0.058 0.000 1.073 371 T CA 0.121 62.199 62.100 -0.037 0.000 1.125 371 T CB 0.138 68.995 68.868 -0.018 0.000 0.908 371 T HN 0.097 nan 8.240 nan 0.000 0.480 372 K N 1.609 121.989 120.400 -0.033 0.000 3.125 372 K HA -0.156 4.164 4.320 0.000 0.000 0.268 372 K C -0.355 176.237 176.600 -0.014 0.000 1.078 372 K CA 0.275 56.541 56.287 -0.034 0.000 0.775 372 K CB -1.357 31.015 32.500 -0.213 0.000 1.253 372 K HN 0.508 nan 8.250 nan 0.000 0.486 373 E N 1.507 121.712 120.200 0.008 0.000 2.194 373 E HA 0.155 4.505 4.350 0.000 0.000 0.284 373 E C -2.377 174.242 176.600 0.032 0.000 1.035 373 E CA -2.360 54.047 56.400 0.011 0.000 0.836 373 E CB 0.865 30.568 29.700 0.005 0.000 1.070 373 E HN -0.071 nan 8.360 nan 0.000 0.401 374 P HA -0.124 nan 4.420 nan 0.000 0.263 374 P C -1.237 176.077 177.300 0.023 0.000 1.168 374 P CA 0.336 63.458 63.100 0.036 0.000 0.759 374 P CB 0.480 32.197 31.700 0.027 0.000 0.782 375 A N 3.284 126.116 122.820 0.020 0.000 2.343 375 A HA 0.130 4.450 4.320 0.000 0.000 0.305 375 A C 0.501 178.081 177.584 -0.006 0.000 1.308 375 A CA -0.427 51.616 52.037 0.010 0.000 0.949 375 A CB -0.452 18.556 19.000 0.013 0.000 1.148 375 A HN 0.602 nan 8.150 nan 0.000 0.545 376 D N 3.023 123.422 120.400 -0.003 0.000 2.342 376 D HA 0.301 4.941 4.640 0.000 0.000 0.260 376 D C 1.141 177.433 176.300 -0.013 0.000 1.278 376 D CA 0.888 54.882 54.000 -0.009 0.000 0.910 376 D CB 0.367 41.164 40.800 -0.004 0.000 1.079 376 D HN 0.956 nan 8.370 nan 0.000 0.496 377 G N 3.647 112.434 108.800 -0.022 0.000 2.507 377 G HA2 -0.405 3.555 3.960 0.000 0.000 0.240 377 G HA3 -0.405 3.555 3.960 0.000 0.000 0.240 377 G C 1.000 175.888 174.900 -0.020 0.000 1.119 377 G CA 0.420 45.507 45.100 -0.022 0.000 0.664 377 G HN 0.591 nan 8.290 nan 0.000 0.516 378 L N 2.174 123.389 121.223 -0.013 0.000 2.064 378 L HA 0.025 4.365 4.340 0.000 0.000 0.216 378 L C 2.720 179.592 176.870 0.005 0.000 1.077 378 L CA 3.285 58.122 54.840 -0.005 0.000 0.766 378 L CB -1.193 40.866 42.059 -0.000 0.000 0.890 378 L HN 0.678 nan 8.230 nan 0.000 0.435 379 G N -1.115 107.668 108.800 -0.029 0.000 2.587 379 G HA2 -0.334 3.626 3.960 0.000 0.000 0.217 379 G HA3 -0.334 3.626 3.960 0.000 0.000 0.217 379 G C 1.639 176.531 174.900 -0.013 0.000 1.240 379 G CA 1.704 46.758 45.100 -0.077 0.000 0.794 379 G HN 0.745 nan 8.290 nan 0.000 0.580 380 A N 0.431 123.228 122.820 -0.037 0.000 1.940 380 A HA -0.197 4.123 4.320 0.000 0.000 0.221 380 A C 2.318 179.915 177.584 0.021 0.000 