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 3k0s_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAIENFDAHT PMMQQYLRLK AQHPEILLFY RMGDFYELFY DDAKRASQLL DATA SEQUENCE DISLTKRGAS AGEPIPMAGI PYHAVENYLA KLVNQGESVA ICEQIGDPAT DATA SEQUENCE SKGPVERKVV RIVTPGTISD EALLQERQDN LLAAIWQDSK GFGYATLDIS DATA SEQUENCE SGRFRLSEPA DRETMAAELQ RTNPAELLYA EDFAEMSLIE GRRGLRRRPL DATA SEQUENCE WEFEIDTARQ QLNLQFGTRD LVGFGVENAP RGLCAAGCLL QYAKDTQRTT DATA SEQUENCE LPHIRSITME REQDSIIMDA ATRRNLEITQ NLAGGAENTL ASVLDCTVTP DATA SEQUENCE MGSRMLKRWL HMPVRDTRVL LERQQTIGAL QDFTAGLQPV LRQVGDLERI DATA SEQUENCE LARLALRTAR PRDLARMRHA FQQLPELRAQ LETVDSAPVQ ALREKMGEFA DATA SEQUENCE ELRDLLERAI IDTPPVLVRD GGVIASGYNE ELDEWRALAD GATDYLERLE DATA SEQUENCE VRERERTGLD TLKVGFNAVH GYYIQISRGQ SHLAPINYMR RQTLKNAERY DATA SEQUENCE IIPELKEYED KVLTSKGKAL ALEKQLYEEL FDLLLPHLEA LQQSASALAE DATA SEQUENCE LDVLVNLAER AYTLNYTCPT FIDKPGIRIT EGRHPVVEQV LNEPFIANPL DATA SEQUENCE NLSPQRRMLI ITGPNMGGKS TYMRQTALIA LMAYIGSYVP AQKVEIGPID DATA SEQUENCE RIFTRVXXXX XXXXXXXXFM VEMTETANIL HNATEYSLVL MNEIGRGTST DATA SEQUENCE YDGLSLAWAC AENLANKIKA LTLFATHYFE LTQLPEKMEG VANVHLDALE DATA SEQUENCE HGDTIAFMHS VQDGAASKSY GLAVAALAGV PKEVIKRARQ KLRELESIS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.606 174.600 0.009 0.000 1.055 2 S CA 0.000 58.208 58.200 0.014 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 A N 2.535 125.363 122.820 0.013 0.000 2.511 3 A HA 0.471 4.797 4.320 0.010 0.000 0.242 3 A C -0.072 177.508 177.584 -0.007 0.000 1.069 3 A CA 0.211 52.250 52.037 0.003 0.000 0.763 3 A CB -0.506 18.501 19.000 0.010 0.000 1.001 3 A HN 0.564 nan 8.150 nan 0.000 0.498 4 I N 2.652 123.209 120.570 -0.023 0.000 2.363 4 I HA 0.068 4.244 4.170 0.010 0.000 0.292 4 I C 0.416 176.489 176.117 -0.074 0.000 1.075 4 I CA 0.207 61.488 61.300 -0.032 0.000 1.333 4 I CB 0.572 38.555 38.000 -0.027 0.000 1.415 4 I HN 0.664 nan 8.210 nan 0.000 0.502 5 E N 6.385 126.547 120.200 -0.062 0.000 2.354 5 E HA 0.060 4.416 4.350 0.010 0.000 0.252 5 E C -0.205 176.303 176.600 -0.152 0.000 1.330 5 E CA -0.304 56.011 56.400 -0.142 0.000 1.658 5 E CB -0.338 29.411 29.700 0.082 0.000 1.460 5 E HN 0.610 nan 8.360 nan 0.000 0.435 6 N N 0.319 118.937 118.700 -0.137 0.000 2.381 6 N HA -0.090 4.655 4.740 0.010 0.000 0.241 6 N C 0.821 176.308 175.510 -0.039 0.000 1.279 6 N CA -0.238 52.796 53.050 -0.027 0.000 0.896 6 N CB 0.877 39.364 38.487 -0.001 0.000 1.118 6 N HN 0.021 nan 8.380 nan 0.000 0.438 7 F N 0.771 120.725 119.950 0.006 0.000 2.043 7 F HA -0.261 4.271 4.527 0.009 0.000 0.297 7 F C 1.558 177.374 175.800 0.025 0.000 1.118 7 F CA 1.988 60.038 58.000 0.084 0.000 1.202 7 F CB -0.172 38.866 39.000 0.062 0.000 0.965 7 F HN 0.438 nan 8.300 nan 0.000 0.482 8 D N 0.151 120.687 120.400 0.226 0.000 2.309 8 D HA -0.107 4.539 4.640 0.010 0.000 0.212 8 D C 2.089 178.359 176.300 -0.050 0.000 0.968 8 D CA 1.103 55.167 54.000 0.107 0.000 0.882 8 D CB -0.475 40.395 40.800 0.117 0.000 0.918 8 D HN 0.406 nan 8.370 nan 0.000 0.503 9 A N -0.182 122.540 122.820 -0.163 0.000 2.167 9 A HA -0.040 4.286 4.320 0.010 0.000 0.214 9 A C 0.510 177.927 177.584 -0.278 0.000 1.151 9 A CA 0.382 52.278 52.037 -0.235 0.000 0.735 9 A CB -0.400 18.424 19.000 -0.293 0.000 0.802 9 A HN 0.283 nan 8.150 nan 0.000 0.467 10 H N 0.064 119.050 119.070 -0.139 0.000 2.467 10 H HA 0.388 4.950 4.556 0.010 0.000 0.331 10 H C 0.782 175.999 175.328 -0.186 0.000 1.120 10 H CA 0.136 56.079 56.048 -0.175 0.000 1.270 10 H CB 1.073 30.686 29.762 -0.248 0.000 1.466 10 H HN 0.264 nan 8.280 nan 0.000 0.504 11 T N 0.532 115.081 114.554 -0.008 0.000 2.855 11 T HA -0.015 4.340 4.350 0.010 0.000 0.314 11 T C -1.653 172.999 174.700 -0.080 0.000 1.077 11 T CA -1.415 60.654 62.100 -0.051 0.000 1.095 11 T CB 0.741 69.572 68.868 -0.061 0.000 0.987 11 T HN 0.370 nan 8.240 nan 0.000 0.546 12 P HA -0.132 nan 4.420 nan 0.000 0.217 12 P C 1.817 179.104 177.300 -0.022 0.000 1.148 12 P CA 1.079 64.158 63.100 -0.035 0.000 0.828 12 P CB -0.088 31.616 31.700 0.006 0.000 0.783 13 M N -1.710 117.873 119.600 -0.029 0.000 2.065 13 M HA -0.185 4.301 4.480 0.010 0.000 0.259 13 M C 1.567 177.823 176.300 -0.073 0.000 1.069 13 M CA 2.100 57.391 55.300 -0.015 0.000 1.110 13 M CB -0.319 32.242 32.600 -0.065 0.000 1.328 13 M HN -0.141 nan 8.290 nan 0.000 0.405 14 M N 0.049 119.550 119.600 -0.165 0.000 2.254 14 M HA -0.112 4.373 4.480 0.010 0.000 0.265 14 M C 1.931 178.106 176.300 -0.207 0.000 1.066 14 M CA 1.491 56.654 55.300 -0.228 0.000 1.123 14 M CB -1.412 31.019 32.600 -0.282 0.000 1.388 14 M HN 0.397 nan 8.290 nan 0.000 0.425 15 Q N -0.136 119.533 119.800 -0.218 0.000 2.050 15 Q HA -0.241 4.105 4.340 0.010 0.000 0.202 15 Q C 2.157 178.129 176.000 -0.046 0.000 0.980 15 Q CA 1.683 57.324 55.803 -0.269 0.000 0.840 15 Q CB -0.344 28.117 28.738 -0.462 0.000 0.898 15 Q HN 0.600 nan 8.270 nan 0.000 0.424 16 Q N 0.035 119.854 119.800 0.031 0.000 2.030 16 Q HA -0.251 4.094 4.340 0.010 0.000 0.204 16 Q C 2.033 178.115 176.000 0.137 0.000 0.986 16 Q CA 1.692 57.575 55.803 0.133 0.000 0.843 16 Q CB -0.242 28.620 28.738 0.207 0.000 0.904 16 Q HN 0.448 nan 8.270 nan 0.000 0.420 17 Y N 0.889 121.141 120.300 -0.080 0.000 2.070 17 Y HA -0.264 4.292 4.550 0.010 0.000 0.280 17 Y C 1.910 177.735 175.900 -0.124 0.000 1.148 17 Y CA 1.978 59.899 58.100 -0.299 0.000 1.125 17 Y CB -0.427 37.626 38.460 -0.679 0.000 0.975 17 Y HN 0.129 nan 8.280 nan 0.000 0.492 18 L N 0.205 121.377 121.223 -0.086 0.000 2.081 18 L HA -0.272 4.073 4.340 0.010 0.000 0.212 18 L C 2.778 179.569 176.870 -0.131 0.000 1.080 18 L CA 1.849 56.600 54.840 -0.148 0.000 0.754 18 L CB -0.597 41.382 42.059 -0.134 0.000 0.893 18 L HN 0.240 nan 8.230 nan 0.000 0.433 19 R N 0.454 120.923 120.500 -0.051 0.000 2.081 19 R HA -0.154 4.192 4.340 0.010 0.000 0.235 19 R C 2.316 178.598 176.300 -0.030 0.000 1.131 19 R CA 1.362 57.464 56.100 0.004 0.000 0.960 19 R CB -0.150 30.197 30.300 0.078 0.000 0.856 19 R HN 0.292 nan 8.270 nan 0.000 0.436 20 L N 0.528 121.732 121.223 -0.031 0.000 2.072 20 L HA -0.117 4.229 4.340 0.010 0.000 0.205 20 L C 2.530 179.381 176.870 -0.032 0.000 1.079 20 L CA 1.181 56.031 54.840 0.017 0.000 0.752 20 L CB -0.403 41.746 42.059 0.150 0.000 0.906 20 L HN 0.104 nan 8.230 nan 0.000 0.436 21 K N 1.003 121.274 120.400 -0.215 0.000 2.063 21 K HA -0.151 4.175 4.320 0.010 0.000 0.208 21 K C 2.001 178.555 176.600 -0.077 0.000 1.048 21 K CA 1.666 57.841 56.287 -0.187 0.000 0.928 21 K CB -0.410 31.829 32.500 -0.435 0.000 0.713 21 K HN 0.218 nan 8.250 nan 0.000 0.442 22 A N 0.611 123.372 122.820 -0.099 0.000 2.019 22 A HA -0.207 4.119 4.320 0.010 0.000 0.219 22 A C 2.098 179.613 177.584 -0.117 0.000 1.164 22 A CA 1.703 53.697 52.037 -0.072 0.000 0.644 22 A CB -0.623 18.347 19.000 -0.050 0.000 0.805 22 A HN 0.622 nan 8.150 nan 0.000 0.449 23 Q N -0.542 119.129 119.800 -0.216 0.000 2.437 23 Q HA -0.134 4.212 4.340 0.010 0.000 0.210 23 Q C -0.386 175.136 176.000 -0.797 0.000 0.972 23 Q CA 0.934 56.462 55.803 -0.458 0.000 0.903 23 Q CB -0.022 28.426 28.738 -0.484 0.000 0.967 23 Q HN 0.857 nan 8.270 nan 0.000 0.486 24 H N -1.800 117.267 119.070 -0.006 0.000 2.695 24 H HA 0.183 4.745 4.556 0.009 0.000 0.222 24 H C -2.320 173.013 175.328 0.007 0.000 1.412 24 H CA -1.513 54.536 56.048 0.003 0.000 1.347 24 H CB 1.106 30.866 29.762 -0.003 0.000 1.858 24 H HN 0.185 nan 8.280 nan 0.000 0.519 25 P HA -0.136 nan 4.420 nan 0.000 0.219 25 P C 1.253 178.597 177.300 0.072 0.000 1.146 25 P CA 1.281 64.414 63.100 0.055 0.000 0.808 25 P CB 0.574 32.295 31.700 0.034 0.000 0.779 26 E N -0.813 119.437 120.200 0.082 0.000 2.498 26 E HA 0.166 4.522 4.350 0.010 0.000 0.203 26 E C 1.028 177.672 176.600 0.073 0.000 1.013 26 E CA -0.057 56.387 56.400 0.073 0.000 0.927 26 E CB 0.309 30.048 29.700 0.065 0.000 1.012 26 E HN 0.415 nan 8.360 nan 0.000 0.482 27 I N -1.975 118.643 120.570 0.081 0.000 2.603 27 I HA 0.347 4.523 4.170 0.010 0.000 0.300 27 I C 0.002 176.145 176.117 0.044 0.000 1.017 27 I CA -1.139 60.189 61.300 0.048 0.000 1.098 27 I CB 1.472 39.483 38.000 0.019 0.000 1.279 27 I HN -0.286 nan 8.210 nan 0.000 0.437 28 L N 4.520 125.759 121.223 0.026 0.000 2.628 28 L HA -0.033 4.312 4.340 0.010 0.000 0.292 28 L C -0.287 176.604 176.870 0.037 0.000 1.250 28 L CA 0.282 55.153 54.840 0.050 0.000 0.892 28 L CB 0.100 42.168 42.059 0.014 0.000 1.138 28 L HN 0.520 nan 8.230 nan 0.000 0.502 29 L N 4.814 126.135 121.223 0.163 0.000 2.316 29 L HA 0.459 4.805 4.340 0.010 0.000 0.280 29 L C -0.688 176.446 176.870 0.440 0.000 1.006 29 L CA 0.028 54.995 54.840 0.212 0.000 0.836 29 L CB 0.803 42.987 42.059 0.208 0.000 1.221 29 L HN 0.142 nan 8.230 nan 0.000 0.418 30 F N 5.378 125.383 119.950 0.092 0.000 2.438 30 F HA 0.226 4.760 4.527 0.010 0.000 0.360 30 F C -0.400 175.599 175.800 0.332 0.000 1.118 30 F CA -0.260 57.815 58.000 0.125 0.000 1.164 30 F CB 0.205 39.121 39.000 -0.140 0.000 1.131 30 F HN 0.401 nan 8.300 nan 0.000 0.527 31 Y N 4.304 124.838 120.300 0.390 0.000 2.356 31 Y HA 0.439 4.994 4.550 0.009 0.000 0.334 31 Y C 0.178 176.253 175.900 0.292 0.000 0.958 31 Y CA -1.356 56.969 58.100 0.375 0.000 1.196 31 Y CB 0.451 39.204 38.460 0.489 0.000 1.137 31 Y HN 0.497 nan 8.280 nan 0.000 0.485 32 R N 5.653 126.146 120.500 -0.012 0.000 2.404 32 R HA 0.226 4.572 4.340 0.010 0.000 0.315 32 R C -1.225 174.969 176.300 -0.178 0.000 1.032 32 R CA 0.461 56.459 56.100 -0.169 0.000 0.992 32 R CB -0.005 30.164 30.300 -0.218 0.000 0.959 32 R HN 0.618 nan 8.270 nan 0.000 0.428 33 M N 5.341 124.897 119.600 -0.073 0.000 1.999 33 M HA 0.240 4.726 4.480 0.010 0.000 0.299 33 M C 0.778 177.076 176.300 -0.004 0.000 0.900 33 M CA -0.082 55.223 55.300 0.008 0.000 0.904 33 M CB 0.856 33.531 32.600 0.125 0.000 1.477 33 M HN 0.887 nan 8.290 nan 0.000 0.403 34 G N 3.657 112.420 108.800 -0.060 0.000 2.665 34 G HA2 -0.335 3.631 3.960 0.010 0.000 0.326 34 G HA3 -0.335 3.631 3.960 0.010 0.000 0.326 34 G C 0.480 175.315 174.900 -0.109 0.000 1.231 34 G CA 0.918 45.979 45.100 -0.066 0.000 0.992 34 G HN 0.569 nan 8.290 nan 0.000 0.549 35 D N 0.644 121.059 120.400 0.025 0.000 2.340 35 D HA 0.393 5.039 4.640 0.010 0.000 0.220 35 D C 0.274 176.501 176.300 -0.122 0.000 1.039 35 D CA 0.315 54.326 54.000 0.018 0.000 0.866 35 D CB -0.020 40.843 40.800 0.106 0.000 0.913 35 D HN 0.148 nan 8.370 nan 0.000 0.523 36 F N -0.545 119.326 119.950 -0.131 0.000 2.546 36 F HA 0.385 4.917 4.527 0.009 0.000 0.320 36 F C -0.401 175.230 175.800 -0.281 0.000 1.076 36 F CA -1.141 56.757 58.000 -0.170 0.000 0.928 36 F CB 1.105 40.027 39.000 -0.130 0.000 1.189 36 F HN -0.259 nan 8.300 nan 0.000 0.465 37 Y N 1.517 121.798 120.300 -0.032 0.000 2.327 37 Y HA 0.406 4.962 4.550 0.010 0.000 0.336 37 Y C 0.091 175.858 175.900 -0.222 0.000 1.035 37 Y CA -0.492 57.523 58.100 -0.142 0.000 1.165 37 Y CB 0.781 39.026 38.460 -0.358 0.000 1.181 37 Y HN 0.494 nan 8.280 nan 0.000 0.494 38 E N 3.145 123.351 120.200 0.011 0.000 2.263 38 E HA 0.687 5.042 4.350 0.010 0.000 0.264 38 E C -1.489 174.916 176.600 -0.324 0.000 0.923 38 E CA -1.032 55.223 56.400 -0.242 0.000 0.802 38 E CB 2.218 31.735 29.700 -0.305 0.000 1.228 38 E HN 0.373 nan 8.360 nan 0.000 0.417 39 L N 1.320 122.179 121.223 -0.606 0.000 2.354 39 L HA 0.576 4.921 4.340 0.010 0.000 0.264 39 L C -1.039 175.262 176.870 -0.948 0.000 1.008 39 L CA -0.475 54.093 54.840 -0.454 0.000 0.819 39 L CB 0.962 42.944 42.059 -0.129 0.000 1.339 39 L HN 0.458 nan 8.230 nan 0.000 0.420 40 F N -0.170 119.705 119.950 -0.125 0.000 2.620 40 F HA 0.711 5.244 4.527 0.009 0.000 0.320 40 F C -0.111 175.649 175.800 -0.067 0.000 1.069 40 F CA -0.824 56.972 58.000 -0.341 0.000 0.953 40 F CB 0.965 39.461 39.000 -0.840 0.000 1.322 40 F HN 0.363 nan 8.300 nan 0.000 0.479 41 Y N -0.680 119.712 120.300 0.152 0.000 2.896 41 Y HA -0.380 4.176 4.550 0.010 0.000 0.466 41 Y C 1.574 177.524 175.900 0.083 0.000 1.196 41 Y CA 0.978 59.142 58.100 0.106 0.000 2.514 41 Y CB -1.518 37.019 38.460 0.127 0.000 1.231 41 Y HN 0.553 nan 8.280 nan 0.000 0.632 42 D N -0.028 120.547 120.400 0.291 0.000 2.263 42 D HA -0.063 4.582 4.640 0.010 0.000 0.208 42 D C 1.453 177.838 176.300 0.141 0.000 0.971 42 D CA 1.483 55.583 54.000 0.168 0.000 0.867 42 D CB -0.450 40.430 40.800 0.133 0.000 0.929 42 D HN 0.427 nan 8.370 nan 0.000 0.492 43 D N 0.260 120.767 120.400 0.179 0.000 2.117 43 D HA -0.099 4.547 4.640 0.010 0.000 0.197 43 D C 2.036 178.384 176.300 0.081 0.000 0.987 43 D CA 1.350 55.438 54.000 0.147 0.000 0.829 43 D CB -0.309 40.615 40.800 0.207 0.000 0.961 43 D HN 0.155 nan 8.370 nan 0.000 0.460 44 A N 1.077 123.920 122.820 0.037 0.000 1.858 44 A HA -0.236 4.090 4.320 0.010 0.000 0.216 44 A C 2.026 179.607 177.584 -0.005 0.000 1.190 44 A CA 1.676 53.689 52.037 -0.040 0.000 0.617 44 A CB -0.418 18.523 19.000 -0.098 0.000 0.827 44 A HN 0.164 nan 8.150 nan 0.000 0.443 45 K N -0.558 119.858 120.400 0.027 0.000 2.032 45 K HA -0.156 4.170 4.320 0.010 0.000 0.209 45 K C 2.333 178.954 176.600 0.037 0.000 1.048 45 K CA 1.571 57.877 56.287 0.031 0.000 0.927 45 K CB -0.250 32.278 32.500 0.047 0.000 0.712 45 K HN 