1.190 380 A CA 2.406 54.437 52.037 -0.010 0.000 0.647 380 A CB -0.480 18.508 19.000 -0.021 0.000 0.821 380 A HN 0.408 nan 8.150 nan 0.000 0.457 381 K N -0.656 119.754 120.400 0.018 0.000 1.985 381 K HA -0.105 4.215 4.320 0.000 0.000 0.210 381 K C 1.981 178.602 176.600 0.035 0.000 1.047 381 K CA 1.634 57.930 56.287 0.016 0.000 0.932 381 K CB -0.426 32.076 32.500 0.003 0.000 0.716 381 K HN 0.586 nan 8.250 nan 0.000 0.439 382 I N 1.202 121.815 120.570 0.072 0.000 2.163 382 I HA -0.270 3.900 4.170 0.000 0.000 0.243 382 I C 2.229 178.416 176.117 0.117 0.000 1.085 382 I CA 1.564 62.917 61.300 0.088 0.000 1.347 382 I CB -1.371 36.750 38.000 0.202 0.000 1.044 382 I HN 0.238 nan 8.210 nan 0.000 0.408 383 T N 0.708 115.399 114.554 0.229 0.000 2.699 383 T HA -0.267 4.083 4.350 0.000 0.000 0.268 383 T C 1.998 176.752 174.700 0.090 0.000 1.036 383 T CA 1.820 64.052 62.100 0.221 0.000 1.147 383 T CB -0.480 68.496 68.868 0.182 0.000 0.862 383 T HN 0.371 nan 8.240 nan 0.000 0.446 384 R N 0.998 121.532 120.500 0.057 0.000 2.081 384 R HA -0.102 4.238 4.340 0.000 0.000 0.235 384 R C 2.221 178.526 176.300 0.009 0.000 1.131 384 R CA 1.331 57.446 56.100 0.025 0.000 0.960 384 R CB -0.072 30.236 30.300 0.013 0.000 0.856 384 R HN 0.345 nan 8.270 nan 0.000 0.436 385 E N 0.168 120.368 120.200 0.001 0.000 2.208 385 E HA -0.131 4.219 4.350 0.000 0.000 0.193 385 E C 2.158 178.739 176.600 -0.031 0.000 0.988 385 E CA 0.877 57.266 56.400 -0.019 0.000 0.828 385 E CB -0.267 29.416 29.700 -0.029 0.000 0.763 385 E HN 0.428 nan 8.360 nan 0.000 0.478 386 C N 1.088 120.367 119.300 -0.036 0.000 2.413 386 C HA -0.134 4.326 4.460 0.000 0.000 0.276 386 C C 2.741 177.705 174.990 -0.043 0.000 1.236 386 C CA 0.544 59.523 59.018 -0.065 0.000 1.735 386 C CB -0.745 26.947 27.740 -0.080 0.000 2.031 386 C HN 0.411 nan 8.230 nan 0.000 0.474 387 M N 1.059 120.651 119.600 -0.014 0.000 2.084 387 M HA -0.124 4.356 4.480 0.000 0.000 0.259 387 M C 1.940 178.234 176.300 -0.010 0.000 1.072 387 M CA 1.730 57.028 55.300 -0.004 0.000 1.107 387 M CB -1.850 30.759 32.600 0.015 0.000 1.299 387 M HN 0.361 nan 8.290 nan 0.000 0.413 388 N N 0.657 119.351 118.700 -0.010 0.000 2.133 388 N HA -0.164 4.577 4.740 0.000 0.000 0.193 388 N C 1.699 177.198 175.510 -0.017 0.000 1.012 388 N CA 1.205 54.247 53.050 -0.012 0.000 0.871 388 N CB -0.517 37.962 38.487 -0.014 0.000 1.011 388 N HN 0.385 nan 8.380 nan 0.000 0.435 389 L N -1.584 119.624 121.223 -0.026 0.000 2.418 389 