0.403 nan 8.250 nan 0.000 0.441 46 R N 0.605 121.136 120.500 0.052 0.000 2.070 46 R HA -0.094 4.251 4.340 0.010 0.000 0.233 46 R C 2.525 178.858 176.300 0.055 0.000 1.137 46 R CA 1.324 57.457 56.100 0.055 0.000 0.945 46 R CB -0.537 29.803 30.300 0.066 0.000 0.845 46 R HN 0.209 nan 8.270 nan 0.000 0.430 47 A N 0.645 123.500 122.820 0.059 0.000 1.908 47 A HA -0.233 4.093 4.320 0.010 0.000 0.218 47 A C 2.231 179.835 177.584 0.034 0.000 1.181 47 A CA 2.050 54.125 52.037 0.063 0.000 0.627 47 A CB -0.688 18.346 19.000 0.057 0.000 0.818 47 A HN 0.359 nan 8.150 nan 0.000 0.445 48 S N -0.852 114.855 115.700 0.011 0.000 2.368 48 S HA -0.233 4.243 4.470 0.010 0.000 0.225 48 S C 2.147 176.762 174.600 0.026 0.000 1.030 48 S CA 1.751 59.953 58.200 0.003 0.000 0.999 48 S CB -0.361 62.834 63.200 -0.009 0.000 0.844 48 S HN 0.703 nan 8.310 nan 0.000 0.459 49 Q N 0.264 120.083 119.800 0.032 0.000 2.016 49 Q HA 0.028 4.374 4.340 0.010 0.000 0.200 49 Q C 2.365 178.394 176.000 0.048 0.000 0.978 49 Q CA 1.566 57.391 55.803 0.037 0.000 0.833 49 Q CB -0.307 28.452 28.738 0.036 0.000 0.895 49 Q HN 0.499 nan 8.270 nan 0.000 0.427 50 L N 0.108 121.366 121.223 0.058 0.000 2.056 50 L HA -0.153 4.193 4.340 0.010 0.000 0.207 50 L C 1.969 178.895 176.870 0.093 0.000 1.078 50 L CA 0.973 55.854 54.840 0.069 0.000 0.749 50 L CB -0.160 41.944 42.059 0.074 0.000 0.901 50 L HN 0.232 nan 8.230 nan 0.000 0.433 51 L N -1.361 119.932 121.223 0.116 0.000 2.616 51 L HA 0.123 4.468 4.340 0.010 0.000 0.229 51 L C 0.096 177.072 176.870 0.177 0.000 1.110 51 L CA -0.192 54.764 54.840 0.193 0.000 0.884 51 L CB -0.086 42.114 42.059 0.235 0.000 1.115 51 L HN 0.173 nan 8.230 nan 0.000 0.481 52 D N 1.914 122.375 120.400 0.102 0.000 2.746 52 D HA -0.196 4.450 4.640 0.010 0.000 0.241 52 D C -0.351 175.998 176.300 0.081 0.000 1.140 52 D CA 0.576 54.623 54.000 0.079 0.000 0.707 52 D CB -0.715 40.131 40.800 0.075 0.000 1.034 52 D HN 0.488 nan 8.370 nan 0.000 0.423 53 I N -2.802 117.792 120.570 0.041 0.000 2.740 53 I HA 0.569 4.744 4.170 0.010 0.000 0.303 53 I C 0.339 176.446 176.117 -0.017 0.000 1.044 53 I CA -1.139 60.163 61.300 0.003 0.000 1.064 53 I CB 2.032 39.990 38.000 -0.070 0.000 1.249 53 I HN 0.059 nan 8.210 nan 0.000 0.433 54 S N 4.174 119.860 115.700 -0.023 0.000 2.525 54 S HA 0.168 4.644 4.470 0.010 0.000 0.285 54 S C -0.313 174.259 174.600 -0.048 0.000 1.283 54 S CA -0.459 57.724 58.200 -0.029 0.000 1.072 54 S CB 0.274 63.457 63.200 -0.029 0.000 0.867 54 S HN 0.538 nan 8.310 nan 0.000 0.492 55 L N 6.207 127.408 121.223 -0.037 0.000 2.315 55 L HA 0.506 4.852 4.340 0.010 0.000 0.283 55 L C 0.444 177.284 176.870 -0.050 0.000 1.089 55 L CA 0.740 55.553 54.840 -0.045 0.000 0.833 55 L CB 0.809 42.853 42.059 -0.025 0.000 1.170 55 L HN 0.892 nan 8.230 nan 0.000 0.442 56 T N 4.063 118.575 114.554 -0.070 0.000 2.678 56 T HA 0.626 4.982 4.350 0.010 0.000 0.260 56 T C -0.954 173.709 174.700 -0.063 0.000 0.932 56 T CA -0.685 61.375 62.100 -0.066 0.000 1.043 56 T CB 0.935 69.754 68.868 -0.082 0.000 1.413 56 T HN 0.541 nan 8.240 nan 0.000 0.568 57 K N 1.435 121.800 120.400 -0.059 0.000 2.464 57 K HA 0.391 4.717 4.320 0.010 0.000 0.253 57 K C -1.186 175.384 176.600 -0.051 0.000 0.933 57 K CA -0.718 55.537 56.287 -0.052 0.000 0.801 57 K CB 2.286 34.760 32.500 -0.043 0.000 1.271 57 K HN 0.578 nan 8.250 nan 0.000 0.430 58 R N 0.835 121.305 120.500 -0.050 0.000 2.215 58 R HA 0.313 4.659 4.340 0.010 0.000 0.336 58 R C 0.178 176.430 176.300 -0.079 0.000 0.996 58 R CA -0.264 55.801 56.100 -0.059 0.000 0.847 58 R CB 0.780 31.049 30.300 -0.052 0.000 1.127 58 R HN 0.811 nan 8.270 nan 0.000 0.465 59 G N 2.285 111.047 108.800 -0.063 0.000 2.562 59 G HA2 0.326 4.292 3.960 0.010 0.000 0.233 59 G HA3 0.326 4.292 3.960 0.010 0.000 0.233 59 G C -0.798 174.064 174.900 -0.062 0.000 1.266 59 G CA 0.039 45.106 45.100 -0.055 0.000 0.852 59 G HN 0.737 nan 8.290 nan 0.000 0.581 60 A N 0.721 123.513 122.820 -0.048 0.000 2.381 60 A HA 0.636 4.962 4.320 0.010 0.000 0.299 60 A C 0.920 178.485 177.584 -0.030 0.000 1.049 60 A CA 0.286 52.297 52.037 -0.043 0.000 0.715 60 A CB 1.483 20.462 19.000 -0.034 0.000 1.222 60 A HN 1.458 nan 8.150 nan 0.000 0.428 61 S N 1.828 117.510 115.700 -0.030 0.000 2.357 61 S HA 0.194 4.670 4.470 0.010 0.000 0.221 61 S C 1.003 175.590 174.600 -0.021 0.000 1.031 61 S CA 1.139 59.325 58.200 -0.024 0.000 0.982 61 S CB -0.104 63.082 63.200 -0.023 0.000 0.853 61 S HN 1.983 nan 8.310 nan 0.000 0.458 62 A N 0.834 123.640 122.820 -0.024 0.000 2.644 62 A HA 0.761 5.087 4.320 0.010 0.000 0.343 62 A C 0.544 178.114 177.584 -0.024 0.000 1.324 62 A CA -0.141 51.882 52.037 -0.024 0.000 0.846 62 A CB -0.153 18.830 19.000 -0.030 0.000 1.128 62 A HN 1.417 nan 8.150 nan 0.000 0.484 63 G N 1.003 109.793 108.800 -0.015 0.000 2.302 63 G HA2 0.162 4.128 3.960 0.010 0.000 0.276 63 G HA3 0.162 4.128 3.960 0.010 0.000 0.276 63 G C -0.899 174.004 174.900 0.005 0.000 1.316 63 G CA -0.751 44.346 45.100 -0.006 0.000 0.988 63 G HN 0.622 nan 8.290 nan 0.000 0.479 64 E N 0.825 121.039 120.200 0.024 0.000 2.349 64 E HA 0.464 4.820 4.350 0.010 0.000 0.262 64 E C -2.300 174.311 176.600 0.017 0.000 1.088 64 E CA -1.344 55.072 56.400 0.028 0.000 0.899 64 E CB 0.719 30.450 29.700 0.052 0.000 1.044 64 E HN 0.271 nan 8.360 nan 0.000 0.420 65 P HA 0.162 nan 4.420 nan 0.000 0.275 65 P C -0.728 176.548 177.300 -0.039 0.000 1.228 65 P CA -0.059 63.026 63.100 -0.025 0.000 0.786 65 P CB 0.491 32.178 31.700 -0.022 0.000 0.927 66 I N 4.225 124.734 120.570 -0.103 0.000 2.304 66 I HA 0.249 4.425 4.170 0.010 0.000 0.291 66 I C -2.135 173.883 176.117 -0.165 0.000 1.018 66 I CA -2.565 58.602 61.300 -0.221 0.000 1.260 66 I CB 1.171 38.928 38.000 -0.405 0.000 1.390 66 I HN 0.130 nan 8.210 nan 0.000 0.475 67 P HA 0.085 nan 4.420 nan 0.000 0.264 67 P C -0.697 176.548 177.300 -0.091 0.000 1.183 67 P CA 0.124 63.176 63.100 -0.079 0.000 0.763 67 P CB 0.510 32.196 31.700 -0.024 0.000 0.807 68 M N 2.500 122.041 119.600 -0.098 0.000 2.470 68 M HA 0.730 5.216 4.480 0.010 0.000 0.285 68 M C -2.038 174.135 176.300 -0.211 0.000 1.213 68 M CA -0.581 54.609 55.300 -0.184 0.000 0.901 68 M CB 2.360 34.910 32.600 -0.083 0.000 1.718 68 M HN 0.427 nan 8.290 nan 0.000 0.469 69 A N 2.118 124.752 122.820 -0.310 0.000 2.593 69 A HA 1.047 5.373 4.320 0.010 0.000 0.290 69 A C -0.837 176.568 177.584 -0.299 0.000 1.126 69 A CA -0.119 51.773 52.037 -0.242 0.000 0.695 69 A CB 1.824 20.717 19.000 -0.177 0.000 1.290 69 A HN 1.335 nan 8.150 nan 0.000 0.414 70 G N -1.022 107.637 108.800 -0.236 0.000 2.368 70 G HA2 0.664 4.629 3.960 0.010 0.000 0.293 70 G HA3 0.664 4.629 3.960 0.010 0.000 0.293 70 G C -1.352 173.490 174.900 -0.097 0.000 1.467 70 G CA 0.142 45.122 45.100 -0.201 0.000 0.804 70 G HN 1.907 nan 8.290 nan 0.000 0.535 71 I N -2.305 118.214 120.570 -0.086 0.000 2.894 71 I HA 0.746 4.921 4.170 0.010 0.000 0.302 71 I C -2.956 172.982 176.117 -0.299 0.000 1.188 71 I CA -3.063 58.126 61.300 -0.185 0.000 1.014 71 I CB 2.686 40.356 38.000 -0.549 0.000 1.242 71 I HN 0.250 nan 8.210 nan 0.000 0.430 72 P HA 0.044 nan 4.420 nan 0.000 0.268 72 P C -0.006 176.885 177.300 -0.681 0.000 1.205 72 P CA 0.009 62.442 63.100 -1.113 0.000 0.771 72 P CB 0.184 31.133 31.700 -1.252 0.000 0.858 73 Y N 3.081 123.038 120.300 -0.571 0.000 2.193 73 Y HA -0.293 4.263 4.550 0.009 0.000 0.285 73 Y C 1.950 177.809 175.900 -0.069 0.000 1.166 73 Y CA 1.955 59.909 58.100 -0.243 0.000 1.181 73 Y CB -1.983 36.263 38.460 -0.358 0.000 0.976 73 Y HN 0.505 nan 8.280 nan 0.000 0.520 74 H N -0.432 117.923 119.070 -1.192 0.000 2.561 74 H HA 0.360 4.922 4.556 0.010 0.000 0.278 74 H C 1.412 176.565 175.328 -0.293 0.000 1.014 74 H CA 0.538 56.093 56.048 -0.823 0.000 1.211 74 H CB -0.395 28.838 29.762 -0.881 0.000 1.365 74 H HN 0.426 nan 8.280 nan 0.000 0.594 75 A N 0.788 123.441 122.820 -0.278 0.000 2.503 75 A HA 0.296 4.621 4.320 0.010 0.000 0.263 75 A C 1.910 179.576 177.584 0.136 0.000 1.258 75 A CA 0.270 52.298 52.037 -0.014 0.000 0.936 75 A CB -0.382 18.630 19.000 0.021 0.000 1.070 75 A HN 0.326 nan 8.150 nan 0.000 0.522 76 V N 0.127 120.115 119.914 0.125 0.000 2.407 76 V HA -0.196 3.930 4.120 0.010 0.000 0.248 76 V C 2.209 178.417 176.094 0.190 0.000 1.055 76 V CA 2.615 65.039 62.300 0.207 0.000 1.049 76 V CB -0.335 31.590 31.823 0.170 0.000 0.662 76 V HN 0.615 nan 8.190 nan 0.000 0.455 77 E N 0.326 120.586 120.200 0.100 0.000 2.110 77 E HA -0.194 4.161 4.350 0.010 0.000 0.193 77 E C 2.046 178.655 176.600 0.016 0.000 0.988 77 E CA 1.501 57.929 56.400 0.047 0.000 0.804 77 E CB -0.517 29.195 29.700 0.020 0.000 0.745 77 E HN 0.718 nan 8.360 nan 0.000 0.458 78 N N 0.250 118.933 118.700 -0.029 0.000 2.166 78 N HA -0.158 4.588 4.740 0.010 0.000 0.186 78 N C 1.879 177.268 175.510 -0.202 0.000 1.019 78 N CA 1.066 54.019 53.050 -0.162 0.000 0.856 78 N CB -0.302 38.011 38.487 -0.291 0.000 0.993 78 N HN 0.279 nan 8.380 nan 0.000 0.426 79 Y N 1.456 121.781 120.300 0.041 0.000 2.286 79 Y HA 0.081 4.637 4.550 0.009 0.000 0.293 79 Y C 2.460 178.403 175.900 0.071 0.000 1.124 79 Y CA 0.375 58.522 58.100 0.079 0.000 1.178 79 Y CB -0.501 38.039 38.460 0.133 0.000 1.010 79 Y HN -0.053 nan 8.280 nan 0.000 0.536 80 L N -0.715 120.614 121.223 0.175 0.000 2.042 80 L HA -0.286 4.059 4.340 0.010 0.000 0.210 80 L C 2.699 179.569 176.870 -0.000 0.000 1.076 80 L CA 1.159 56.013 54.840 0.023 0.000 0.749 80 L CB -0.919 41.123 42.059 -0.028 0.000 0.893 80 L HN 0.256 nan 8.230 nan 0.000 0.432 81 A N 0.333 123.152 122.820 -0.001 0.000 1.873 81 A HA -0.286 4.040 4.320 0.010 0.000 0.218 81 A C 2.317 179.895 177.584 -0.011 0.000 1.193 81 A CA 2.159 54.184 52.037 -0.019 0.000 0.629 81 A CB -0.511 18.466 19.000 -0.038 0.000 0.826 81 A HN 0.343 nan 8.150 nan 0.000 0.447 82 K N -0.744 119.656 120.400 0.000 0.000 2.103 82 K HA -0.118 4.208 4.320 0.010 0.000 0.207 82 K C 1.897 178.517 176.600 0.032 0.000 1.048 82 K CA 1.599 57.897 56.287 0.019 0.000 0.930 82 K CB -0.379 32.151 32.500 0.050 0.000 0.716 82 K HN 0.510 nan 8.250 nan 0.000 0.444 83 L N -0.191 121.054 121.223 0.036 0.000 2.068 83 L HA -0.095 4.251 4.340 0.010 0.000 0.204 83 L C 2.327 179.189 176.870 -0.012 0.000 1.076 83 L CA 0.473 55.321 54.840 0.013 0.000 0.753 83 L CB -0.326 41.724 42.059 -0.015 0.000 0.910 83 L HN -0.026 nan 8.230 nan 0.000 0.439 84 V N 0.374 120.272 119.914 -0.027 0.000 2.809 84 V HA -0.179 3.946 4.120 0.010 0.000 0.256 84 V C 1.816 177.902 176.094 -0.014 0.000 1.080 84 V CA 1.410 63.694 62.300 -0.028 0.000 1.102 84 V CB -0.482 31.318 31.823 -0.039 0.000 0.705 84 V HN 0.476 nan 8.190 nan 0.000 0.475 85 N N 0.200 118.895 118.700 -0.009 0.000 2.573 85 N HA -0.080 4.666 4.740 0.010 0.000 0.187 85 N C 1.402 176.912 175.510 0.000 0.000 1.107 85 N CA 0.841 53.888 53.050 -0.005 0.000 0.918 85 N CB -0.042 38.441 38.487 -0.007 0.000 0.966 85 N HN 0.645 nan 8.380 nan 0.000 0.448 86 Q N -1.714 118.089 119.800 0.003 0.000 2.189 86 Q HA 0.298 4.644 4.340 0.010 0.000 0.223 86 Q C 0.471 176.476 176.000 0.008 0.000 0.828 86 Q CA 0.123 55.931 55.803 0.009 0.000 0.967 86 Q CB 1.093 29.841 28.738 0.016 0.000 1.139 86 Q HN 0.249 nan 8.270 nan 0.000 0.497 87 G N 1.202 110.004 108.800 0.003 0.000 2.141 87 G HA2 -0.193 3.773 3.960 0.010 0.000 0.242 87 G HA3 -0.193 3.773 3.960 0.010 0.000 0.242 87 G C -0.199 174.704 174.900 0.006 0.000 0.982 87 G CA -0.269 44.835 45.100 0.006 0.000 0.662 87 G HN 0.175 nan 8.290 nan 0.000 0.527 88 E N 1.081 121.279 120.200 -0.003 0.000 2.227 88 E HA 0.502 4.858 4.350 0.010 0.000 0.282 88 E C 0.253 176.832 176.600 -0.035 0.000 1.015 88 E CA -0.123 56.271 56.400 -0.011 0.000 0.823 88 E CB 1.453 31.146 29.700 -0.012 0.000 1.081 88 E HN 0.234 nan 8.360 nan 0.000 0.396 89 S N 1.021 116.703 115.700 -0.031 0.000 2.617 89 S HA 0.422 4.898 4.470 0.010 0.000 0.269 89 S C -0.089 174.431 174.600 -0.133 0.000 1.292 89 S CA -0.657 57.505 58.200 -0.063 0.000 1.010 89 S CB 1.036 64.223 63.200 -0.020 0.000 0.944 89 S HN 0.256 nan 8.310 nan 0.000 0.536 90 V N 1.554 121.338 119.914 -0.215 0.000 2.567 90 V HA 0.556 4.682 4.120 0.010 0.000 0.298 90 V C -0.117 175.773 176.094 -0.340 0.000 1.047 90 V CA -0.984 61.108 62.300 -0.347 0.000 0.880 90 V CB 1.398 32.838 31.823 -0.638 0.000 1.009 90 V HN 1.000 nan 8.190 nan 0.000 0.429 91 A N 6.314 128.950 122.820 -0.308 0.000 2.409 91 A HA 0.734 5.060 4.320 0.010 0.000 0.262 91 A C -0.308 177.146 177.584 -0.217 0.000 1.113 91 A CA -0.199 51.632 52.037 -0.342 0.000 0.790 91 A CB 0.092 18.738 19.000 -0.590 0.000 1.046 91 A HN 0.623 nan 8.150 nan 0.000 0.496 92 I N 2.698 123.168 120.570 -0.166 0.000 2.328 92 I HA 0.213 4.389 4.170 0.010 0.000 0.287 92 I C 0.083 176.233 176.117 0.055 0.000 1.012 92 I CA -0.311 60.959 61.300 -0.051 0.000 1.195 92 I CB 0.502 38.451 38.000 -0.086 0.000 1.350 92 I HN 0.675 nan 8.210 nan 0.000 0.464 93 C N 7.713 127.114 119.300 0.167 0.000 2.329 93 C HA 0.649 5.114 4.460 0.010 0.000 0.329 93 C C -0.019 175.058 174.990 0.144 0.000 1.275 93 C CA -0.163 58.944 59.018 0.149 0.000 1.726 93 C CB 0.748 28.608 27.740 0.199 0.000 2.291 93 C HN 0.771 nan 8.230 nan 0.000 0.514 94 E N 2.921 123.161 120.200 0.066 0.000 2.299 94 E HA 0.324 4.680 4.350 0.010 0.000 0.265 94 E C -1.043 175.529 176.600 -0.046 0.000 0.911 94 E CA -0.502 55.915 56.400 0.028 0.000 0.789 94 E CB 1.617 31.350 29.700 0.054 0.000 1.246 94 E HN 0.723 nan 8.360 nan 0.000 0.427 95 Q N 1.532 121.285 119.800 -0.080 0.000 2.296 95 Q HA 0.162 4.508 4.340 0.010 0.000 0.263 95 Q C 0.811 176.784 176.000 -0.045 0.000 1.026 95 Q CA -0.063 55.693 55.803 -0.078 0.000 0.912 95 Q CB 0.845 29.523 28.738 -0.100 0.000 1.198 95 Q HN 0.372 nan 8.270 nan 0.000 0.407 96 I N 1.232 121.786 120.570 -0.026 0.000 2.810 96 I HA 0.086 4.262 4.170 0.010 0.000 0.262 96 I C 1.245 177.354 176.117 -0.014 0.000 1.131 96 I CA 0.626 61.918 61.300 -0.012 0.000 1.453 96 I CB -1.010 36.991 38.000 0.002 0.000 1.161 96 I HN 0.585 nan 8.210 nan 0.000 0.444 97 G N 0.835 109.628 108.800 -0.013 0.000 2.621 97 G HA2 0.136 4.101 3.960 0.010 0.000 0.271 97 G HA3 0.136 4.101 3.960 0.010 0.000 0.271 97 G C -0.811 174.077 174.900 -0.019 0.000 1.236 97 G CA -0.033 45.061 45.100 -0.010 0.000 0.958 97 G HN 0.160 nan 8.290 nan 0.000 0.512 98 D N -0.159 120.232 120.400 -0.015 0.000 2.373 98 D HA 0.335 4.980 4.640 0.010 0.000 0.227 98 D C -1.473 174.818 176.300 -0.016 0.000 1.091 98 D CA -2.238 51.750 54.000 -0.019 0.000 0.840 98 D CB 1.887 42.677 40.800 -0.016 0.000 1.060 98 D HN -0.091 nan 8.370 nan 0.000 0.502 99 P HA -0.123 nan 4.420 nan 0.000 0.216 99 P C 0.994 178.288 177.300 -0.011 0.000 1.150 99 P CA 1.339 64.430 63.100 -0.015 0.000 0.843 99 P CB 0.218 31.905 31.700 -0.022 0.000 0.787 100 A N -0.572 122.240 122.820 -0.013 0.000 1.972 100 A HA -0.125 4.201 4.320 0.010 0.000 0.219 100 A C 1.933 179.514 177.584 -0.006 0.000 1.169 100 A CA 2.177 54.208 52.037 -0.010 0.000 0.635 100 A CB -1.663 17.330 19.000 -0.012 0.000 0.810 100 A HN 0.361 nan 8.150 nan 0.000 0.446 101 T N -3.321 111.230 114.554 -0.005 0.000 3.214 101 T HA 0.410 4.766 4.350 0.010 0.000 0.264 101 T C 0.076 174.777 174.700 0.002 0.000 1.012 101 T CA 0.154 62.253 62.100 -0.002 0.000 0.901 101 T CB -0.111 68.756 68.868 -0.002 0.000 1.070 101 T HN 0.055 nan 8.240 nan 0.000 0.561 102 S N 0.990 116.691 115.700 0.002 0.000 2.552 102 S HA 0.405 4.881 4.470 0.010 0.000 0.314 102 S C 0.748 175.353 174.600 0.009 0.000 1.099 102 S CA -1.007 57.197 58.200 0.007 0.000 1.070 102 S CB 2.058 65.263 63.200 0.008 0.000 0.998 102 S HN 0.277 nan 8.310 nan 0.000 0.474 103 K N 1.946 122.353 120.400 0.012 0.000 2.002 103 K HA -0.041 4.285 4.320 0.010 0.000 0.209 103 K C 1.404 178.013 176.600 0.016 0.000 1.048 103 K CA 1.206 57.501 56.287 0.013 0.000 0.930 103 K CB -0.205 32.304 32.500 0.015 0.000 0.714 103 K HN 0.671 nan 8.250 nan 0.000 0.438 104 G N 1.111 109.924 108.800 0.022 0.000 2.543 104 G HA2 0.277 4.242 3.960 0.010 0.000 0.267 104 G HA3 0.277 4.242 3.960 0.010 0.000 0.267 104 G C -2.501 172.415 174.900 0.028 0.000 1.406 104 G CA -1.024 44.092 45.100 0.027 0.000 1.048 104 G HN -0.028 nan 8.290 nan 0.000 0.548 105 P HA 0.120 nan 4.420 nan 0.000 0.264 105 P C 0.145 177.469 177.300 0.040 0.000 1.183 105 P CA -0.278 62.850 63.100 0.047 0.000 0.763 105 P CB 0.773 32.519 31.700 0.076 0.000 0.807 106 V N 3.009 122.937 119.914 0.024 0.000 2.843 106 V HA -0.020 4.106 4.120 0.010 0.000 0.305 106 V C 0.726 176.831 176.094 0.017 0.000 1.065 106 V CA -0.241 62.065 62.300 0.011 0.000 1.116 106 V CB 0.440 32.256 31.823 -0.011 0.000 0.968 106 V HN 0.596 nan 8.190 nan 0.000 0.487 107 E N 5.515 125.725 120.200 0.017 0.000 2.529 107 E HA 0.071 4.427 4.350 0.010 0.000 0.259 107 E C -0.252 176.354 176.600 0.010 0.000 0.966 107 E CA 0.236 56.650 56.400 0.024 0.000 0.937 107 E CB 0.411 30.123 29.700 0.021 0.000 0.923 107 E HN 0.593 nan 8.360 nan 0.000 0.468 108 R N 3.572 124.087 120.500 0.024 0.000 2.854 108 R HA 0.542 4.888 4.340 0.010 0.000 0.271 108 R C -0.710 175.614 176.300 0.041 0.000 0.994 108 R CA -0.897 55.205 56.100 0.002 0.000 0.945 108 R CB 1.948 32.218 30.300 -0.050 0.000 1.194 108 R HN 0.399 nan 8.270 nan 0.000 0.476 109 K N 0.570 120.994 120.400 0.039 0.000 2.546 109 K HA 0.282 4.607 4.320 0.010 0.000 0.264 109 K C -1.241 175.405 176.600 0.077 0.000 0.937 109 K CA -0.751 55.574 56.287 0.064 0.000 0.833 109 K CB 2.908 35.435 32.500 0.046 0.000 1.378 109 K HN 0.183 nan 8.250 nan 0.000 0.432 110 V N 3.685 123.663 119.914 0.107 0.000 2.415 110 V HA -0.010 4.116 4.120 0.010 0.000 0.267 110 V C 1.187 177.310 176.094 0.049 0.000 1.042 110 V CA 0.032 62.385 62.300 0.087 0.000 1.000 110 V CB 0.710 32.619 31.823 0.143 0.000 1.015 110 V HN 0.710 nan 8.190 nan 0.000 0.478 111 V N 2.746 122.678 119.914 0.029 0.000 3.471 111 V HA 0.399 4.525 4.120 0.010 0.000 0.258 111 V C 0.693 176.781 176.094 -0.010 0.000 1.192 111 V CA 0.471 62.782 62.300 0.018 0.000 1.116 111 V CB -0.358 31.483 31.823 0.030 0.000 0.792 111 V HN 0.831 nan 8.190 nan 0.000 0.459 112 R N -0.160 120.318 120.500 -0.036 0.000 2.664 112 R HA 0.613 4.959 4.340 0.010 0.000 0.260 112 R C -2.278 173.947 176.300 -0.125 0.000 1.062 112 R CA -0.752 55.305 56.100 -0.071 0.000 0.902 112 R CB 1.799 32.066 30.300 -0.055 0.000 1.258 112 R HN 0.289 nan 8.270 nan 0.000 0.465 113 I N 3.807 124.285 120.570 -0.153 0.000 2.447 113 I HA 0.312 4.488 4.170 0.010 0.000 0.287 113 I C -0.460 175.554 176.117 -0.172 0.000 1.023 113 I CA -1.211 59.969 61.300 -0.200 0.000 1.083 113 I CB 2.194 40.055 38.000 -0.232 0.000 1.245 113 I HN 0.245 nan 8.210 nan 0.000 0.434 114 V N 5.332 125.140 119.914 -0.176 0.000 2.385 114 V HA 0.368 4.494 4.120 0.010 0.000 0.269 114 V C 0.498 176.527 176.094 -0.108 0.000 1.043 114 V CA -0.079 62.138 62.300 -0.138 0.000 0.906 114 V CB 1.164 32.891 31.823 -0.161 0.000 0.995 114 V HN 0.896 nan 8.190 nan 0.000 0.467 115 T N 2.942 117.461 114.554 -0.058 0.000 2.916 115 T HA 0.521 4.877 4.350 0.010 0.000 0.292 115 T C -2.255 172.452 174.700 0.012 0.000 1.055 115 T CA -2.188 59.912 62.100 0.001 0.000 1.009 115 T CB 2.482 71.405 68.868 0.092 0.000 1.118 115 T HN 0.286 nan 8.240 nan 0.000 0.497 116 P HA 0.124 nan 4.420 nan 0.000 0.220 116 P C 1.283 178.590 177.300 0.012 0.000 1.148 116 P CA 0.908 64.013 63.100 0.008 0.000 0.803 116 P CB -0.142 31.564 31.700 0.010 0.000 0.782 117 G N -1.721 107.098 108.800 0.031 0.000 3.233 117 G HA2 0.036 4.001 3.960 0.010 0.000 0.234 117 G HA3 0.036 4.001 3.960 0.010 0.000 0.234 117 G C 0.694 175.609 174.900 0.025 0.000 1.137 117 G CA 0.397 45.510 45.100 0.021 0.000 0.763 117 G HN 0.338 nan 8.290 nan 0.000 0.549 118 T N -1.163 113.407 114.554 0.027 0.000 3.200 118 T HA 0.370 4.726 4.350 0.010 0.000 0.284 118 T C 0.797 175.488 174.700 -0.016 0.000 1.009 118 T CA -0.556 61.548 62.100 0.007 0.000 0.907 118 T CB -0.440 68.431 68.868 0.005 0.000 1.120 118 T HN 0.299 nan 8.240 nan 0.000 0.534 119 I N 0.242 120.802 120.570 -0.016 0.000 2.638 119 I HA 0.632 4.808 4.170 0.010 0.000 0.286 119 I C 0.839 176.942 176.117 -0.022 0.000 1.088 119 I CA -0.553 60.732 61.300 -0.025 0.000 1.397 119 I CB 1.285 39.270 38.000 -0.026 0.000 1.414 119 I HN 0.157 nan 8.210 nan 0.000 0.566 120 S N 1.070 116.752 115.700 -0.029 0.000 2.744 120 S HA 0.212 4.688 4.470 0.010 0.000 0.265 120 S C 0.040 174.619 174.600 -0.035 0.000 1.065 120 S CA -0.551 57.629 58.200 -0.032 0.000 1.191 120 S CB -0.128 63.045 63.200 -0.045 0.000 1.150 120 S HN 0.723 nan 8.310 nan 0.000 0.646 121 D N 2.814 123.196 120.400 -0.031 0.000 2.389 121 D HA 0.124 4.769 4.640 0.010 0.000 0.247 121 D C 1.010 177.296 176.300 -0.023 0.000 1.128 121 D CA 0.091 54.076 54.000 -0.025 0.000 0.884 121 D CB 1.334 42.121 40.800 -0.021 0.000 1.194 121 D HN 0.480 nan 8.370 nan 0.000 0.441 122 E N 2.389 122.577 120.200 -0.021 0.000 2.118 122 E HA -0.231 4.125 4.350 0.010 0.000 0.195 122 E C 1.640 178.228 176.600 -0.020 0.000 0.992 122 E CA 1.130 57.518 56.400 -0.021 0.000 0.804 122 E CB 0.149 29.837 29.700 -0.020 0.000 0.741 122 E HN 0.522 nan 8.360 nan 0.000 0.458 123 A N 0.902 123.710 122.820 -0.020 0.000 1.940 123 A HA -0.135 4.191 4.320 0.010 0.000 0.219 123 A C 2.078 179.649 177.584 -0.021 0.000 1.176 123 A CA 1.312 53.336 52.037 -0.021 0.000 0.631 123 A CB -0.464 18.523 19.000 -0.021 0.000 0.814 123 A HN 0.347 nan 8.150 nan 0.000 0.446 124 L N -1.072 120.138 121.223 -0.021 0.000 2.592 124 L HA 0.263 4.609 4.340 0.010 0.000 0.227 124 L C 0.246 177.106 176.870 -0.018 0.000 1.127 124 L CA -0.267 54.560 54.840 -0.021 0.000 0.884 124 L CB -0.260 41.785 42.059 -0.024 0.000 1.065 124 L HN 0.213 nan 8.230 nan 0.000 0.457 125 L N -0.699 120.514 121.223 -0.017 0.000 2.331 125 L HA 0.397 4.743 4.340 0.010 0.000 0.268 125 L C -0.029 176.833 176.870 -0.012 0.000 1.015 125 L CA -0.738 54.094 54.840 -0.014 0.000 0.807 125 L CB 1.077 43.128 42.059 -0.014 0.000 1.293 125 L HN -0.025 nan 8.230 nan 0.000 0.451 126 Q N 0.763 120.558 119.800 -0.009 0.000 2.271 126 Q HA 0.213 4.559 4.340 0.010 0.000 0.258 126 Q C 0.190 176.185 176.000 -0.008 0.000 0.936 126 Q CA -0.319 55.480 55.803 -0.008 0.000 0.909 126 Q CB 2.118 30.853 28.738 -0.004 0.000 1.253 126 Q HN 0.589 nan 8.270 nan 0.000 0.440 127 E N 1.722 121.916 120.200 -0.010 0.000 2.031 127 E HA -0.169 4.186 4.350 0.010 0.000 0.193 127 E C 0.586 177.180 176.600 -0.010 0.000 0.994 127 E CA 1.129 57.522 56.400 -0.011 0.000 0.800 127 E CB 0.228 29.920 29.700 -0.013 0.000 0.752 127 E HN 0.373 nan 8.360 nan 0.000 0.447 128 R N 0.530 121.026 120.500 -0.008 0.000 2.466 128 R HA 0.174 4.520 4.340 0.010 0.000 0.279 128 R C 0.058 176.359 176.300 0.000 0.000 0.976 128 R CA 0.047 56.143 56.100 -0.007 0.000 1.081 128 R CB 0.429 30.725 30.300 -0.007 0.000 1.215 128 R HN 0.159 nan 8.270 nan 0.000 0.546 129 Q N 0.508 120.309 119.800 0.002 0.000 2.323 129 Q HA 0.212 4.558 4.340 0.010 0.000 0.271 129 Q C -1.254 174.750 176.000 0.005 0.000 1.048 129 Q CA -0.910 54.897 55.803 0.007 0.000 0.792 129 Q CB 2.388 31.131 28.738 0.008 0.000 1.280 129 Q HN -0.009 nan 8.270 nan 0.000 0.441 130 D N 1.544 121.950 120.400 0.010 0.000 2.400 130 D HA 0.048 4.693 4.640 0.010 0.000 0.238 130 D C -0.489 175.814 176.300 0.005 0.000 1.157 130 D CA 0.547 54.553 54.000 0.010 0.000 0.889 130 D CB 0.624 41.434 40.800 0.018 0.000 1.199 130 D HN 0.385 nan 8.370 nan 0.000 0.436 131 N N 1.584 120.286 118.700 0.003 0.000 2.617 131 N HA 0.265 5.011 4.740 0.010 0.000 0.263 131 N C -1.369 174.140 175.510 -0.002 0.000 1.074 131 N CA -0.367 52.683 53.050 -0.000 0.000 0.841 131 N CB 0.435 38.920 38.487 -0.003 0.000 1.221 131 N HN 0.181 nan 8.380 nan 0.000 0.529 132 L N 1.955 123.176 121.223 -0.002 0.000 2.334 132 L HA 0.566 4.912 4.340 0.010 0.000 0.275 132 L C -0.302 176.557 176.870 -0.019 0.000 1.036 132 L CA -1.279 53.555 54.840 -0.010 0.000 0.807 132 L CB 1.334 43.392 42.059 -0.002 0.000 1.231 132 L HN 0.342 nan 8.230 nan 0.000 0.438 133 L N 2.622 123.823 121.223 -0.037 0.000 2.334 133 L HA 0.798 5.144 4.340 0.010 0.000 0.277 133 L C -0.279 176.540 176.870 -0.085 0.000 1.075 133 L CA 0.179 54.988 54.840 -0.052 0.000 0.804 133 L CB 1.328 43.360 42.059 -0.045 0.000 1.174 133 L HN 0.725 nan 8.230 nan 0.000 0.438 134 A N 3.881 126.644 122.820 -0.095 0.000 2.475 134 A HA 0.958 5.284 4.320 0.010 0.000 0.301 134 A C -1.316 176.204 177.584 -0.107 0.000 1.059 134 A CA -0.151 51.792 52.037 -0.156 0.000 0.710 134 A CB 1.520 20.454 19.000 -0.110 0.000 1.288 134 A HN 1.185 nan 8.150 nan 0.000 0.408 135 A N 1.173 123.926 122.820 -0.113 0.000 2.386 135 A HA 0.820 5.146 4.320 0.010 0.000 0.311 135 A C -0.882 176.841 177.584 0.231 0.000 1.068 135 A CA -0.423 51.647 52.037 0.056 0.000 0.743 135 A CB 0.930 19.935 19.000 0.008 0.000 1.258 135 A HN 1.322 nan 8.150 nan 0.000 0.429 136 I N 1.977 122.784 120.570 0.395 0.000 2.647 136 I HA 0.707 4.883 4.170 0.010 0.000 0.295 136 I C -1.658 174.807 176.117 0.579 0.000 1.078 136 I CA -0.787 60.813 61.300 0.500 0.000 1.048 136 I CB 1.667 39.850 38.000 0.306 0.000 1.239 136 I HN 0.860 nan 8.210 nan 0.000 0.421 137 W N 8.328 129.894 121.300 0.443 0.000 3.138 137 W HA 0.456 5.117 4.660 0.001 0.000 0.331 137 W C -2.328 174.416 176.519 0.375 0.000 1.166 137 W CA -0.579 56.955 57.345 0.314 0.000 1.212 137 W CB 1.942 31.575 29.460 0.288 0.000 1.399 137 W HN 0.582 nan 8.180 nan 0.000 0.514 138 Q N 4.548 123.986 119.800 -0.602 0.000 2.304 138 Q HA 0.247 4.593 4.340 0.010 0.000 0.270 138 Q C -0.884 174.383 176.000 -1.222 0.000 1.035 138 Q CA -0.367 54.919 55.803 -0.862 0.000 0.781 138 Q CB 2.161 30.354 28.738 -0.909 0.000 1.261 138 Q HN 0.585 nan 8.270 nan 0.000 0.444 139 D N 0.983 120.831 120.400 -0.920 0.000 2.624 139 D HA 0.250 4.896 4.640 0.010 0.000 0.257 139 D C 0.546 176.571 176.300 -0.457 0.000 1.167 139 D CA -0.245 53.380 54.000 -0.625 0.000 1.086 139 D CB 0.186 40.815 40.800 -0.286 0.000 1.210 139 D HN 0.421 nan 8.370 nan 0.000 0.631 140 S N -0.987 114.543 115.700 -0.284 0.000 2.419 140 S HA -0.124 4.352 4.470 0.010 0.000 0.235 140 S C 1.131 175.598 174.600 -0.223 0.000 1.019 140 S CA 1.029 59.094 58.200 -0.225 0.000 0.982 140 S CB -0.337 62.781 63.200 -0.136 0.000 0.789 140 S HN 0.525 nan 8.310 nan 0.000 0.490 141 K N 0.234 120.503 120.400 -0.218 0.000 2.517 