L HA 0.103 4.443 4.340 0.000 0.000 0.218 389 L C 1.132 177.982 176.870 -0.034 0.000 1.125 389 L CA 0.600 55.420 54.840 -0.033 0.000 0.835 389 L CB -0.163 41.867 42.059 -0.048 0.000 0.953 389 L HN 0.332 nan 8.230 nan 0.000 0.454 390 G N 0.481 109.263 108.800 -0.030 0.000 2.135 390 G HA2 -0.198 3.762 3.960 0.000 0.000 0.183 390 G HA3 -0.198 3.762 3.960 0.000 0.000 0.183 390 G C -0.279 174.601 174.900 -0.034 0.000 1.004 390 G CA -0.422 44.667 45.100 -0.019 0.000 0.677 390 G HN 0.146 nan 8.290 nan 0.000 0.512 391 L N 1.739 122.918 121.223 -0.072 0.000 2.343 391 L HA 0.730 5.070 4.340 0.000 0.000 0.278 391 L C 0.270 177.096 176.870 -0.073 0.000 0.996 391 L CA -0.594 54.164 54.840 -0.136 0.000 0.831 391 L CB 1.766 43.686 42.059 -0.232 0.000 1.232 391 L HN 0.221 nan 8.230 nan 0.000 0.413 392 S N 6.343 122.024 115.700 -0.032 0.000 2.499 392 S HA 0.601 5.071 4.470 0.000 0.000 0.275 392 S C -0.172 174.472 174.600 0.073 0.000 1.257 392 S CA -0.516 57.703 58.200 0.031 0.000 1.050 392 S CB 0.454 63.685 63.200 0.053 0.000 0.937 392 S HN 0.606 nan 8.310 nan 0.000 0.490 393 M N 3.821 123.476 119.600 0.093 0.000 2.719 393 M HA 0.488 4.968 4.480 0.000 0.000 0.291 393 M C -0.630 175.770 176.300 0.167 0.000 1.264 393 M CA -0.707 54.686 55.300 0.155 0.000 0.811 393 M CB 1.953 34.654 32.600 0.170 0.000 1.756 393 M HN 0.789 nan 8.290 nan 0.000 0.464 394 N N 0.803 119.633 118.700 0.216 0.000 2.503 394 N HA 0.475 5.215 4.740 0.000 0.000 0.287 394 N C -2.185 173.382 175.510 0.095 0.000 1.096 394 N CA -0.251 52.872 53.050 0.121 0.000 0.936 394 N CB 2.558 41.078 38.487 0.055 0.000 1.570 394 N HN 0.691 nan 8.380 nan 0.000 0.504 395 I N 3.699 124.242 120.570 -0.046 0.000 2.493 395 I HA 0.466 4.636 4.170 0.000 0.000 0.298 395 I C -0.598 175.419 176.117 -0.166 0.000 0.998 395 I CA -0.769 60.382 61.300 -0.249 0.000 1.137 395 I CB 1.643 39.313 38.000 -0.549 0.000 1.310 395 I HN 0.299 nan 8.210 nan 0.000 0.445 396 V N 4.451 124.269 119.914 -0.160 0.000 2.581 396 V HA 0.632 4.752 4.120 0.000 0.000 0.303 396 V C -0.987 175.045 176.094 -0.103 0.000 1.041 396 V CA -0.446 61.788 62.300 -0.110 0.000 0.907 396 V CB 1.646 33.413 31.823 -0.094 0.000 0.994 396 V HN 0.882 nan 8.190 nan 0.000 0.442 397 Q N 3.417 123.176 119.800 -0.068 0.000 2.309 397 Q HA 0.764 5.104 4.340 0.000 0.000 0.270 397 Q C -1.733 174.258 176.000 -0.013 0.000 1.023 397 Q CA -0.266 55.508 55.803 -0.048 0.000 0.758 397 Q CB 1.698 30.404 28.738 -0.053 0.000 1.247 397 Q HN 0.939 nan 8.270 nan 0.000 0.455 398 L N 4.606 125.830 121.223 0.001 0.000 2.303 398 L HA 0.736 5.076 4.340 0.000 0.000 0.266 398 L C -2.135 174.757 176.870 0.035 0.000 1.011 398 L CA -2.100 52.754 54.840 0.023 0.000 0.818 398 L CB 1.467 43.538 42.059 0.021 0.000 1.326 398 L HN 0.639 nan 8.230 nan 0.000 0.435 399 P HA 0.155 nan 4.420 nan 0.000 0.267 399 P C 0.707 178.043 177.300 0.060 0.000 1.205 399 P CA 0.485 63.613 63.100 0.047 0.000 0.765 399 P CB 0.585 32.315 31.700 0.050 0.000 0.828 400 G N 1.879 110.711 108.800 0.053 0.000 2.189 400 G HA2 -0.268 3.692 3.960 0.000 0.000 0.267 400 G HA3 -0.268 3.692 3.960 0.000 0.000 0.267 400 G C 0.081 175.033 174.900 0.087 0.000 0.975 400 G CA 0.432 45.568 45.100 0.060 0.000 0.644 400 G HN 0.518 nan 8.290 nan 0.000 0.537 401 M N -0.238 119.423 119.600 0.101 0.000 2.761 401 M HA 0.634 5.114 4.480 0.000 0.000 0.305 401 M C 0.866 177.226 176.300 0.099 0.000 1.235 401 M CA -0.345 55.045 55.300 0.150 0.000 0.850 401 M CB 1.753 34.474 32.600 0.202 0.000 1.744 401 M HN 0.181 nan 8.290 nan 0.000 0.480 402 G N -0.282 108.592 108.800 0.123 0.000 2.528 402 G HA2 0.543 4.503 3.960 0.000 0.000 0.289 402 G HA3 0.543 4.503 3.960 0.000 0.000 0.289 402 G C -0.140 174.768 174.900 0.013 0.000 1.192 402 G CA -0.688 44.454 45.100 0.069 0.000 0.921 402 G HN 0.868 nan 8.290 nan 0.000 0.512 403 G N -1.307 107.462 108.800 -0.052 0.000 2.340 403 G HA2 0.406 4.366 3.960 0.000 0.000 0.245 403 G HA3 0.406 4.366 3.960 0.000 0.000 0.245 403 G C -0.350 174.427 174.900 -0.204 0.000 1.294 403 G CA -0.072 44.937 45.100 -0.153 0.000 0.896 403 G HN 0.622 nan 8.290 nan 0.000 0.522 404 V N 3.308 123.094 119.914 -0.213 0.000 2.417 404 V HA 0.335 4.455 4.120 0.000 0.000 0.291 404 V C -0.429 175.530 176.094 -0.224 0.000 1.024 404 V CA -0.700 61.499 62.300 -0.168 0.000 0.861 404 V CB 1.321 33.102 31.823 -0.070 0.000 0.985 404 V HN 0.600 nan 8.190 nan 0.000 0.436 405 F N 4.360 124.304 119.950 -0.010 0.000 2.413 405 F HA 0.429 4.956 4.527 0.000 0.000 0.359 405 F C 1.177 176.969 175.800 -0.012 0.000 1.122 405 F CA -0.329 57.669 58.000 -0.004 0.000 1.160 405 F CB 0.648 39.654 39.000 0.011 0.000 1.146 405 F HN 0.315 nan 8.300 nan 0.000 0.514 406 R N 5.545 126.134 120.500 0.149 0.000 2.216 406 R HA 0.438 4.778 4.340 0.000 0.000 0.332 406 R C -0.660 175.686 176.300 0.078 0.000 1.056 406 R CA -0.243 55.897 56.100 0.066 0.000 0.901 406 R CB 0.741 31.041 30.300 0.000 0.000 1.039 406 R HN 0.584 nan 8.270 