141 K HA 0.389 4.715 4.320 0.010 0.000 0.210 141 K C 0.586 177.072 176.600 -0.190 0.000 1.166 141 K CA 0.214 56.399 56.287 -0.169 0.000 1.030 141 K CB 1.624 34.068 32.500 -0.093 0.000 0.974 141 K HN 0.345 nan 8.250 nan 0.000 0.585 142 G N 0.455 109.069 108.800 -0.311 0.000 2.341 142 G HA2 0.413 4.378 3.960 0.010 0.000 0.299 142 G HA3 0.413 4.378 3.960 0.010 0.000 0.299 142 G C -1.931 172.668 174.900 -0.500 0.000 1.274 142 G CA -0.844 44.075 45.100 -0.302 0.000 0.853 142 G HN -0.034 nan 8.290 nan 0.000 0.493 143 F N -0.129 119.827 119.950 0.011 0.000 2.538 143 F HA 0.757 5.291 4.527 0.011 0.000 0.325 143 F C 0.831 176.754 175.800 0.205 0.000 1.066 143 F CA -0.143 57.903 58.000 0.076 0.000 0.946 143 F CB 2.659 41.708 39.000 0.082 0.000 1.199 143 F HN 0.700 nan 8.300 nan 0.000 0.473 144 G N 0.527 109.662 108.800 0.557 0.000 2.482 144 G HA2 0.570 4.536 3.960 0.010 0.000 0.317 144 G HA3 0.570 4.536 3.960 0.010 0.000 0.317 144 G C -2.616 172.629 174.900 0.574 0.000 1.241 144 G CA -0.632 44.789 45.100 0.535 0.000 0.967 144 G HN 0.524 nan 8.290 nan 0.000 0.482 145 Y N 0.406 120.861 120.300 0.258 0.000 2.436 145 Y HA 0.636 5.191 4.550 0.007 0.000 0.327 145 Y C -0.810 175.173 175.900 0.138 0.000 1.138 145 Y CA -0.931 57.287 58.100 0.197 0.000 1.042 145 Y CB 1.937 40.482 38.460 0.142 0.000 1.302 145 Y HN 0.964 nan 8.280 nan 0.000 0.439 146 A N 3.284 125.872 122.820 -0.386 0.000 2.422 146 A HA 0.808 5.134 4.320 0.010 0.000 0.302 146 A C -0.892 176.456 177.584 -0.393 0.000 1.041 146 A CA -0.236 51.646 52.037 -0.258 0.000 0.708 146 A CB 1.245 20.233 19.000 -0.020 0.000 1.257 146 A HN 0.908 nan 8.150 nan 0.000 0.414 147 T N -0.628 113.812 114.554 -0.190 0.000 2.908 147 T HA 0.737 5.092 4.350 0.010 0.000 0.290 147 T C -0.935 173.799 174.700 0.058 0.000 1.034 147 T CA -0.650 61.379 62.100 -0.120 0.000 1.010 147 T CB 1.418 70.227 68.868 -0.100 0.000 1.068 147 T HN 1.449 nan 8.240 nan 0.000 0.481 148 L N 1.598 122.798 121.223 -0.038 0.000 2.464 148 L HA 0.591 4.937 4.340 0.010 0.000 0.266 148 L C -1.487 175.333 176.870 -0.082 0.000 0.965 148 L CA -0.402 54.372 54.840 -0.110 0.000 0.833 148 L CB 2.200 44.040 42.059 -0.366 0.000 1.296 148 L HN 0.833 nan 8.230 nan 0.000 0.405 149 D N 4.783 125.151 120.400 -0.053 0.000 2.456 149 D HA 0.124 4.770 4.640 0.010 0.000 0.219 149 D C 1.128 177.408 176.300 -0.032 0.000 1.126 149 D CA 0.057 54.043 54.000 -0.024 0.000 0.890 149 D CB 0.761 41.566 40.800 0.008 0.000 1.025 149 D HN 0.737 nan 8.370 nan 0.000 0.511 150 I N 2.358 122.909 120.570 -0.031 0.000 2.567 150 I HA -0.227 3.949 4.170 0.010 0.000 0.257 150 I C 1.569 177.765 176.117 0.132 0.000 1.184 150 I CA 0.797 62.101 61.300 0.007 0.000 1.451 150 I CB 0.347 38.348 38.000 0.002 0.000 1.089 150 I HN 0.208 nan 8.210 nan 0.000 0.441 151 S N -0.728 115.014 115.700 0.069 0.000 2.527 151 S HA -0.041 4.435 4.470 0.010 0.000 0.222 151 S C 1.714 176.372 174.600 0.097 0.000 0.985 151 S CA 1.002 59.237 58.200 0.059 0.000 0.921 151 S CB 0.041 63.248 63.200 0.012 0.000 0.772 151 S HN 0.696 nan 8.310 nan 0.000 0.529 152 S N -0.775 114.993 115.700 0.113 0.000 2.628 152 S HA 0.447 4.923 4.470 0.010 0.000 0.246 152 S C 1.376 176.043 174.600 0.111 0.000 1.062 152 S CA 0.695 58.958 58.200 0.105 0.000 1.028 152 S CB 0.427 63.661 63.200 0.056 0.000 0.985 152 S HN 0.631 nan 8.310 nan 0.000 0.551 153 G N 1.893 110.712 108.800 0.032 0.000 2.176 153 G HA2 -0.298 3.668 3.960 0.010 0.000 0.253 153 G HA3 -0.298 3.668 3.960 0.010 0.000 0.253 153 G C 0.071 174.939 174.900 -0.053 0.000 0.979 153 G CA 0.135 45.146 45.100 -0.148 0.000 0.641 153 G HN 0.733 nan 8.290 nan 0.000 0.530 154 R N 0.088 120.591 120.500 0.005 0.000 2.404 154 R HA 0.440 4.786 4.340 0.010 0.000 0.315 154 R C -0.976 175.388 176.300 0.107 0.000 1.032 154 R CA -0.345 55.786 56.100 0.052 0.000 0.992 154 R CB -0.156 30.177 30.300 0.054 0.000 0.959 154 R HN 0.060 nan 8.270 nan 0.000 0.428 155 F N 5.767 125.675 119.950 -0.070 0.000 2.500 155 F HA 0.469 5.004 4.527 0.013 0.000 0.349 155 F C -0.927 174.829 175.800 -0.074 0.000 1.127 155 F CA -1.200 56.756 58.000 -0.073 0.000 0.998 155 F CB 0.872 39.834 39.000 -0.063 0.000 1.237 155 F HN 0.466 nan 8.300 nan 0.000 0.439 156 R N 5.281 125.876 120.500 0.157 0.000 2.778 156 R HA 0.670 5.016 4.340 0.010 0.000 0.277 156 R C -1.541 174.713 176.300 -0.076 0.000 0.977 156 R CA -1.064 55.028 56.100 -0.013 0.000 0.950 156 R CB 2.749 33.068 30.300 0.032 0.000 1.165 156 R HN 0.811 nan 8.270 nan 0.000 0.474 157 L N 0.367 121.540 121.223 -0.084 0.000 2.431 157 L HA 0.641 4.987 4.340 0.010 0.000 0.266 157 L C -0.967 175.921 176.870 0.030 0.000 0.978 157 L CA -0.187 54.617 54.840 -0.061 0.000 0.822 157 L CB 2.032 44.011 42.059 -0.134 0.000 1.310 157 L HN 0.909 nan 8.230 nan 0.000 0.409 158 S N 2.061 117.827 115.700 0.109 0.000 2.588 158 S HA 0.561 5.037 4.470 0.010 0.000 0.269 158 S C -1.289 173.428 174.600 0.195 0.000 1.157 158 S CA -0.870 57.415 58.200 0.142 0.000 0.824 158 S CB 1.977 65.275 63.200 0.164 0.000 1.126 158 S HN 0.718 nan 8.310 nan 0.000 0.464 159 E N 1.088 121.386 120.200 0.163 0.000 3.386 159 E HA 0.308 4.664 4.350 0.010 0.000 0.236 159 E C -2.868 173.832 176.600 0.167 0.000 1.227 159 E CA -1.707 54.807 56.400 0.190 0.000 0.970 159 E CB 1.030 30.824 29.700 0.157 0.000 1.343 159 E HN 0.393 nan 8.360 nan 0.000 0.397 160 P HA -0.102 nan 4.420 nan 0.000 0.261 160 P C 0.410 177.827 177.300 0.195 0.000 1.173 160 P CA 0.339 63.511 63.100 0.119 0.000 0.760 160 P CB 0.940 32.654 31.700 0.023 0.000 0.783 161 A N 3.209 126.109 122.820 0.134 0.000 2.016 161 A HA 0.025 4.351 4.320 0.010 0.000 0.217 161 A C 0.580 178.257 177.584 0.155 0.000 1.162 161 A CA 1.247 53.359 52.037 0.124 0.000 0.662 161 A CB -0.514 18.530 19.000 0.074 0.000 0.812 161 A HN 0.658 nan 8.150 nan 0.000 0.450 162 D N -3.842 116.665 120.400 0.178 0.000 2.610 162 D HA 0.295 4.941 4.640 0.010 0.000 0.271 162 D C 0.581 176.988 176.300 0.179 0.000 1.174 162 D CA -0.796 53.318 54.000 0.190 0.000 0.949 162 D CB 0.494 41.348 40.800 0.089 0.000 1.430 162 D HN -0.100 nan 8.370 nan 0.000 0.467 163 R N -0.418 120.195 120.500 0.187 0.000 2.105 163 R HA -0.186 4.160 4.340 0.010 0.000 0.239 163 R C 0.908 177.148 176.300 -0.099 0.000 1.135 163 R CA 1.678 57.784 56.100 0.010 0.000 0.967 163 R CB -0.016 30.323 30.300 0.065 0.000 0.861 163 R HN 0.509 nan 8.270 nan 0.000 0.442 164 E N -0.753 119.431 120.200 -0.028 0.000 2.106 164 E HA -0.111 4.245 4.350 0.010 0.000 0.192 164 E C 1.923 178.484 176.600 -0.065 0.000 0.984 164 E CA 1.972 58.355 56.400 -0.029 0.000 0.806 164 E CB -0.074 29.644 29.700 0.029 0.000 0.750 164 E HN 0.555 nan 8.360 nan 0.000 0.458 165 T N -1.615 112.900 114.554 -0.065 0.000 2.978 165 T HA -0.033 4.323 4.350 0.010 0.000 0.262 165 T C 1.840 176.439 174.700 -0.167 0.000 1.063 165 T CA 0.732 62.781 62.100 -0.086 0.000 1.140 165 T CB -0.124 68.721 68.868 -0.039 0.000 0.886 165 T HN -0.038 nan 8.240 nan 0.000 0.470 166 M N 2.818 122.260 119.600 -0.263 0.000 2.065 166 M HA 0.165 4.650 4.480 0.010 0.000 0.259 166 M C 2.538 178.607 176.300 -0.383 0.000 1.069 166 M CA 1.718 56.742 55.300 -0.459 0.000 1.110 166 M CB -1.140 30.892 32.600 -0.947 0.000 1.328 166 M HN 0.340 nan 8.290 nan 0.000 0.405 167 A N -0.350 122.296 122.820 -0.290 0.000 1.917 167 A HA -0.073 4.252 4.320 0.010 0.000 0.219 167 A C 2.371 179.854 177.584 -0.168 0.000 1.182 167 A CA 2.460 54.375 52.037 -0.203 0.000 0.633 167 A CB -1.536 17.384 19.000 -0.133 0.000 0.819 167 A HN 0.677 nan 8.150 nan 0.000 0.448 168 A N -0.670 122.063 122.820 -0.145 0.000 1.898 168 A HA -0.121 4.205 4.320 0.010 0.000 0.216 168 A C 1.968 179.475 177.584 -0.127 0.000 1.181 168 A CA 2.077 54.048 52.037 -0.110 0.000 0.620 168 A CB -0.464 18.481 19.000 -0.093 0.000 0.819 168 A HN 0.548 nan 8.150 nan 0.000 0.442 169 E N 0.146 120.239 120.200 -0.179 0.000 2.051 169 E HA -0.128 4.228 4.350 0.010 0.000 0.192 169 E C 1.837 178.302 176.600 -0.225 0.000 0.991 169 E CA 1.212 57.495 56.400 -0.195 0.000 0.799 169 E CB -0.387 29.144 29.700 -0.281 0.000 0.748 169 E HN 0.584 nan 8.360 nan 0.000 0.449 170 L N 0.314 121.347 121.223 -0.318 0.000 2.079 170 L HA -0.231 4.115 4.340 0.010 0.000 0.210 170 L C 2.775 179.577 176.870 -0.113 0.000 1.081 170 L CA 1.864 56.569 54.840 -0.225 0.000 0.752 170 L CB -0.440 41.480 42.059 -0.231 0.000 0.896 170 L HN 0.320 nan 8.230 nan 0.000 0.433 171 Q N 0.240 119.972 119.800 -0.114 0.000 2.123 171 Q HA -0.229 4.117 4.340 0.010 0.000 0.199 171 Q C 2.309 178.239 176.000 -0.116 0.000 0.966 171 Q CA 1.290 57.041 55.803 -0.088 0.000 0.845 171 Q CB -0.057 28.642 28.738 -0.065 0.000 0.907 171 Q HN 0.335 nan 8.270 nan 0.000 0.439 172 R N 0.052 120.477 120.500 -0.125 0.000 2.070 172 R HA -0.122 4.224 4.340 0.010 0.000 0.233 172 R C 2.243 178.428 176.300 -0.191 0.000 1.137 172 R CA 2.158 58.136 56.100 -0.204 0.000 0.945 172 R CB -0.468 29.776 30.300 -0.093 0.000 0.845 172 R HN 0.501 nan 8.270 nan 0.000 0.430 173 T N -1.806 112.714 114.554 -0.055 0.000 3.043 173 T HA -0.063 4.293 4.350 0.010 0.000 0.263 173 T C 0.762 175.465 174.700 0.004 0.000 1.094 173 T CA 0.565 62.673 62.100 0.013 0.000 1.127 173 T CB -0.361 68.598 68.868 0.152 0.000 0.905 173 T HN 0.466 nan 8.240 nan 0.000 0.490 174 N N 2.337 121.030 118.700 -0.013 0.000 2.686 174 N HA -0.093 4.653 4.740 0.010 0.000 0.261 174 N C -2.720 172.795 175.510 0.008 0.000 1.001 174 N CA 0.179 53.219 53.050 -0.016 0.000 0.764 174 N CB -1.086 37.375 38.487 -0.043 0.000 0.898 174 N HN 0.354 nan 8.380 nan 0.000 0.544 175 P HA 0.094 nan 4.420 nan 0.000 0.266 175 P C 0.368 177.674 177.300 0.011 0.000 1.195 175 P CA 0.366 63.486 63.100 0.032 0.000 0.768 175 P CB 0.540 32.276 31.700 0.059 0.000 0.838 176 A N 2.122 124.943 122.820 0.003 0.000 2.072 176 A HA -0.012 4.314 4.320 0.010 0.000 0.216 176 A C 0.808 178.391 177.584 -0.001 0.000 1.156 176 A CA 1.029 53.066 52.037 0.000 0.000 0.701 176 A CB -0.375 18.625 19.000 -0.000 0.000 0.816 176 A HN 0.646 nan 8.150 nan 0.000 0.458 177 E N -0.972 119.223 120.200 -0.008 0.000 2.308 177 E HA 0.529 4.884 4.350 0.010 0.000 0.275 177 E C -2.171 174.403 176.600 -0.042 0.000 0.890 177 E CA -0.714 55.673 56.400 -0.023 0.000 0.754 177 E CB 1.615 31.304 29.700 -0.019 0.000 1.207 177 E HN 0.110 nan 8.360 nan 0.000 0.426 178 L N 5.690 126.889 121.223 -0.039 0.000 2.415 178 L HA 0.425 4.771 4.340 0.010 0.000 0.268 178 L C -1.813 175.057 176.870 0.000 0.000 0.984 178 L CA -0.390 54.444 54.840 -0.009 0.000 0.853 178 L CB 1.236 43.307 42.059 0.020 0.000 1.215 178 L HN 0.573 nan 8.230 nan 0.000 0.419 179 L N 5.988 127.178 121.223 -0.055 0.000 2.290 179 L HA 0.431 4.777 4.340 0.010 0.000 0.284 179 L C -0.846 176.133 176.870 0.182 0.000 1.078 179 L CA -0.607 54.202 54.840 -0.052 0.000 0.815 179 L CB 0.465 42.397 42.059 -0.212 0.000 1.162 179 L HN 0.672 nan 8.230 nan 0.000 0.435 180 Y N 1.648 121.967 120.300 0.032 0.000 2.477 180 Y HA 0.787 5.342 4.550 0.008 0.000 0.347 180 Y C -0.213 175.689 175.900 0.002 0.000 0.981 180 Y CA -1.548 56.537 58.100 -0.024 0.000 1.033 180 Y CB 1.105 39.371 38.460 -0.324 0.000 1.245 180 Y HN 0.598 nan 8.280 nan 0.000 0.455 181 A N 3.329 126.019 122.820 -0.218 0.000 2.511 181 A HA 0.154 4.480 4.320 0.010 0.000 0.242 181 A C 1.275 178.805 177.584 -0.091 0.000 1.069 181 A CA 0.131 51.935 52.037 -0.388 0.000 0.763 181 A CB -0.069 18.556 19.000 -0.626 0.000 1.001 181 A HN 1.047 nan 8.150 nan 0.000 0.498 182 E N 1.728 121.870 120.200 -0.097 0.000 2.187 182 E HA -0.290 4.065 4.350 0.010 0.000 0.199 182 E C 0.416 177.065 176.600 0.083 0.000 1.004 182 E CA 1.644 58.035 56.400 -0.015 0.000 0.813 182 E CB -0.305 29.396 29.700 0.002 0.000 0.736 182 E HN 0.751 nan 8.360 nan 0.000 0.468 183 D N 0.270 120.702 120.400 0.055 0.000 2.336 183 D HA -0.056 4.590 4.640 0.010 0.000 0.228 183 D C -0.265 176.041 176.300 0.009 0.000 1.120 183 D CA -0.603 53.411 54.000 0.022 0.000 0.839 183 D CB -0.759 40.025 40.800 -0.026 0.000 0.932 183 D HN 0.169 nan 8.370 nan 0.000 0.509 184 F N 1.242 121.177 119.950 -0.025 0.000 2.571 184 F HA 0.330 4.862 4.527 0.010 0.000 0.384 184 F C 1.390 177.174 175.800 -0.026 0.000 1.058 184 F CA -0.268 57.715 58.000 -0.028 0.000 1.200 184 F CB 1.063 40.142 39.000 0.132 0.000 1.077 184 F HN 0.045 nan 8.300 nan 0.000 0.558 185 A N 3.959 126.500 122.820 -0.465 0.000 1.911 185 A HA 0.006 4.331 4.320 0.010 0.000 0.212 185 A C 1.152 178.598 177.584 -0.230 0.000 1.189 185 A CA 0.448 52.316 52.037 -0.282 0.000 0.639 185 A CB -0.326 18.494 19.000 -0.300 0.000 0.839 185 A HN 0.615 nan 8.150 nan 0.000 0.449 186 E N 0.585 120.530 120.200 -0.425 0.000 2.261 186 E HA 0.191 4.547 4.350 0.010 0.000 0.308 186 E C 0.936 177.630 176.600 0.157 0.000 1.400 186 E CA -0.148 56.178 56.400 -0.123 0.000 1.542 186 E CB -0.388 29.282 29.700 -0.050 0.000 1.369 186 E HN 0.315 nan 8.360 nan 0.000 0.493 187 M N 0.211 119.900 119.600 0.150 0.000 2.374 187 M HA -0.118 4.367 4.480 0.010 0.000 0.264 187 M C 1.779 178.115 176.300 0.059 0.000 1.067 187 M CA 0.985 56.378 55.300 0.155 0.000 1.103 187 M CB -0.977 31.664 32.600 0.067 0.000 1.402 187 M HN 0.398 nan 8.290 nan 0.000 0.444 188 S N 0.247 115.975 115.700 0.047 0.000 2.442 188 S HA -0.096 4.380 4.470 0.010 0.000 0.236 188 S C 1.937 176.539 174.600 0.003 0.000 1.007 188 S CA 0.837 59.046 58.200 0.015 0.000 0.965 188 S CB -0.851 62.356 63.200 0.012 0.000 0.773 188 S HN 0.488 nan 8.310 nan 0.000 0.504 189 L N 0.848 122.088 121.223 0.029 0.000 2.141 189 L HA 0.086 4.432 4.340 0.010 0.000 0.209 189 L C 2.445 179.274 176.870 -0.068 0.000 1.094 189 L CA 1.555 56.385 54.840 -0.017 0.000 0.763 189 L CB -0.393 41.673 42.059 0.011 0.000 0.908 189 L HN 0.557 nan 8.230 nan 0.000 0.437 190 I N -3.407 117.107 120.570 -0.093 0.000 4.471 190 I HA 0.144 4.319 4.170 0.010 0.000 0.326 190 I C 0.945 176.956 176.117 -0.176 0.000 1.300 190 I CA -0.417 60.773 61.300 -0.184 0.000 1.237 190 I CB -0.017 37.765 38.000 -0.364 0.000 1.195 190 I HN 0.075 nan 8.210 nan 0.000 0.427 191 E N 2.791 122.903 120.200 -0.148 0.000 2.442 191 E HA 0.196 4.552 4.350 0.010 0.000 0.262 191 E C 1.047 177.605 176.600 -0.070 0.000 1.004 191 E CA 0.449 56.779 56.400 -0.117 0.000 0.928 191 E CB 0.435 30.091 29.700 -0.072 0.000 0.937 191 E HN 0.471 nan 8.360 nan 0.000 0.446 192 G N 2.876 111.645 108.800 -0.051 0.000 2.168 192 G HA2 -0.341 3.625 3.960 0.010 0.000 0.257 192 G HA3 -0.341 3.625 3.960 0.010 0.000 0.257 192 G C 0.178 175.058 174.900 -0.034 0.000 0.997 192 G CA 0.490 45.572 45.100 -0.031 0.000 0.708 192 G HN 0.574 nan 8.290 nan 0.000 0.520 193 R N 0.246 120.716 120.500 -0.050 0.000 2.531 193 R HA 0.402 4.747 4.340 0.010 0.000 0.273 193 R C 1.345 177.630 176.300 -0.025 0.000 1.070 193 R CA -0.437 55.638 56.100 -0.041 0.000 1.112 193 R CB 0.607 30.873 30.300 -0.057 0.000 1.049 193 R HN 0.605 nan 8.270 nan 0.000 0.508 194 R N 0.131 120.623 120.500 -0.014 0.000 2.694 194 R HA 0.146 4.492 4.340 0.010 0.000 0.268 194 R C 0.395 176.694 176.300 -0.001 0.000 1.061 194 R CA 0.508 56.605 56.100 -0.004 0.000 1.133 194 R CB 0.230 30.529 30.300 -0.002 0.000 1.020 194 R HN 0.788 nan 8.270 nan 0.000 0.475 195 G N 1.874 110.679 108.800 0.008 0.000 2.198 195 G HA2 -0.265 3.701 3.960 0.010 0.000 0.260 195 G HA3 -0.265 3.701 3.960 0.010 0.000 0.260 195 G C 0.113 175.023 174.900 0.016 0.000 1.025 195 G CA 0.103 45.209 45.100 0.011 0.000 0.769 195 G HN 0.520 nan 8.290 nan 0.000 0.507 196 L N -0.054 121.189 121.223 0.033 0.000 2.490 196 L HA 0.304 4.650 4.340 0.010 0.000 0.274 196 L C 0.571 177.508 176.870 0.112 0.000 1.201 196 L CA 0.189 55.082 54.840 0.088 0.000 0.869 196 L CB 0.408 42.522 42.059 0.092 0.000 1.123 196 L HN 0.124 nan 8.230 nan 0.000 0.484 197 R N 3.977 124.556 120.500 0.132 0.000 2.507 197 R HA 0.306 4.652 4.340 0.010 0.000 0.298 197 R C -0.677 175.505 176.300 -0.197 0.000 1.087 197 R CA -0.711 55.382 56.100 -0.012 0.000 0.917 197 R CB 1.422 31.637 30.300 -0.143 0.000 1.173 197 R HN 0.557 nan 8.270 nan 0.000 0.472 198 R N 2.317 122.627 120.500 -0.315 0.000 2.438 198 R HA 0.280 4.625 4.340 0.010 0.000 0.287 198 R C -0.375 175.696 176.300 -0.382 0.000 1.077 198 R CA -0.174 55.467 56.100 -0.765 0.000 1.034 198 R CB 0.611 30.647 30.300 -0.441 0.000 0.993 198 R HN 0.309 nan 8.270 nan 0.000 0.459 199 R N 3.987 124.278 120.500 -0.348 0.000 2.854 199 R HA 0.464 4.810 4.340 0.010 0.000 0.271 199 R C -2.632 173.618 176.300 -0.084 0.000 0.994 199 R CA -2.777 53.243 56.100 -0.133 0.000 0.945 199 R CB 1.171 31.466 30.300 -0.008 0.000 1.194 199 R HN 0.538 nan 8.270 nan 0.000 0.476 200 P HA 0.112 nan 4.420 nan 0.000 0.275 200 P C 0.878 178.144 177.300 -0.057 0.000 1.227 200 P CA -0.563 62.484 63.100 -0.087 0.000 0.781 200 P CB 0.637 32.264 31.700 -0.123 0.000 0.906 201 L N 3.589 124.870 121.223 0.097 0.000 2.137 201 L HA -0.149 4.197 4.340 0.010 0.000 0.213 201 L C 1.808 178.816 176.870 0.229 0.000 1.085 201 L CA 1.711 56.673 54.840 0.202 0.000 0.760 201 L CB -1.343 40.843 42.059 0.211 0.000 0.893 201 L HN 0.603 nan 8.230 nan 0.000 0.434 202 W N -0.866 120.527 121.300 0.154 0.000 2.525 202 W HA -0.107 4.558 4.660 0.008 0.000 0.259 202 W C 1.304 177.856 176.519 0.055 0.000 1.253 202 W CA 0.649 58.047 57.345 0.088 0.000 1.262 202 W CB -0.829 28.661 29.460 0.050 0.000 1.122 202 W HN 0.311 nan 8.180 nan 0.000 0.607 203 E N -0.045 119.874 120.200 -0.468 0.000 2.482 203 E HA -0.050 4.306 4.350 0.010 0.000 0.196 203 E C 0.723 177.040 176.600 -0.471 0.000 1.047 203 E CA 0.637 56.662 56.400 -0.626 0.000 0.869 203 E CB -0.278 28.901 29.700 -0.869 0.000 0.836 203 E HN 0.255 nan 8.360 nan 0.000 0.520 204 F N 0.681 120.480 119.950 -0.252 0.000 2.661 204 F HA 0.138 4.669 4.527 0.007 0.000 0.306 204 F C 0.968 176.521 175.800 -0.412 0.000 1.094 204 F CA -0.255 57.504 58.000 -0.401 0.000 1.254 204 F CB 0.624 39.285 39.000 -0.565 0.000 1.040 204 F HN -0.186 nan 8.300 nan 0.000 0.562 205 E N 1.637 121.808 120.200 -0.048 0.000 2.415 205 E HA -0.046 4.309 4.350 0.010 0.000 0.263 205 E C 1.308 177.868 176.600 -0.067 0.000 0.995 205 E CA 0.036 56.423 56.400 -0.021 0.000 0.915 205 E CB 0.843 30.593 29.700 0.084 0.000 0.951 205 E HN 0.275 nan 8.360 nan 0.000 0.449 206 I N 5.005 125.535 120.570 -0.067 0.000 2.179 206 I HA -0.270 3.906 4.170 0.010 0.000 0.242 206 I C 1.300 177.400 176.117 -0.029 0.000 1.088 206 I CA 1.598 62.861 61.300 -0.062 0.000 1.357 206 I CB -0.116 37.865 38.000 -0.031 0.000 1.051 206 I HN 0.496 nan 8.210 nan 0.000 0.409 207 D N 0.032 120.428 120.400 -0.006 0.000 2.104 207 D HA -0.194 4.452 4.640 0.010 0.000 0.194 207 D C 2.338 178.637 176.300 -0.001 0.000 0.994 207 D CA 2.252 56.253 54.000 0.002 0.000 0.830 207 D CB -0.639 40.168 40.800 0.011 0.000 0.959 207 D HN 0.556 nan 8.370 nan 0.000 0.452 208 T N -1.218 113.339 114.554 0.005 0.000 2.821 208 T HA 0.020 4.376 4.350 0.010 0.000 0.267 208 T C 2.104 176.792 174.700 -0.021 0.000 1.046 208 T CA 1.421 63.525 62.100 0.008 0.000 1.139 208 T CB -0.411 68.487 68.868 0.050 0.000 0.871 208 T HN 0.093 nan 8.240 nan 0.000 0.454 209 A N 2.462 125.254 122.820 -0.046 0.000 1.892 209 A HA -0.152 4.174 4.320 0.010 0.000 0.218 209 A C 2.610 180.162 177.584 -0.054 0.000 1.188 209 A CA 1.826 53.819 52.037 -0.073 0.000 0.631 209 A CB -0.736 18.203 19.000 -0.103 0.000 0.822 209 A HN 0.573 nan 8.150 nan 0.000 0.447 210 R N -1.112 119.370 120.500 -0.031 0.000 2.066 210 R HA -0.143 4.202 4.340 0.010 0.000 0.232 210 R C 2.609 178.902 176.300 -0.012 0.000 1.131 210 R CA 1.494 57.589 56.100 -0.009 0.000 0.955 210 R CB -0.395 29.909 30.300 0.008 0.000 0.851 210 R HN 0.788 nan 8.270 nan 0.000 0.432 211 Q N 0.450 120.242 119.800 -0.014 0.000 2.077 211 Q HA -0.233 4.113 4.340 0.010 0.000 0.206 211 Q C 2.045 178.022 176.000 -0.038 0.000 0.989 211 Q CA 1.521 57.315 55.803 -0.015 0.000 0.853 211 Q CB 0.171 28.903 28.738 -0.010 0.000 0.907 211 Q HN 0.287 nan 8.270 nan 0.000 0.418 212 Q N 0.094 119.860 119.800 -0.056 0.000 2.049 212 Q HA -0.093 4.253 4.340 0.010 0.000 0.198 212 Q C 2.327 178.224 176.000 -0.172 0.000 0.971 212 Q CA 1.040 56.789 55.803 -0.090 0.000 0.833 212 Q CB -0.297 28.395 28.738 -0.078 0.000 0.896 212 Q HN 0.441 nan 8.270 nan 0.000 0.434 213 L N 1.143 122.250 121.223 -0.192 0.000 1.989 213 L HA -0.234 4.112 4.340 0.010 0.000 0.211 213 L C 2.156 178.794 176.870 -0.386 0.000 1.071 213 L CA 1.152 55.758 54.840 -0.390 0.000 0.749 213 L CB -0.635 41.304 42.059 -0.199 0.000 0.890 213 L HN 0.249 nan 8.230 nan 0.000 0.431 214 N N 0.037 118.688 118.700 -0.081 0.000 2.205 214 N HA -0.203 4.543 4.740 0.010 0.000 0.186 214 N C 1.826 177.340 175.510 0.007 0.000 1.015 214 N CA 1.317 54.400 53.050 0.055 0.000 0.862 214 N CB -0.216 38.315 38.487 0.073 0.000 0.986 214 N HN 0.197 nan 8.380 nan 0.000 0.429 215 L N 1.672 122.857 121.223 -0.063 0.000 2.056 215 L HA -0.128 4.218 4.340 0.010 0.000 0.207 215 L C 2.420 179.242 176.870 -0.080 0.000 1.078 215 L CA 1.645 56.456 54.840 -0.049 0.000 0.749 215 L CB -0.739 41.287 42.059 -0.055 0.000 0.901 215 L HN 0.012 nan 8.230 nan 0.000 0.433 216 Q N -0.812 118.857 119.800 -0.218 0.000 2.124 216 Q HA -0.177 4.168 4.340 0.010 0.000 0.202 216 Q C 1.654 177.589 176.000 -0.108 0.000 0.977 216 Q CA 2.014 57.656 55.803 -0.269 0.000 0.850 216 Q CB -0.321 28.106 28.738 -0.519 0.000 0.901 216 Q HN 0.515 nan 8.270 nan 0.000 0.429 217 F N -0.875 119.114 119.950 0.065 0.000 2.776 217 F HA 0.383 4.914 4.527 0.008 0.000 0.300 217 F C 1.544 177.429 175.800 0.142 0.000 1.116 217 F CA 0.284 58.353 58.000 0.115 0.000 1.375 217 F CB -0.215 38.902 39.000 0.195 0.000 1.109 217 F HN 0.193 nan 8.300 nan 0.000 0.585 218 G N 1.554 110.493 108.800 0.231 0.000 2.246 218 G HA2 -0.244 3.722 3.960 0.010 0.000 0.273 218 G HA3 -0.244 3.722 3.960 0.010 0.000 0.273 218 G C 0.206 175.201 174.900 0.159 0.000 1.055 218 G CA 0.481 45.675 45.100 0.157 0.000 0.851 218 G HN 0.516 nan 8.290 nan 0.000 0.500 219 T N -3.807 110.864 114.554 0.195 0.000 2.942 219 T HA 0.712 5.067 4.350 0.010 0.000 0.289 219 T C 1.008 175.767 174.700 0.099 0.000 1.044 219 T CA -0.260 61.931 62.100 0.152 0.000 1.023 219 T CB 2.390 71.393 68.868 0.225 0.000 1.123 219 T HN 0.170 nan 8.240 nan 0.000 0.512 220 R N 0.237 120.771 120.500 0.057 0.000 2.112 220 R HA 0.114 4.460 4.340 0.010 0.000 0.216 220 R C -0.258 176.069 176.300 0.045 0.000 1.080 220 R CA 1.263 57.387 56.100 0.039 0.000 0.996 220 R CB -0.010 30.301 30.300 0.018 0.000 0.902 220 R HN 0.925 nan 8.270 nan 0.000 0.449 221 D N -2.677 117.752 120.400 0.048 0.000 2.664 221 D HA 0.109 4.755 4.640 0.010 0.000 0.292 221 D C -0.087 176.264 176.300 0.086 0.000 1.214 221 D CA -0.716 53.319 54.000 0.058 0.000 0.932 221 D CB 0.479 41.294 40.800 0.025 0.000 1.420 221 D HN -0.070 nan 8.370 nan 0.000 0.471 222 L N 0.798 122.088 121.223 0.112 0.000 2.769 222 L HA 0.222 4.567 4.340 0.010 0.000 0.240 222 L C 1.422 178.334 176.870 0.069 0.000 1.163 222 L CA -0.245 54.718 54.840 0.206 0.000 0.962 222 L CB 0.315 42.529 42.059 0.259 0.000 1.258 222 L HN 0.319 nan 8.230 nan 0.000 0.513 223 V N 0.880 120.782 119.914 -0.020 0.000 2.287 223 V HA -0.246 3.880 4.120 0.010 0.000 0.248 223 V C 2.562 178.594 176.094 -0.103 0.000 1.053 223 V CA 2.383 64.656 62.300 -0.044 0.000 1.027 223 V CB -0.869 30.927 31.823 -0.046 0.000 0.646 223 V HN 0.636 nan 8.190 nan 0.000 0.447 224 G N -1.250 107.406 108.800 -0.240 0.000 2.498 224 G HA2 -0.198 3.768 3.960 0.010 0.000 0.219 224 G HA3 -0.198 3.768 3.960 0.010 0.000 0.219 224 G C 1.200 175.898 174.900 -0.337 0.000 1.119 224 G CA 0.401 45.306 45.100 -0.326 0.000 0.766 224 G HN 0.506 nan 8.290 nan 0.000 0.552 225 F N 0.370 120.278 119.950 -0.070 0.000 2.789 225 F HA 0.304 4.835 4.527 0.007 0.000 0.300 225 F C 2.073 177.824 175.800 -0.082 0.000 1.132 225 F CA -0.215 57.719 58.000 -0.109 0.000 1.404 225 F CB -0.055 38.847 39.000 -0.164 0.000 1.114 225 F HN 0.217 nan 8.300 nan 0.000 0.584 226 G N 0.674 109.518 108.800 0.073 0.000 2.176 226 G HA2 -0.246 3.720 3.960 0.010 0.000 0.252 226 G HA3 -0.246 3.720 3.960 0.010 0.000 0.252 226 G C 0.723 175.649 174.900 0.044 0.000 1.024 226 G CA 0.569 45.691 45.100 0.037 0.000 0.755 226 G HN 0.646 nan 8.290 nan 0.000 0.507 227 V N -3.357 116.598 119.914 0.069 0.000 3.432 227 V HA 0.549 4.675 4.120 0.010 0.000 0.298 227 V C 1.722 177.846 176.094 0.050 0.000 1.464 227 V CA 1.294 63.622 62.300 0.047 0.000 1.046 227 V CB 0.878 32.714 31.823 0.022 0.000 0.887 227 V HN 0.227 nan 8.190 nan 0.000 0.441 228 E N 3.099 123.332 120.200 0.056 0.000 2.171 228 E HA -0.189 4.167 4.350 0.010 0.000 0.197 228 E C 1.277 177.898 176.600 0.036 0.000 0.997 228 E CA 2.056 58.485 56.400 0.048 0.000 0.810 228 E CB -0.196 29.525 29.700 0.036 0.000 0.738 228 E HN 0.776 nan 8.360 nan 0.000 0.467 229 N N -0.292 118.428 118.700 0.032 0.000 2.389 229 N HA 0.210 4.956 4.740 0.010 0.000 0.260 229 N C -0.933 174.600 175.510 0.039 0.000 1.191 229 N CA 0.554 53.623 53.050 0.032 0.000 0.885 229 N CB 1.447 39.950 38.487 0.026 0.000 1.162 229 N HN 0.096 nan 8.380 nan 0.000 0.512 230 A N 1.179 124.023 122.820 0.041 0.000 3.218 230 A HA 0.443 4.769 4.320 0.010 0.000 0.321 230 A C -1.650 175.968 177.584 0.058 0.000 1.012 230 A CA -1.200 50.868 52.037 0.052 0.000 0.948 230 A CB 0.690 19.717 19.000 0.044 0.000 1.050 230 A HN -0.096 nan 8.150 nan 0.000 0.492 231 P HA -0.189 nan 4.420 nan 0.000 0.215 231 P C 1.669 179.020 177.300 0.085 0.000 1.153 231 P CA 1.173 64.307 63.100 0.057 0.000 0.853 231 P CB 0.114 31.855 31.700 0.069 0.000 0.788 232 R N -0.706 119.899 120.500 0.173 0.000 2.094 232 R HA -0.103 4.243 4.340 0.010 0.000 0.239 232 R C 2.585 179.037 176.300 0.253 0.000 1.137 232 R CA 1.893 58.187 56.100 0.324 0.000 0.943 232 R CB -1.628 28.883 30.300 0.351 0.000 0.850 232 R HN 0.248 nan 8.270 nan 0.000 0.433 233 G N 1.051 109.959 108.800 0.179 0.000 2.418 233 G HA2 -0.224 3.741 3.960 0.010 0.000 0.217 233 G HA3 -0.224 3.741 3.960 0.010 0.000 0.217 233 G C 1.476 176.398 174.900 0.038 0.000 1.158 233 G CA 0.462 45.640 45.100 0.129 0.000 0.771 233 G HN 0.132 nan 8.290 nan 0.000 0.545 234 L N 0.053 121.277 121.223 0.002 0.000 2.083 234 L HA -0.129 4.217 4.340 0.010 0.000 0.209 234 L C 3.048 179.858 176.870 -0.101 0.000 1.083 234 L CA 0.740 55.551 54.840 -0.048 0.000 0.752 234 L