nan 0.000 0.456 407 I N 1.877 122.465 120.570 0.031 0.000 2.362 407 I HA 0.485 4.655 4.170 0.000 0.000 0.289 407 I C -0.085 175.951 176.117 -0.134 0.000 0.994 407 I CA -0.721 60.558 61.300 -0.035 0.000 1.158 407 I CB 1.883 39.864 38.000 -0.031 0.000 1.315 407 I HN 0.624 nan 8.210 nan 0.000 0.451 408 A N 7.992 130.696 122.820 -0.193 0.000 2.686 408 A HA 0.629 4.950 4.320 0.000 0.000 0.299 408 A C -2.972 174.471 177.584 -0.235 0.000 1.151 408 A CA -0.884 51.035 52.037 -0.197 0.000 0.851 408 A CB 0.809 19.742 19.000 -0.111 0.000 1.448 408 A HN 0.338 nan 8.150 nan 0.000 0.404 409 P HA 0.562 nan 4.420 nan 0.000 0.284 409 P C -2.859 174.328 177.300 -0.190 0.000 1.292 409 P CA -1.788 61.120 63.100 -0.320 0.000 0.800 409 P CB 0.069 31.456 31.700 -0.522 0.000 1.188 410 P HA 0.197 nan 4.420 nan 0.000 0.275 410 P C 1.055 178.301 177.300 -0.089 0.000 1.228 410 P CA 0.118 63.158 63.100 -0.101 0.000 0.786 410 P CB 0.311 31.968 31.700 -0.072 0.000 0.927 411 L N 1.367 122.543 121.223 -0.078 0.000 2.265 411 L HA -0.126 4.214 4.340 0.000 0.000 0.215 411 L C 1.765 178.611 176.870 -0.040 0.000 1.117 411 L CA 1.728 56.527 54.840 -0.067 0.000 0.782 411 L CB -1.293 40.723 42.059 -0.071 0.000 0.914 411 L HN 0.455 nan 8.230 nan 0.000 0.441 412 T N -3.203 111.338 114.554 -0.021 0.000 3.148 412 T HA 0.088 4.438 4.350 0.000 0.000 0.253 412 T C 0.751 175.459 174.700 0.013 0.000 1.134 412 T CA -0.257 61.854 62.100 0.019 0.000 1.051 412 T CB -0.394 68.517 68.868 0.072 0.000 0.959 412 T HN 0.063 nan 8.240 nan 0.000 0.525 413 V N 3.287 123.191 119.914 -0.017 0.000 2.901 413 V HA 0.339 4.459 4.120 0.000 0.000 0.307 413 V C 0.547 176.648 176.094 0.012 0.000 1.084 413 V CA -0.051 62.241 62.300 -0.014 0.000 1.184 413 V CB 0.843 32.637 31.823 -0.048 0.000 0.941 413 V HN 0.737 nan 8.190 nan 0.000 0.493 414 S N 4.342 120.063 115.700 0.035 0.000 2.654 414 S HA 0.401 4.871 4.470 0.000 0.000 0.283 414 S C 0.865 175.495 174.600 0.051 0.000 1.180 414 S CA -0.059 58.170 58.200 0.048 0.000 1.021 414 S CB 1.481 64.724 63.200 0.070 0.000 1.018 414 S HN 0.816 nan 8.310 nan 0.000 0.532 415 E N 1.415 121.642 120.200 0.044 0.000 2.085 415 E HA -0.194 4.156 4.350 0.000 0.000 0.194 415 E C 0.857 177.491 176.600 0.057 0.000 0.994 415 E CA 1.415 57.841 56.400 0.043 0.000 0.801 415 E CB -0.360 29.360 29.700 0.033 0.000 0.743 415 E HN 0.702 nan 8.360 nan 0.000 0.453 416 D N 1.279 121.717 120.400 0.065 0.000 2.117 416 D HA -0.124 4.517 4.640 0.000 0.000 