CB -0.510 41.531 42.059 -0.030 0.000 0.899 234 L HN 0.268 nan 8.230 nan 0.000 0.433 235 C N -0.349 118.855 119.300 -0.159 0.000 2.432 235 C HA -0.151 4.314 4.460 0.010 0.000 0.277 235 C C 3.146 178.009 174.990 -0.212 0.000 1.249 235 C CA 0.752 59.579 59.018 -0.319 0.000 1.725 235 C CB -1.051 26.202 27.740 -0.812 0.000 2.028 235 C HN 0.625 nan 8.230 nan 0.000 0.477 236 A N 0.544 123.361 122.820 -0.005 0.000 1.902 236 A HA 0.070 4.396 4.320 0.010 0.000 0.217 236 A C 2.371 179.922 177.584 -0.056 0.000 1.181 236 A CA 2.080 54.178 52.037 0.101 0.000 0.623 236 A CB -0.942 18.220 19.000 0.271 0.000 0.818 236 A HN 0.575 nan 8.150 nan 0.000 0.443 237 A N -0.455 122.345 122.820 -0.034 0.000 1.902 237 A HA 0.108 4.434 4.320 0.010 0.000 0.217 237 A C 2.405 179.995 177.584 0.010 0.000 1.181 237 A CA 1.942 53.992 52.037 0.022 0.000 0.623 237 A CB -1.384 17.542 19.000 -0.124 0.000 0.818 237 A HN 0.740 nan 8.150 nan 0.000 0.443 238 G N -1.107 107.626 108.800 -0.112 0.000 2.418 238 G HA2 -0.308 3.658 3.960 0.010 0.000 0.217 238 G HA3 -0.308 3.658 3.960 0.010 0.000 0.217 238 G C 1.789 176.544 174.900 -0.241 0.000 1.158 238 G CA 1.310 46.320 45.100 -0.151 0.000 0.771 238 G HN 0.636 nan 8.290 nan 0.000 0.545 239 C N -0.082 118.957 119.300 -0.436 0.000 2.446 239 C HA 0.190 4.656 4.460 0.010 0.000 0.277 239 C C 2.715 177.514 174.990 -0.317 0.000 1.275 239 C CA 0.861 59.515 59.018 -0.607 0.000 1.727 239 C CB -1.089 25.854 27.740 -1.329 0.000 2.010 239 C HN 0.424 nan 8.230 nan 0.000 0.486 240 L N 0.472 121.568 121.223 -0.211 0.000 2.012 240 L HA -0.109 4.237 4.340 0.010 0.000 0.210 240 L C 2.451 179.274 176.870 -0.079 0.000 1.073 240 L CA 1.912 56.690 54.840 -0.104 0.000 0.748 240 L CB -0.525 41.514 42.059 -0.033 0.000 0.891 240 L HN 0.468 nan 8.230 nan 0.000 0.431 241 L N -0.397 120.786 121.223 -0.066 0.000 2.093 241 L HA -0.233 4.113 4.340 0.010 0.000 0.208 241 L C 2.433 179.245 176.870 -0.096 0.000 1.085 241 L CA 1.683 56.458 54.840 -0.108 0.000 0.755 241 L CB -0.499 41.529 42.059 -0.051 0.000 0.904 241 L HN 0.318 nan 8.230 nan 0.000 0.435 242 Q N -1.883 117.866 119.800 -0.084 0.000 2.124 242 Q HA -0.250 4.096 4.340 0.010 0.000 0.202 242 Q C 2.125 178.104 176.000 -0.036 0.000 0.977 242 Q CA 1.990 57.755 55.803 -0.063 0.000 0.850 242 Q CB -0.354 28.338 28.738 -0.078 0.000 0.901 242 Q HN 0.598 nan 8.270 nan 0.000 0.429 243 Y N 0.665 120.872 120.300 -0.154 0.000 2.181 243 Y HA -0.257 4.299 4.550 0.010 0.000 0.288 243 Y C 2.210 178.045 175.900 -0.109 0.000 1.146 243 Y CA 1.410 59.435 58.100 -0.126 0.000 1.164 243 Y CB -0.337 38.040 38.460 -0.139 0.000 0.982 243 Y HN 0.110 nan 8.280 nan 0.000 0.515 244 A N 0.121 122.928 122.820 -0.022 0.000 1.902 244 A HA -0.215 4.110 4.320 0.010 0.000 0.217 244 A C 2.177 179.684 177.584 -0.129 0.000 1.181 244 A CA 2.051 54.029 52.037 -0.099 0.000 0.623 244 A CB -0.518 18.392 19.000 -0.150 0.000 0.818 244 A HN 0.515 nan 8.150 nan 0.000 0.443 245 K N -0.782 119.549 120.400 -0.115 0.000 2.097 245 K HA -0.141 4.185 4.320 0.010 0.000 0.205 245 K C 1.722 178.262 176.600 -0.099 0.000 1.050 245 K CA 1.437 57.667 56.287 -0.094 0.000 0.938 245 K CB -0.185 32.270 32.500 -0.075 0.000 0.718 245 K HN 0.504 nan 8.250 nan 0.000 0.442 246 D N 0.218 120.539 120.400 -0.131 0.000 2.224 246 D HA -0.107 4.538 4.640 0.010 0.000 0.205 246 D C 1.863 178.057 176.300 -0.177 0.000 0.965 246 D CA 1.445 55.368 54.000 -0.128 0.000 0.852 246 D CB 0.165 40.885 40.800 -0.134 0.000 0.947 246 D HN 0.250 nan 8.370 nan 0.000 0.494 247 T N -2.561 111.830 114.554 -0.272 0.000 2.896 247 T HA -0.079 4.277 4.350 0.010 0.000 0.263 247 T C 1.726 176.336 174.700 -0.151 0.000 1.050 247 T CA 0.636 62.579 62.100 -0.262 0.000 1.140 247 T CB -0.079 68.583 68.868 -0.342 0.000 0.877 247 T HN 0.013 nan 8.240 nan 0.000 0.457 248 Q N 0.892 120.622 119.800 -0.117 0.000 2.226 248 Q HA 0.237 4.582 4.340 0.010 0.000 0.199 248 Q C 0.911 176.878 176.000 -0.055 0.000 0.945 248 Q CA 0.333 56.091 55.803 -0.075 0.000 0.861 248 Q CB -0.108 28.596 28.738 -0.057 0.000 0.953 248 Q HN 0.621 nan 8.270 nan 0.000 0.490 249 R N 1.067 121.535 120.500 -0.053 0.000 3.641 249 R HA -0.132 4.214 4.340 0.010 0.000 0.286 249 R C -0.128 176.159 176.300 -0.021 0.000 1.153 249 R CA 1.034 57.115 56.100 -0.032 0.000 0.775 249 R CB -2.703 27.584 30.300 -0.021 0.000 1.215 249 R HN 0.524 nan 8.270 nan 0.000 0.474 250 T N -4.473 110.066 114.554 -0.024 0.000 2.838 250 T HA 0.465 4.821 4.350 0.010 0.000 0.292 250 T C 0.378 175.069 174.700 -0.016 0.000 1.113 250 T CA -0.298 61.792 62.100 -0.017 0.000 1.008 250 T CB 2.055 70.910 68.868 -0.021 0.000 1.259 250 T HN 0.163 nan 8.240 nan 0.000 0.520 251 T N 0.327 114.876 114.554 -0.009 0.000 2.900 251 T HA 0.462 4.818 4.350 0.010 0.000 0.307 251 T C 0.171 174.882 174.700 0.018 0.000 1.065 251 T CA -0.689 61.411 62.100 -0.001 0.000 1.105 251 T CB -0.231 68.640 68.868 0.005 0.000 0.979 251 T HN 0.598 nan 8.240 nan 0.000 0.544 252 L N 3.521 124.764 121.223 0.034 0.000 2.581 252 L HA 0.305 4.651 4.340 0.010 0.000 0.241 252 L C -1.584 175.370 176.870 0.141 0.000 1.265 252 L CA -1.950 52.957 54.840 0.112 0.000 0.954 252 L CB 1.261 43.327 42.059 0.012 0.000 1.269 252 L HN 0.529 nan 8.230 nan 0.000 0.475 253 P HA -0.157 nan 4.420 nan 0.000 0.226 253 P C 1.058 178.462 177.300 0.173 0.000 1.153 253 P CA 1.139 64.316 63.100 0.128 0.000 0.777 253 P CB -0.064 31.681 31.700 0.075 0.000 0.794 254 H N -0.672 118.395 119.070 -0.005 0.000 2.555 254 H HA 0.156 4.718 4.556 0.011 0.000 0.269 254 H C 0.607 175.949 175.328 0.024 0.000 0.988 254 H CA -0.215 55.835 56.048 0.003 0.000 1.178 254 H CB -1.080 28.669 29.762 -0.022 0.000 1.373 254 H HN 0.159 nan 8.280 nan 0.000 0.588 255 I N 3.327 123.763 120.570 -0.225 0.000 2.313 255 I HA 0.191 4.367 4.170 0.010 0.000 0.286 255 I C 1.167 177.376 176.117 0.152 0.000 1.091 255 I CA -0.249 60.976 61.300 -0.125 0.000 1.216 255 I CB 0.582 38.441 38.000 -0.236 0.000 1.434 255 I HN 0.219 nan 8.210 nan 0.000 0.487 256 R N 2.973 123.544 120.500 0.119 0.000 2.419 256 R HA 0.319 4.665 4.340 0.010 0.000 0.235 256 R C 0.479 176.658 176.300 -0.202 0.000 0.899 256 R CA -0.124 56.057 56.100 0.136 0.000 1.048 256 R CB 0.561 30.917 30.300 0.093 0.000 1.182 256 R HN 0.484 nan 8.270 nan 0.000 0.544 257 S N -0.066 115.316 115.700 -0.531 0.000 2.656 257 S HA 0.591 5.066 4.470 0.010 0.000 0.273 257 S C -1.232 172.705 174.600 -1.105 0.000 1.168 257 S CA -0.882 56.470 58.200 -1.413 0.000 0.817 257 S CB 1.938 64.754 63.200 -0.640 0.000 1.146 257 S HN 0.225 nan 8.310 nan 0.000 0.475 258 I N 0.642 120.418 120.570 -1.322 0.000 2.769 258 I HA 0.690 4.866 4.170 0.010 0.000 0.298 258 I C -1.483 174.384 176.117 -0.417 0.000 1.128 258 I CA -0.208 60.672 61.300 -0.700 0.000 1.031 258 I CB 2.328 39.866 38.000 -0.769 0.000 1.235 258 I HN 0.849 nan 8.210 nan 0.000 0.423 259 T N 7.107 121.519 114.554 -0.237 0.000 2.886 259 T HA 0.400 4.756 4.350 0.010 0.000 0.292 259 T C -0.611 174.041 174.700 -0.080 0.000 1.012 259 T CA -0.431 61.605 62.100 -0.106 0.000 0.982 259 T CB 1.592 70.428 68.868 -0.053 0.000 1.018 259 T HN 0.601 nan 8.240 nan 0.000 0.451 260 M N 2.452 122.028 119.600 -0.040 0.000 2.235 260 M HA 0.328 4.814 4.480 0.010 0.000 0.351 260 M C -0.265 176.032 176.300 -0.004 0.000 1.178 260 M CA -0.070 55.218 55.300 -0.019 0.000 1.143 260 M CB 0.614 33.212 32.600 -0.002 0.000 1.530 260 M HN 0.507 nan 8.290 nan 0.000 0.461 261 E N 4.570 124.777 120.200 0.011 0.000 2.042 261 E HA 0.239 4.595 4.350 0.010 0.000 0.260 261 E C -0.964 175.646 176.600 0.016 0.000 0.975 261 E CA -0.283 56.127 56.400 0.016 0.000 0.799 261 E CB 0.713 30.434 29.700 0.035 0.000 1.131 261 E HN 0.595 nan 8.360 nan 0.000 0.423 262 R N 1.534 122.035 120.500 0.001 0.000 2.539 262 R HA 0.069 4.415 4.340 0.010 0.000 0.275 262 R C 0.896 177.188 176.300 -0.014 0.000 1.077 262 R CA -0.055 56.044 56.100 -0.002 0.000 1.097 262 R CB 0.685 30.979 30.300 -0.011 0.000 1.018 262 R HN 0.526 nan 8.270 nan 0.000 0.483 263 E N 1.383 121.575 120.200 -0.013 0.000 2.204 263 E HA -0.256 4.100 4.350 0.010 0.000 0.194 263 E C 1.579 178.149 176.600 -0.051 0.000 0.989 263 E CA 1.111 57.495 56.400 -0.027 0.000 0.824 263 E CB 0.075 29.766 29.700 -0.015 0.000 0.756 263 E HN 0.606 nan 8.360 nan 0.000 0.477 264 Q N 0.872 120.640 119.800 -0.053 0.000 2.378 264 Q HA -0.110 4.235 4.340 0.010 0.000 0.205 264 Q C 0.734 176.678 176.000 -0.092 0.000 0.954 264 Q CA 0.984 56.740 55.803 -0.079 0.000 0.901 264 Q CB 0.164 28.858 28.738 -0.073 0.000 0.981 264 Q HN 0.078 nan 8.270 nan 0.000 0.483 265 D N 1.323 121.679 120.400 -0.074 0.000 2.317 265 D HA 0.002 4.647 4.640 0.010 0.000 0.211 265 D C 0.359 176.604 176.300 -0.091 0.000 0.966 265 D CA 0.966 54.919 54.000 -0.077 0.000 0.876 265 D CB 0.433 41.200 40.800 -0.056 0.000 0.927 265 D HN 0.396 nan 8.370 nan 0.000 0.519 266 S N -1.090 114.554 115.700 -0.094 0.000 2.638 266 S HA 0.496 4.972 4.470 0.010 0.000 0.274 266 S C -0.550 173.972 174.600 -0.130 0.000 1.157 266 S CA -0.973 57.165 58.200 -0.102 0.000 0.826 266 S CB 1.402 64.564 63.200 -0.064 0.000 1.139 266 S HN -0.044 nan 8.310 nan 0.000 0.474 267 I N 1.649 122.133 120.570 -0.145 0.000 2.421 267 I HA 0.209 4.385 4.170 0.010 0.000 0.291 267 I C -0.330 175.709 176.117 -0.130 0.000 1.089 267 I CA -0.305 60.893 61.300 -0.170 0.000 1.354 267 I CB 0.124 38.011 38.000 -0.188 0.000 1.413 267 I HN 0.505 nan 8.210 nan 0.000 0.513 268 I N 7.777 128.257 120.570 -0.150 0.000 2.517 268 I HA 0.106 4.282 4.170 0.010 0.000 0.285 268 I C 0.141 176.132 176.117 -0.210 0.000 1.106 268 I CA 0.517 61.724 61.300 -0.156 0.000 1.402 268 I CB 0.318 38.219 38.000 -0.164 0.000 1.399 268 I HN 0.475 nan 8.210 nan 0.000 0.535 269 M N 6.175 125.683 119.600 -0.152 0.000 2.181 269 M HA 0.248 4.733 4.480 0.010 0.000 0.323 269 M C -0.539 175.679 176.300 -0.136 0.000 1.004 269 M CA -1.053 54.154 55.300 -0.155 0.000 0.941 269 M CB 1.681 34.237 32.600 -0.072 0.000 1.579 269 M HN 0.513 nan 8.290 nan 0.000 0.427 270 D N 2.397 122.693 120.400 -0.174 0.000 2.393 270 D HA 0.249 4.895 4.640 0.010 0.000 0.246 270 D C 1.024 177.296 176.300 -0.047 0.000 1.275 270 D CA -0.284 53.654 54.000 -0.103 0.000 0.979 270 D CB 0.487 41.245 40.800 -0.069 0.000 1.101 270 D HN 0.595 nan 8.370 nan 0.000 0.505 271 A N 0.318 123.120 122.820 -0.030 0.000 1.873 271 A HA -0.055 4.270 4.320 0.010 0.000 0.218 271 A C 2.238 179.826 177.584 0.007 0.000 1.193 271 A CA 3.013 55.041 52.037 -0.015 0.000 0.629 271 A CB -1.513 17.476 19.000 -0.018 0.000 0.826 271 A HN 0.764 nan 8.150 nan 0.000 0.447 272 A N -1.397 121.434 122.820 0.017 0.000 2.019 272 A HA -0.046 4.279 4.320 0.010 0.000 0.219 272 A C 2.251 179.852 177.584 0.030 0.000 1.164 272 A CA 2.237 54.291 52.037 0.030 0.000 0.644 272 A CB -1.090 17.935 19.000 0.041 0.000 0.805 272 A HN 0.473 nan 8.150 nan 0.000 0.449 273 T N -0.256 114.309 114.554 0.017 0.000 2.770 273 T HA -0.104 4.252 4.350 0.010 0.000 0.263 273 T C 2.037 176.750 174.700 0.021 0.000 1.039 273 T CA 1.384 63.492 62.100 0.012 0.000 1.142 273 T CB -0.224 68.633 68.868 -0.019 0.000 0.868 273 T HN 0.553 nan 8.240 nan 0.000 0.435 274 R N 0.672 121.191 120.500 0.032 0.000 2.105 274 R HA 0.008 4.354 4.340 0.010 0.000 0.239 274 R C 2.639 178.982 176.300 0.070 0.000 1.135 274 R CA 0.944 57.086 56.100 0.071 0.000 0.967 274 R CB -0.135 30.242 30.300 0.128 0.000 0.861 274 R HN 0.112 nan 8.270 nan 0.000 0.442 275 R N 0.469 121.002 120.500 0.055 0.000 2.093 275 R HA -0.020 4.326 4.340 0.010 0.000 0.224 275 R C 1.763 178.092 176.300 0.048 0.000 1.101 275 R CA 1.115 57.246 56.100 0.052 0.000 0.979 275 R CB -0.893 29.432 30.300 0.041 0.000 0.877 275 R HN 0.202 nan 8.270 nan 0.000 0.441 276 N N 0.619 119.347 118.700 0.045 0.000 2.331 276 N HA -0.032 4.713 4.740 0.010 0.000 0.180 276 N C 1.354 176.899 175.510 0.059 0.000 1.019 276 N CA 0.734 53.814 53.050 0.050 0.000 0.881 276 N CB 0.029 38.546 38.487 0.050 0.000 0.972 276 N HN 0.142 nan 8.380 nan 0.000 0.435 277 L N 0.290 121.541 121.223 0.046 0.000 2.591 277 L HA 0.163 4.509 4.340 0.010 0.000 0.228 277 L C -0.190 176.707 176.870 0.044 0.000 1.133 277 L CA 0.181 55.046 54.840 0.042 0.000 0.880 277 L CB -0.426 41.633 42.059 0.001 0.000 1.033 277 L HN 0.197 nan 8.230 nan 0.000 0.450 278 E N 0.395 120.624 120.200 0.048 0.000 2.222 278 E HA -0.256 4.100 4.350 0.010 0.000 0.189 278 E C 1.002 177.617 176.600 0.024 0.000 1.415 278 E CA -0.015 56.414 56.400 0.048 0.000 0.689 278 E CB -1.056 28.681 29.700 0.060 0.000 1.107 278 E HN 0.532 nan 8.360 nan 0.000 0.350 279 I N -0.349 120.218 120.570 -0.006 0.000 2.162 279 I HA -0.181 3.995 4.170 0.010 0.000 0.238 279 I C 2.390 178.475 176.117 -0.054 0.000 1.076 279 I CA 2.014 63.258 61.300 -0.094 0.000 1.353 279 I CB -0.228 37.594 38.000 -0.296 0.000 1.063 279 I HN 0.387 nan 8.210 nan 0.000 0.408 280 T N -3.611 110.968 114.554 0.042 0.000 3.004 280 T HA 0.168 4.523 4.350 0.010 0.000 0.266 280 T C 0.406 175.161 174.700 0.092 0.000 0.986 280 T CA -0.350 61.810 62.100 0.100 0.000 0.902 280 T CB 0.433 69.440 68.868 0.231 0.000 1.118 280 T HN 0.213 nan 8.240 nan 0.000 0.522 281 Q N 1.847 121.700 119.800 0.088 0.000 2.347 281 Q HA 0.500 4.846 4.340 0.010 0.000 0.271 281 Q C -1.250 174.782 176.000 0.053 0.000 1.064 281 Q CA -0.878 54.964 55.803 0.065 0.000 0.800 281 Q CB 1.791 30.569 28.738 0.066 0.000 1.304 281 Q HN 0.428 nan 8.270 nan 0.000 0.438 282 N N 2.187 120.912 118.700 0.041 0.000 2.405 282 N HA 0.135 4.881 4.740 0.010 0.000 0.269 282 N C 0.499 176.030 175.510 0.034 0.000 1.249 282 N CA -0.440 52.632 53.050 0.037 0.000 0.974 282 N CB 0.439 38.944 38.487 0.031 0.000 1.204 282 N HN 0.714 nan 8.380 nan 0.000 0.565 283 L N -1.696 119.546 121.223 0.031 0.000 2.622 283 L HA 0.061 4.407 4.340 0.010 0.000 0.233 283 L C 1.310 178.194 176.870 0.024 0.000 1.156 283 L CA 0.759 55.616 54.840 0.029 0.000 0.866 283 L CB -0.476 41.600 42.059 0.028 0.000 0.980 283 L HN 0.814 nan 8.230 nan 0.000 0.448 284 A N -1.273 121.560 122.820 0.022 0.000 2.470 284 A HA 0.470 4.795 4.320 0.010 0.000 0.251 284 A C 1.505 179.100 177.584 0.018 0.000 1.245 284 A CA 0.484 52.531 52.037 0.018 0.000 0.932 284 A CB 0.240 19.249 19.000 0.015 0.000 1.037 284 A HN 0.399 nan 8.150 nan 0.000 0.522 285 G N -1.410 107.402 108.800 0.021 0.000 2.176 285 G HA2 -0.041 3.925 3.960 0.010 0.000 0.253 285 G HA3 -0.041 3.925 3.960 0.010 0.000 0.253 285 G C 0.740 175.652 174.900 0.020 0.000 0.979 285 G CA 0.280 45.392 45.100 0.020 0.000 0.641 285 G HN 1.361 nan 8.290 nan 0.000 0.530 286 G N -1.282 107.531 108.800 0.021 0.000 2.535 286 G HA2 0.718 4.684 3.960 0.010 0.000 0.303 286 G HA3 0.718 4.684 3.960 0.010 0.000 0.303 286 G C 0.934 175.849 174.900 0.025 0.000 1.237 286 G CA 0.469 45.581 45.100 0.020 0.000 0.986 286 G HN 1.277 nan 8.290 nan 0.000 0.494 287 A N -0.917 121.917 122.820 0.023 0.000 2.343 287 A HA 0.287 4.612 4.320 0.010 0.000 0.223 287 A C 1.076 178.674 177.584 0.024 0.000 1.214 287 A CA 0.166 52.219 52.037 0.026 0.000 0.900 287 A CB -0.161 18.853 19.000 0.024 0.000 0.942 287 A HN 0.641 nan 8.150 nan 0.000 0.507 288 E N 0.861 121.073 120.200 0.020 0.000 2.383 288 E HA 0.054 4.410 4.350 0.010 0.000 0.264 288 E C -0.841 175.773 176.600 0.023 0.000 1.050 288 E CA -0.469 55.943 56.400 0.019 0.000 0.896 288 E CB 0.081 29.790 29.700 0.015 0.000 0.982 288 E HN 0.157 nan 8.360 nan 0.000 0.424 289 N N 0.152 118.867 118.700 0.025 0.000 2.735 289 N HA -0.158 4.588 4.740 0.010 0.000 0.248 289 N C -0.507 175.028 175.510 0.042 0.000 1.083 289 N CA 1.497 54.566 53.050 0.031 0.000 0.703 289 N CB -1.989 36.513 38.487 0.024 0.000 1.005 289 N HN 0.823 nan 8.380 nan 0.000 0.550 290 T N -3.833 110.745 114.554 0.039 0.000 2.922 290 T HA 0.569 4.925 4.350 0.010 0.000 0.281 290 T C 1.414 176.136 174.700 0.036 0.000 1.005 290 T CA -0.881 61.244 62.100 0.040 0.000 0.982 290 T CB 1.480 70.368 68.868 0.033 0.000 1.158 290 T HN -0.020 nan 8.240 nan 0.000 0.566 291 L N 0.903 122.137 121.223 0.019 0.000 2.093 291 L HA 0.188 4.533 4.340 0.010 0.000 0.208 291 L C 2.673 179.548 176.870 0.009 0.000 1.085 291 L CA 2.202 57.044 54.840 0.003 0.000 0.755 291 L CB -1.367 40.670 42.059 -0.036 0.000 0.904 291 L HN 0.907 nan 8.230 nan 0.000 0.435 292 A N -0.947 121.876 122.820 0.005 0.000 1.930 292 A HA -0.179 4.146 4.320 0.010 0.000 0.217 292 A C 2.461 180.054 177.584 0.015 0.000 1.175 292 A CA 1.643 53.686 52.037 0.009 0.000 0.627 292 A CB -1.051 17.957 19.000 0.014 0.000 0.815 292 A HN 0.637 nan 8.150 nan 0.000 0.443 293 S N -0.734 114.977 115.700 0.020 0.000 2.442 293 S HA -0.065 4.411 4.470 0.010 0.000 0.236 293 S C 1.582 176.193 174.600 0.019 0.000 1.007 293 S CA 1.431 59.642 58.200 0.018 0.000 0.965 293 S CB -0.394 62.818 63.200 0.021 0.000 0.773 293 S HN 0.222 nan 8.310 nan 0.000 0.504 294 V N 0.924 120.854 119.914 0.027 0.000 2.492 294 V HA 0.208 4.333 4.120 0.010 0.000 0.241 294 V C 2.375 178.490 176.094 0.034 0.000 1.041 294 V CA 0.954 63.274 62.300 0.032 0.000 1.057 294 V CB -0.401 31.454 31.823 0.052 0.000 0.711 294 V HN 0.425 nan 8.190 nan 0.000 0.468 295 L N -0.238 121.011 121.223 0.044 0.000 2.162 295 L HA 0.064 4.410 4.340 0.010 0.000 0.205 295 L C 1.021 177.901 176.870 0.017 0.000 1.086 295 L CA 0.742 55.613 54.840 0.051 0.000 0.778 295 L CB -0.147 41.952 42.059 0.068 0.000 0.928 295 L HN 0.313 nan 8.230 nan 0.000 0.446 296 D N -0.246 120.157 120.400 0.005 0.000 2.470 296 D HA 0.049 4.695 4.640 0.010 0.000 0.226 296 D C -0.168 176.123 176.300 -0.015 0.000 1.196 296 D CA -0.033 53.959 54.000 -0.013 0.000 0.979 296 D CB 0.239 41.031 40.800 -0.015 0.000 1.059 296 D HN 0.077 nan 8.370 nan 0.000 0.515 297 C N 3.382 122.670 119.300 -0.019 0.000 2.469 297 C HA 0.215 4.681 4.460 0.010 0.000 0.298 297 C C 1.002 175.976 174.990 -0.027 0.000 1.436 297 C CA -0.488 58.518 59.018 -0.019 0.000 1.783 297 C CB -1.689 26.041 27.740 -0.017 0.000 2.726 297 C HN 0.635 nan 8.230 nan 0.000 0.541 298 T N -1.296 113.235 114.554 -0.038 0.000 2.748 298 T HA 0.287 4.643 4.350 0.010 0.000 0.304 298 T C 1.066 175.746 174.700 -0.034 0.000 1.041 298 T CA 0.371 62.443 62.100 -0.047 0.000 1.033 298 T CB 1.081 69.907 68.868 -0.070 0.000 0.995 298 T HN 0.504 nan 8.240 nan 0.000 0.536 299 V N -2.443 117.452 119.914 -0.032 0.000 3.604 299 V HA 0.337 4.463 4.120 0.010 0.000 0.277 299 V C 0.834 176.917 176.094 -0.018 0.000 1.399 299 V CA 0.372 62.660 62.300 -0.020 0.000 1.034 299 V CB -0.648 31.167 31.823 -0.013 0.000 0.824 299 V HN 1.201 nan 8.190 nan 0.000 0.439 300 T N -2.876 111.662 114.554 -0.027 0.000 2.888 300 T HA 0.629 4.985 4.350 0.010 0.000 0.284 300 T C -1.975 172.707 174.700 -0.030 0.000 1.017 300 T CA -1.746 60.340 62.100 -0.024 0.000 1.022 300 T CB 2.024 70.879 68.868 -0.022 0.000 1.013 300 T HN -0.011 nan 8.240 nan 0.000 0.465 301 P HA -0.112 nan 4.420 nan 0.000 0.216 301 P C 1.979 179.261 177.300 -0.030 0.000 1.153 301 P CA 1.373 64.458 63.100 -0.024 0.000 0.848 301 P CB -0.171 31.518 31.700 -0.019 0.000 0.787 302 M N -2.505 117.077 119.600 -0.030 0.000 2.213 302 M HA 0.024 4.510 4.480 0.010 0.000 0.263 302 M C 2.024 178.288 176.300 -0.059 0.000 1.062 302 M CA 2.391 57.672 55.300 -0.033 0.000 1.105 302 M CB -1.657 30.930 32.600 -0.022 0.000 1.385 302 M HN -0.184 nan 8.290 nan 0.000 0.417 303 G N 0.308 109.064 108.800 -0.072 0.000 2.394 303 G HA2 -0.179 3.787 3.960 0.010 0.000 0.215 303 G HA3 -0.179 3.787 3.960 0.010 0.000 0.215 303 G C 1.543 176.362 174.900 -0.136 0.000 1.165 303 G CA 0.907 45.934 45.100 -0.121 0.000 0.784 303 G HN 0.533 nan 8.290 nan 0.000 0.535 304 S N 0.381 116.029 115.700 -0.087 0.000 2.374 304 S HA -0.162 4.314 4.470 0.010 0.000 0.227 304 S C 2.503 177.064 174.600 -0.065 0.000 1.037 304 S CA 1.686 59.845 58.200 -0.069 0.000 1.024 304 S CB -0.215 62.962 63.200 -0.039 0.000 0.861 304 S HN 0.477 nan 8.310 nan 0.000 0.456 305 R N 0.032 120.500 120.500 -0.053 0.000 2.090 305 R HA 0.057 4.403 4.340 0.010 0.000 0.228 305 R C 2.586 178.858 176.300 -0.046 0.000 1.110 305 R CA 1.454 57.537 56.100 -0.028 0.000 0.973 305 R CB -0.405 29.888 30.300 -0.011 0.000 0.869 305 R HN 0.511 nan 8.270 nan 0.000 0.440 306 M N 0.905 120.435 119.600 -0.116 0.000 2.117 306 M HA -0.157 4.329 4.480 0.010 0.000 0.262 306 M C 2.072 178.139 176.300 -0.387 0.000 1.065 306 M CA 1.458 56.629 55.300 -0.214 0.000 1.114 306 M CB -0.061 32.356 32.600 -0.305 0.000 1.361 306 M HN 0.154 nan 8.290 nan 0.000 0.408 307 L N 0.848 121.846 121.223 -0.374 0.000 2.012 307 L HA -0.208 4.138 4.340 0.010 0.000 0.210 307 L C 2.037 178.875 176.870 -0.055 0.000 1.073 307 L CA 2.032 56.687 54.840 -0.307 0.000 0.748 307 L CB -0.724 41.215 42.059 -0.199 0.000 0.891 307 L HN 0.266 nan 8.230 nan 0.000 0.431 308 K N -0.940 119.457 120.400 -0.005 0.000 2.097 308 K HA -0.142 4.183 4.320 0.010 0.000 0.206 308 K C 2.174 178.894 176.600 0.200 0.000 1.049 308 K CA 1.472 57.817 56.287 0.096 0.000 0.933 308 K CB -0.212 32.349 32.500 0.102 0.000 0.717 308 K HN 0.336 nan 8.250 nan 0.000 0.442 309 R N -0.223 120.385 120.500 0.179 0.000 2.081 309 R HA -0.134 4.212 4.340 0.010 0.000 0.235 309 R C 2.071 178.592 176.300 0.369 0.000 1.131 309 R CA 1.422 57.676 56.100 0.257 0.000 0.960 309 R CB -0.209 30.227 30.300 0.228 0.000 0.856 309 R HN 0.280 nan 8.270 nan 0.000 0.436 310 W N 1.166 122.505 121.300 0.066 0.000 2.335 310 W HA -0.099 4.567 4.660 0.011 0.000 0.311 310 W C 2.011 178.554 176.519 0.040 0.000 1.213 310 W CA 0.738 58.113 57.345 0.051 0.000 1.274 310 W CB -0.929 28.556 29.460 0.042 0.000 1.148 310 W HN 0.047 nan 8.180 nan 0.000 0.498 311 L N -1.088 120.290 121.223 0.259 0.000 2.131 311 L HA -0.220 4.126 4.340 0.010 0.000 0.210 311 L C 2.337 179.192 176.870 -0.025 0.000 1.092 311 L CA 1.135 56.020 54.840 0.075 0.000 0.759 311 L CB -0.821 41.223 42.059 -0.025 0.000 0.903 311 L HN 0.096 nan 8.230 nan 0.000 0.435 312 H N -1.517 117.614 119.070 0.101 0.000 2.551 312 H HA 0.146 4.708 4.556 0.009 0.000 0.266 312 H C 0.393 175.751 175.328 0.049 0.000 0.964 312 H CA 0.481 56.566 56.048 0.062 0.000 1.180 312 H CB 0.722 30.519 29.762 0.058 0.000 1.408 312 H HN 0.197 nan 8.280 nan 0.000 0.563 313 M N 1.170 120.867 119.600 0.162 0.000 2.400 313 M HA 0.302 4.788 4.480 0.010 0.000 0.241 313 M C -2.810 173.510 176.300 0.034 0.000 1.158 313 M CA -1.693 53.660 55.300 0.089 0.000 0.613 313 M CB 1.478 34.135 32.600 0.095 0.000 1.615 313 M HN -0.283 nan 8.290 nan 0.000 0.371 314 P HA 0.111 nan 4.420 nan 0.000 0.267 314 P C -0.678 176.602 177.300 -0.034 0.000 1.205 314 P CA -0.253 62.857 63.100 0.016 0.000 0.765 314 P CB 0.416 32.145 31.700 0.049 0.000 0.828 315 V N 1.875 121.754 119.914 -0.059 0.000 2.644 315 V HA 0.426 4.552 4.120 0.010 0.000 0.295 315 V C 0.873 176.949 176.094 -0.030 0.000 1.053 315 V CA -0.388 61.858 62.300 -0.089 0.000 0.987 315 V CB 1.614 33.338 31.823 -0.165 0.000 1.006 315 V HN 0.407 nan 8.190 nan 0.000 0.472 316 R N 0.573 121.022 120.500 -0.084 0.000 2.432 316 R HA 0.232 4.578 4.340 0.010 0.000 0.260 316 R C 0.021 176.259 176.300 -0.104 0.000 0.935 316 R CA -0.252 55.792 56.100 -0.093 0.000 1.080 316 R CB 0.160 30.349 30.300 -0.185 0.000 1.155 316 R HN 0.858 nan 8.270 nan 0.000 0.531 317 D N 1.333 121.666 120.400 -0.112 0.000 2.359 317 D HA 0.011 4.657 4.640 0.010 0.000 0.250 317 D C 0.579 176.790 176.300 -0.148 0.000 1.264 317 D CA 0.369 54.299 54.000 -0.117 0.000 0.911 317 D CB 1.187 41.925 40.800 -0.104 0.000 1.056 317 D HN -0.040 nan 8.370 nan 0.000 0.499 318 T N 3.781 118.235 114.554 -0.166 0.000 2.699 318 T HA -0.243 4.113 4.350 0.010 0.000 0.268 318 T C 1.821 176.455 174.700 -0.109 0.000 1.036 318 T CA 1.282 63.256 62.100 -0.210 0.000 1.147 318 T CB 0.009 68.791 68.868 -0.144 0.000 0.862 318 T HN 0.483 nan 8.240 nan 0.000 0.446 319 R N 0.517 120.976 120.500 -0.068 0.000 2.073 319 R HA -0.088 4.258 4.340 0.010 0.000 0.234 319 R C 2.354 178.633 176.300 -0.034 0.000 1.134 319 R CA 1.334 57.414 56.100 -0.033 0.000 0.952 319 R CB -0.559 29.723 30.300 -0.030 0.000 0.850 319 R HN 0.253 nan 8.270 nan 0.000 0.433 320 V N 1.615 121.491 119.914 -0.064 0.000 2.287 320 V HA -0.277 3.848 4.120 0.010 0.000 0.248 320 V C 2.442 178.496 176.094 -0.067 0.000 1.053 320 V CA 1.891 64.145 62.300 -0.077 0.000 1.027 320 V CB -0.430 31.319 31.823 -0.124 0.000 0.646 320 V HN 0.338 nan 8.190 nan 0.000 0.447 321 L N -0.900 120.275 121.223 -0.080 0.000 2.017 321 L HA -0.194 4.151 4.340 0.010 0.000 0.208 321 L C 2.439 179.365 176.870 0.093 0.000 1.073 321 L CA 1.534 56.361 54.840 -0.023 0.000 0.745 321 L CB -0.614 41.370 42.059 -0.126 0.000 0.894 321 L HN 0.281 nan 8.230 nan 0.000 0.432 322 L N -0.461 120.821 121.223 0.099 0.000 2.012 322 L HA -0.239 4.107 4.340 0.010 0.000 0.210 322 L C 2.660 179.581 176.870 0.085 0.000 1.073 322 L CA 1.430 56.344 54.840 0.124 0.000 0.748 322 L CB -0.590 41.527 42.059 0.097 0.000 0.891 322 L HN 0.328 nan 8.230 nan 0.000 0.431 323 E N -0.110 120.121 120.200 0.051 0.000 2.077 323 E HA -0.227 4.129 4.350 0.010 0.000 0.193 323 E C 2.340 178.979 176.600 0.065 0.000 0.989 323 E CA 1.091 57.518 56.400 0.045 0.000 0.800 323 E CB -0.071 29.643 29.700 0.023 0.000 0.746 323 E HN 0.487 nan 8.360 nan 0.000 0.452 324 R N 0.727 121.269 120.500 0.071 0.000 2.075 324 R HA -0.108 4.238 4.340 0.010 0.000 0.232 324 R C 2.452 178.838 176.300 0.143 0.000 1.126 324 R CA 1.062 57.228 56.100 0.111 0.000 0.963 324 R CB -0.191 30.172 30.300 0.105 0.000 0.858 324 R HN 0.220 nan 8.270 nan 0.000 0.435 325 Q N 0.695 120.596 119.800 0.168 0.000 2.096 325 Q HA -0.242 4.104 4.340 0.010 0.000 0.204 325 Q C 2.170 178.300 176.000 0.217 0.000 0.982 325 Q CA 1.696 57.649 55.803 0.250 0.000 0.850 325 Q CB -0.052 28.804 28.738 0.198 0.000 0.901 325 Q HN 0.469 nan 8.270 nan 0.000 0.422 326 Q N -0.483 119.397 119.800 0.134 0.000 2.084 326 Q HA -0.124 4.222 4.340 0.010 0.000 0.202 326 Q C 2.152 178.194 176.000 0.071 0.000 0.978 326 Q CA 1.648 57.510 55.803 0.098 0.000 0.844 326 Q CB -0.106 28.670 28.738 0.063 0.000 0.898 326 Q HN 0.309 nan 8.270 nan 0.000 0.426 327 T N 1.293 115.883 114.554 0.060 0.000 2.720 327 T HA -0.138 4.217 4.350 0.010 0.000 0.268 327 T C 1.843 176.548 174.700 0.010 0.000 1.037 327 T CA 1.077 63.194 62.100 0.029 0.000 1.144 327 T CB -0.194 68.702 68.868 0.047 0.000 0.864 