0.198 416 D C 1.900 178.258 176.300 0.096 0.000 0.982 416 D CA 0.956 55.000 54.000 0.074 0.000 0.828 416 D CB -0.111 40.734 40.800 0.075 0.000 0.967 416 D HN 0.343 nan 8.370 nan 0.000 0.464 417 E N 0.658 120.927 120.200 0.115 0.000 2.085 417 E HA -0.140 4.210 4.350 0.000 0.000 0.194 417 E C 2.326 179.016 176.600 0.149 0.000 0.994 417 E CA 0.448 56.925 56.400 0.129 0.000 0.801 417 E CB 0.064 29.815 29.700 0.086 0.000 0.743 417 E HN 0.244 nan 8.360 nan 0.000 0.453 418 I N 2.050 122.714 120.570 0.156 0.000 2.151 418 I HA -0.268 3.902 4.170 0.000 0.000 0.243 418 I C 1.813 178.024 176.117 0.156 0.000 1.080 418 I CA 1.531 62.953 61.300 0.204 0.000 1.339 418 I CB -0.859 37.205 38.000 0.107 0.000 1.039 418 I HN 0.117 nan 8.210 nan 0.000 0.409 419 D N 0.570 121.024 120.400 0.091 0.000 2.144 419 D HA -0.164 4.477 4.640 0.000 0.000 0.199 419 D C 2.113 178.433 176.300 0.034 0.000 0.984 419 D CA 0.830 54.865 54.000 0.058 0.000 0.834 419 D CB -0.297 40.529 40.800 0.045 0.000 0.955 419 D HN 0.179 nan 8.370 nan 0.000 0.465 420 L N 1.019 122.261 121.223 0.033 0.000 2.046 420 L HA -0.006 4.334 4.340 0.000 0.000 0.208 420 L C 2.173 178.985 176.870 -0.097 0.000 1.077 420 L CA 2.039 56.878 54.840 -0.002 0.000 0.747 420 L CB -1.036 41.052 42.059 0.049 0.000 0.896 420 L HN 0.041 nan 8.230 nan 0.000 0.432 421 G N -0.569 108.117 108.800 -0.190 0.000 2.404 421 G HA2 -0.199 3.761 3.960 0.000 0.000 0.215 421 G HA3 -0.199 3.761 3.960 0.000 0.000 0.215 421 G C 1.486 176.235 174.900 -0.252 0.000 1.174 421 G CA 0.674 45.456 45.100 -0.528 0.000 0.780 421 G HN 0.323 nan 8.290 nan 0.000 0.537 422 L N 1.180 122.373 121.223 -0.050 0.000 2.129 422 L HA -0.050 4.290 4.340 0.000 0.000 0.212 422 L C 2.961 179.818 176.870 -0.021 0.000 1.087 422 L CA 1.676 56.518 54.840 0.003 0.000 0.757 422 L CB -1.130 40.957 42.059 0.047 0.000 0.896 422 L HN 0.277 nan 8.230 nan 0.000 0.434 423 S N -0.757 114.923 115.700 -0.033 0.000 2.338 423 S HA -0.082 4.388 4.470 0.000 0.000 0.218 423 S C 2.033 176.611 174.600 -0.036 0.000 1.032 423 S CA 0.856 59.044 58.200 -0.020 0.000 0.999 423 S CB -0.041 63.150 63.200 -0.015 0.000 0.905 423 S HN 0.372 nan 8.310 nan 0.000 0.439 424 L N 1.233 122.409 121.223 -0.078 0.000 2.079 424 L HA -0.122 4.218 4.340 0.000 0.000 0.210 424 L C 2.484 179.291 176.870 -0.105 0.000 1.081 424 L CA 0.926 55.711 54.840 -0.093 0.000 0.752 424 L CB -0.711 41.268 42.059 -0.132 0.000 0.896 424 L HN 0.345 nan 8.230 nan 0.000 0.433 425 L N 0.604 121.747 121.223 -0.134 0.000 2.079 425 L HA -0.085 4.255 4.340 0.000 0.000 0.210 425 L C 2.297 179.116 176.870 -0.085 0.000 1.081 425 L CA 2.133 56.883 54.840 -0.151 0.000 0.752 425 L CB -1.033 40.928 42.059 -0.163 0.000 0.896 425 L HN 0.120 nan 8.230 nan 0.000 0.433 426 G N -1.450 107.357 108.800 0.012 0.000 2.394 426 G HA2 -0.220 3.741 3.960 0.000 0.000 0.214 426 G HA3 -0.220 3.741 3.960 0.000 0.000 0.214 426 G C 1.370 176.328 174.900 0.096 0.000 1.176 426 G CA 0.647 45.840 45.100 0.155 0.000 0.786 426 G HN 0.568 nan 8.290 nan 0.000 0.533 427 Q N 0.512 120.333 119.800 0.035 0.000 2.084 427 Q HA -0.031 4.310 4.340 0.000 0.000 0.202 427 Q C 2.961 178.942 176.000 -0.032 0.000 0.978 427 Q CA 1.320 57.133 55.803 0.017 0.000 0.844 427 Q CB -0.358 28.380 28.738 0.000 0.000 0.898 427 Q HN 0.445 nan 8.270 nan 0.000 0.426 428 A N 1.386 124.164 122.820 -0.070 0.000 1.908 428 A HA -0.184 4.136 4.320 0.000 0.000 0.218 428 A C 2.109 179.610 177.584 -0.138 0.000 1.181 428 A CA 1.236 53.218 52.037 -0.092 0.000 0.627 428 A CB -0.674 18.262 19.000 -0.107 0.000 0.818 428 A HN 0.297 nan 8.150 nan 0.000 0.445 429 I N 0.188 120.619 120.570 -0.232 0.000 2.113 429 I HA -0.297 3.873 4.170 0.000 0.000 0.238 429 I C 2.709 178.563 176.117 -0.437 0.000 1.070 429 I CA 1.989 63.020 61.300 -0.448 0.000 1.332 429 I CB -0.864 36.584 38.000 -0.920 0.000 1.044 429 I HN 0.693 nan 8.210 nan 0.000 0.402 430 E N 2.025 122.042 120.200 -0.305 0.000 2.160 430 E HA -0.302 4.048 4.350 0.000 0.000 0.195 430 E C 2.282 178.865 176.600 -0.028 0.000 0.991 430 E CA 1.394 57.769 56.400 -0.043 0.000 0.810 430 E CB -0.404 29.427 29.700 0.219 0.000 0.742 430 E HN 0.463 nan 8.360 nan 0.000 0.466 431 R N 0.606 121.081 120.500 -0.043 0.000 2.193 431 R HA 0.063 4.403 4.340 0.000 0.000 0.213 431 R C 2.097 178.375 176.300 -0.037 0.000 1.055 431 R CA 0.981 57.066 56.100 -0.026 0.000 0.995 431 R CB -0.150 30.137 30.300 -0.022 0.000 0.893 431 R HN 0.239 nan 8.270 nan 0.000 0.459 432 A N 1.008 123.787 122.820 -0.068 0.000 2.067 432 A HA 0.153 4.473 4.320 0.000 0.000 0.217 432 A C 0.986 178.542 177.584 -0.047 0.000 1.156 432 A CA 0.270 52.274 52.037 -0.056 0.000 0.683 432 A CB -0.139 18.821 19.000 -0.067 0.000 0.808 432 A HN 0.229 nan 8.150 nan 0.000 0.455 433 L N 0.000 121.190 121.223 -0.055 0.000 2.949 433 L HA 0.000 4.340 4.340 0.000 0.000 0.249 433 L CA 0.000 54.823 54.840 -0.029 0.000 0.813 433 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502