327 T HN 0.190 nan 8.240 nan 0.000 0.444 328 I N 0.899 121.477 120.570 0.014 0.000 2.252 328 I HA -0.087 4.089 4.170 0.010 0.000 0.245 328 I C 2.836 178.884 176.117 -0.115 0.000 1.102 328 I CA 1.198 62.444 61.300 -0.091 0.000 1.385 328 I CB -0.633 37.238 38.000 -0.215 0.000 1.064 328 I HN 0.303 nan 8.210 nan 0.000 0.414 329 G N 0.435 109.234 108.800 -0.002 0.000 2.446 329 G HA2 -0.271 3.695 3.960 0.010 0.000 0.217 329 G HA3 -0.271 3.695 3.960 0.010 0.000 0.217 329 G C 1.824 176.756 174.900 0.053 0.000 1.168 329 G CA 0.841 45.986 45.100 0.076 0.000 0.771 329 G HN 0.493 nan 8.290 nan 0.000 0.551 330 A N 0.102 122.941 122.820 0.032 0.000 2.015 330 A HA 0.228 4.554 4.320 0.010 0.000 0.219 330 A C 2.273 179.854 177.584 -0.005 0.000 1.163 330 A CA 0.947 52.989 52.037 0.008 0.000 0.646 330 A CB -0.219 18.754 19.000 -0.044 0.000 0.806 330 A HN 0.362 nan 8.150 nan 0.000 0.448 331 L N -1.204 120.010 121.223 -0.014 0.000 2.567 331 L HA 0.022 4.368 4.340 0.010 0.000 0.225 331 L C 2.412 179.367 176.870 0.141 0.000 1.119 331 L CA 0.356 55.207 54.840 0.019 0.000 0.871 331 L CB -0.294 41.743 42.059 -0.037 0.000 1.036 331 L HN 0.501 nan 8.230 nan 0.000 0.459 332 Q N 0.605 120.450 119.800 0.074 0.000 2.152 332 Q HA -0.234 4.112 4.340 0.010 0.000 0.206 332 Q C 1.047 177.021 176.000 -0.044 0.000 0.985 332 Q CA 1.705 57.506 55.803 -0.003 0.000 0.863 332 Q CB 0.218 28.941 28.738 -0.024 0.000 0.904 332 Q HN 0.462 nan 8.270 nan 0.000 0.422 333 D N -1.042 119.377 120.400 0.032 0.000 2.340 333 D HA -0.037 4.609 4.640 0.010 0.000 0.220 333 D C 0.475 176.631 176.300 -0.239 0.000 1.039 333 D CA 0.454 54.368 54.000 -0.144 0.000 0.866 333 D CB 0.187 40.879 40.800 -0.181 0.000 0.913 333 D HN 0.263 nan 8.370 nan 0.000 0.523 334 F N 0.475 120.371 119.950 -0.090 0.000 2.731 334 F HA 0.005 4.538 4.527 0.010 0.000 0.298 334 F C 2.487 178.247 175.800 -0.066 0.000 1.106 334 F CA 0.260 58.220 58.000 -0.066 0.000 1.329 334 F CB -0.268 38.704 39.000 -0.047 0.000 1.100 334 F HN -0.105 nan 8.300 nan 0.000 0.592 335 T N -1.703 112.890 114.554 0.065 0.000 2.759 335 T HA -0.219 4.137 4.350 0.010 0.000 0.269 335 T C 2.253 176.952 174.700 -0.002 0.000 1.042 335 T CA 1.211 63.324 62.100 0.021 0.000 1.140 335 T CB -0.657 68.202 68.868 -0.015 0.000 0.864 335 T HN 0.166 nan 8.240 nan 0.000 0.455 336 A N 1.637 124.436 122.820 -0.035 0.000 1.933 336 A HA 0.263 4.589 4.320 0.010 0.000 0.218 336 A C 2.692 180.264 177.584 -0.020 0.000 1.175 336 A CA 1.632 53.646 52.037 -0.038 0.000 0.628 336 A CB -1.442 17.519 19.000 -0.064 0.000 0.814 336 A HN 0.645 nan 8.150 nan 0.000 0.444 337 G N -0.875 107.917 108.800 -0.014 0.000 2.453 337 G HA2 0.090 4.056 3.960 0.010 0.000 0.215 337 G HA3 0.090 4.056 3.960 0.010 0.000 0.215 337 G C 1.484 176.400 174.900 0.027 0.000 1.147 337 G CA 0.654 45.755 45.100 0.002 0.000 0.802 337 G HN 0.402 nan 8.290 nan 0.000 0.535 338 L N -0.187 121.063 121.223 0.046 0.000 2.179 338 L HA 0.022 4.368 4.340 0.010 0.000 0.208 338 L C 3.037 179.919 176.870 0.020 0.000 1.096 338 L CA 0.661 55.527 54.840 0.043 0.000 0.779 338 L CB -0.251 41.842 42.059 0.056 0.000 0.922 338 L HN 0.200 nan 8.230 nan 0.000 0.443 339 Q N -0.066 119.742 119.800 0.013 0.000 2.079 339 Q HA -0.155 4.191 4.340 0.010 0.000 0.200 339 Q C -0.414 175.588 176.000 0.004 0.000 0.974 339 Q CA 1.362 57.167 55.803 0.004 0.000 0.840 339 Q CB -0.917 27.819 28.738 -0.002 0.000 0.898 339 Q HN 0.426 nan 8.270 nan 0.000 0.430 340 P HA -0.116 nan 4.420 nan 0.000 0.218 340 P C 1.365 178.672 177.300 0.011 0.000 1.149 340 P CA 1.046 64.151 63.100 0.008 0.000 0.817 340 P CB 0.066 31.770 31.700 0.007 0.000 0.785 341 V N -0.511 119.407 119.914 0.008 0.000 2.283 341 V HA -0.184 3.942 4.120 0.010 0.000 0.243 341 V C 2.445 178.539 176.094 -0.000 0.000 1.039 341 V CA 1.441 63.741 62.300 0.001 0.000 1.016 341 V CB -1.367 30.458 31.823 0.002 0.000 0.650 341 V HN 0.025 nan 8.190 nan 0.000 0.449 342 L N 0.057 121.283 121.223 0.004 0.000 2.129 342 L HA -0.261 4.084 4.340 0.010 0.000 0.212 342 L C 2.731 179.603 176.870 0.004 0.000 1.087 342 L CA 1.966 56.808 54.840 0.003 0.000 0.757 342 L CB -0.599 41.460 42.059 -0.001 0.000 0.896 342 L HN 0.314 nan 8.230 nan 0.000 0.434 343 R N -0.097 120.408 120.500 0.008 0.000 2.105 343 R HA -0.190 4.155 4.340 0.010 0.000 0.239 343 R C 2.238 178.557 176.300 0.032 0.000 1.135 343 R CA 1.332 57.440 56.100 0.014 0.000 0.967 343 R CB -0.133 30.176 30.300 0.016 0.000 0.861 343 R HN 0.302 nan 8.270 nan 0.000 0.442 344 Q N -0.232 119.592 119.800 0.040 0.000 2.369 344 Q HA -0.018 4.328 4.340 0.010 0.000 0.206 344 Q C 2.024 178.064 176.000 0.067 0.000 0.963 344 Q CA 0.909 56.765 55.803 0.087 0.000 0.894 344 Q CB 0.153 28.912 28.738 0.036 0.000 0.965 344 Q HN 0.287 nan 8.270 nan 0.000 0.475 345 V N -0.063 119.861 119.914 0.017 0.000 2.427 345 V HA -0.095 4.031 4.120 0.010 0.000 0.248 345 V C 1.546 177.649 176.094 0.014 0.000 1.051 345 V CA 1.365 63.669 62.300 0.007 0.000 1.048 345 V CB -1.154 30.672 31.823 0.006 0.000 0.666 345 V HN 0.542 nan 8.190 nan 0.000 0.456 346 G N 0.509 109.319 108.800 0.017 0.000 2.564 346 G HA2 -0.364 3.602 3.960 0.010 0.000 0.273 346 G HA3 -0.364 3.602 3.960 0.010 0.000 0.273 346 G C 0.056 174.949 174.900 -0.011 0.000 1.242 346 G CA 0.392 45.496 45.100 0.005 0.000 0.951 346 G HN 0.450 nan 8.290 nan 0.000 0.564 347 D N 0.782 121.171 120.400 -0.018 0.000 2.943 347 D HA 0.344 4.989 4.640 0.010 0.000 0.249 347 D C 1.876 178.155 176.300 -0.034 0.000 1.231 347 D CA -0.351 53.635 54.000 -0.024 0.000 0.979 347 D CB 0.111 40.897 40.800 -0.023 0.000 1.053 347 D HN 0.394 nan 8.370 nan 0.000 0.504 348 L N 1.424 122.625 121.223 -0.038 0.000 2.081 348 L HA -0.151 4.195 4.340 0.010 0.000 0.212 348 L C 1.951 178.792 176.870 -0.047 0.000 1.080 348 L CA 1.910 56.716 54.840 -0.057 0.000 0.754 348 L CB -0.395 41.636 42.059 -0.046 0.000 0.893 348 L HN 0.359 nan 8.230 nan 0.000 0.433 349 E N -0.567 119.619 120.200 -0.024 0.000 2.038 349 E HA -0.276 4.080 4.350 0.010 0.000 0.195 349 E C 2.308 178.894 176.600 -0.023 0.000 1.000 349 E CA 1.512 57.906 56.400 -0.012 0.000 0.803 349 E CB -0.129 29.573 29.700 0.003 0.000 0.750 349 E HN 0.522 nan 8.360 nan 0.000 0.448 350 R N -0.019 120.464 120.500 -0.028 0.000 2.115 350 R HA -0.003 4.343 4.340 0.010 0.000 0.226 350 R C 2.537 178.801 176.300 -0.060 0.000 1.100 350 R CA 0.973 57.051 56.100 -0.037 0.000 0.980 350 R CB -0.182 30.101 30.300 -0.029 0.000 0.875 350 R HN 0.321 nan 8.270 nan 0.000 0.445 351 I N 0.929 121.461 120.570 -0.063 0.000 2.264 351 I HA -0.300 3.876 4.170 0.010 0.000 0.248 351 I C 2.044 178.100 176.117 -0.100 0.000 1.111 351 I CA 1.350 62.604 61.300 -0.077 0.000 1.382 351 I CB -0.154 37.794 38.000 -0.087 0.000 1.060 351 I HN 0.182 nan 8.210 nan 0.000 0.418 352 L N 0.170 121.334 121.223 -0.098 0.000 2.275 352 L HA -0.145 4.201 4.340 0.010 0.000 0.215 352 L C 2.766 179.534 176.870 -0.169 0.000 1.119 352 L CA 0.842 55.615 54.840 -0.111 0.000 0.790 352 L CB -0.617 41.400 42.059 -0.070 0.000 0.919 352 L HN 0.240 nan 8.230 nan 0.000 0.443 353 A N 0.380 123.097 122.820 -0.173 0.000 1.873 353 A HA -0.184 4.142 4.320 0.010 0.000 0.215 353 A C 2.369 179.749 177.584 -0.340 0.000 1.186 353 A CA 1.264 53.119 52.037 -0.303 0.000 0.616 353 A CB -0.393 18.512 19.000 -0.160 0.000 0.823 353 A HN 0.296 nan 8.150 nan 0.000 0.442 354 R N -1.113 119.258 120.500 -0.215 0.000 2.152 354 R HA -0.073 4.273 4.340 0.010 0.000 0.232 354 R C 2.059 178.184 176.300 -0.291 0.000 1.117 354 R CA 1.202 57.183 56.100 -0.198 0.000 0.981 354 R CB -0.491 29.747 30.300 -0.103 0.000 0.870 354 R HN 0.509 nan 8.270 nan 0.000 0.451 355 L N 0.716 121.770 121.223 -0.283 0.000 1.994 355 L HA -0.107 4.239 4.340 0.010 0.000 0.208 355 L C 2.288 178.892 176.870 -0.443 0.000 1.071 355 L CA 2.026 56.639 54.840 -0.379 0.000 0.745 355 L CB -0.598 41.342 42.059 -0.199 0.000 0.892 355 L HN 0.095 nan 8.230 nan 0.000 0.431 356 A N -0.590 122.019 122.820 -0.352 0.000 1.933 356 A HA -0.145 4.181 4.320 0.010 0.000 0.218 356 A C 2.167 179.563 177.584 -0.313 0.000 1.175 356 A CA 1.919 53.767 52.037 -0.315 0.000 0.628 356 A CB -0.961 17.804 19.000 -0.391 0.000 0.814 356 A HN 0.512 nan 8.150 nan 0.000 0.444 357 L N -1.890 119.114 121.223 -0.363 0.000 2.610 357 L HA 0.054 4.400 4.340 0.010 0.000 0.232 357 L C 0.812 177.529 176.870 -0.255 0.000 1.149 357 L CA 0.201 54.891 54.840 -0.250 0.000 0.872 357 L CB -0.236 41.696 42.059 -0.210 0.000 0.992 357 L HN 0.383 nan 8.230 nan 0.000 0.447 358 R N -0.319 119.910 120.500 -0.452 0.000 3.641 358 R HA -0.181 4.165 4.340 0.010 0.000 0.286 358 R C 0.847 176.998 176.300 -0.248 0.000 1.153 358 R CA 0.853 56.562 56.100 -0.651 0.000 0.775 358 R CB -2.295 27.823 30.300 -0.303 0.000 1.215 358 R HN 0.519 nan 8.270 nan 0.000 0.474 359 T N -3.919 110.527 114.554 -0.180 0.000 3.044 359 T HA 0.467 4.823 4.350 0.010 0.000 0.260 359 T C 0.722 175.482 174.700 0.100 0.000 1.019 359 T CA 0.181 62.290 62.100 0.015 0.000 0.921 359 T CB 0.701 69.555 68.868 -0.022 0.000 1.053 359 T HN 0.416 nan 8.240 nan 0.000 0.533 360 A N 2.067 124.942 122.820 0.091 0.000 2.520 360 A HA 0.512 4.837 4.320 0.010 0.000 0.245 360 A C 0.454 178.270 177.584 0.386 0.000 1.072 360 A CA -0.331 51.820 52.037 0.191 0.000 0.761 360 A CB 0.074 19.169 19.000 0.159 0.000 1.004 360 A HN 0.601 nan 8.150 nan 0.000 0.499 361 R N 2.654 123.295 120.500 0.235 0.000 2.596 361 R HA 0.358 4.703 4.340 0.010 0.000 0.267 361 R C -1.849 174.588 176.300 0.229 0.000 1.026 361 R CA -1.783 54.439 56.100 0.203 0.000 1.087 361 R CB 0.240 30.585 30.300 0.075 0.000 1.132 361 R HN 0.394 nan 8.270 nan 0.000 0.531 362 P HA -0.193 nan 4.420 nan 0.000 0.216 362 P C 0.519 177.871 177.300 0.086 0.000 1.154 362 P CA 1.557 64.748 63.100 0.151 0.000 0.865 362 P CB 0.167 31.858 31.700 -0.015 0.000 0.789 363 R N -0.889 119.632 120.500 0.035 0.000 2.189 363 R HA -0.092 4.254 4.340 0.010 0.000 0.223 363 R C 1.775 178.077 176.300 0.003 0.000 1.092 363 R CA 1.059 57.161 56.100 0.005 0.000 0.989 363 R CB -0.701 29.590 30.300 -0.015 0.000 0.876 363 R HN 0.258 nan 8.270 nan 0.000 0.457 364 D N 1.028 121.445 120.400 0.029 0.000 2.084 364 D HA -0.139 4.506 4.640 0.010 0.000 0.194 364 D C 1.985 178.277 176.300 -0.014 0.000 0.990 364 D CA 1.186 55.193 54.000 0.011 0.000 0.826 364 D CB -0.153 40.673 40.800 0.045 0.000 0.971 364 D HN 0.177 nan 8.370 nan 0.000 0.453 365 L N 0.699 121.935 121.223 0.023 0.000 2.083 365 L HA -0.118 4.227 4.340 0.010 0.000 0.209 365 L C 2.609 179.448 176.870 -0.052 0.000 1.083 365 L CA 1.007 55.831 54.840 -0.026 0.000 0.752 365 L CB -0.565 41.487 42.059 -0.012 0.000 0.899 365 L HN -0.046 nan 8.230 nan 0.000 0.433 366 A N 0.515 123.324 122.820 -0.019 0.000 1.883 366 A HA -0.226 4.099 4.320 0.010 0.000 0.217 366 A C 2.437 179.999 177.584 -0.036 0.000 1.186 366 A CA 1.724 53.747 52.037 -0.024 0.000 0.624 366 A CB -0.522 18.465 19.000 -0.022 0.000 0.822 366 A HN 0.327 nan 8.150 nan 0.000 0.444 367 R N -1.492 118.979 120.500 -0.049 0.000 2.148 367 R HA -0.009 4.337 4.340 0.010 0.000 0.227 367 R C 2.296 178.539 176.300 -0.096 0.000 1.103 367 R CA 1.285 57.361 56.100 -0.041 0.000 0.983 367 R CB -0.323 29.949 30.300 -0.046 0.000 0.874 367 R HN 0.703 nan 8.270 nan 0.000 0.451 368 M N 0.485 119.969 119.600 -0.192 0.000 2.099 368 M HA -0.212 4.274 4.480 0.010 0.000 0.262 368 M C 2.396 178.323 176.300 -0.621 0.000 1.067 368 M CA 1.611 56.649 55.300 -0.436 0.000 1.124 368 M CB -0.099 32.243 32.600 -0.431 0.000 1.353 368 M HN -0.013 nan 8.290 nan 0.000 0.410 369 R N -1.061 119.249 120.500 -0.317 0.000 2.094 369 R HA -0.283 4.063 4.340 0.010 0.000 0.239 369 R C 2.194 178.490 176.300 -0.006 0.000 1.137 369 R CA 2.481 58.514 56.100 -0.111 0.000 0.943 369 R CB -0.663 29.641 30.300 0.008 0.000 0.850 369 R HN 0.520 nan 8.270 nan 0.000 0.433 370 H N -0.206 118.810 119.070 -0.089 0.000 2.387 370 H HA -0.020 4.542 4.556 0.010 0.000 0.299 370 H C 1.687 177.001 175.328 -0.023 0.000 1.099 370 H CA 1.929 57.956 56.048 -0.036 0.000 1.315 370 H CB -0.138 29.599 29.762 -0.043 0.000 1.380 370 H HN 0.415 nan 8.280 nan 0.000 0.513 371 A N -0.108 122.663 122.820 -0.081 0.000 1.898 371 A HA -0.097 4.229 4.320 0.010 0.000 0.216 371 A C 1.975 179.594 177.584 0.059 0.000 1.181 371 A CA 1.227 53.215 52.037 -0.082 0.000 0.620 371 A CB -0.876 18.049 19.000 -0.124 0.000 0.819 371 A HN 0.414 nan 8.150 nan 0.000 0.442 372 F N 0.413 120.358 119.950 -0.007 0.000 2.202 372 F HA -0.164 4.368 4.527 0.009 0.000 0.301 372 F C 2.467 178.270 175.800 0.005 0.000 1.082 372 F CA 1.328 59.348 58.000 0.034 0.000 1.313 372 F CB -0.999 38.028 39.000 0.045 0.000 1.024 372 F HN 0.367 nan 8.300 nan 0.000 0.495 373 Q N -0.648 119.237 119.800 0.141 0.000 2.472 373 Q HA -0.111 4.235 4.340 0.010 0.000 0.208 373 Q C 1.779 177.758 176.000 -0.035 0.000 0.958 373 Q CA 0.475 56.297 55.803 0.032 0.000 0.932 373 Q CB 0.035 28.762 28.738 -0.018 0.000 1.007 373 Q HN 0.360 nan 8.270 nan 0.000 0.508 374 Q N -0.308 119.467 119.800 -0.042 0.000 2.376 374 Q HA 0.066 4.412 4.340 0.010 0.000 0.206 374 Q C 1.950 177.958 176.000 0.013 0.000 0.921 374 Q CA 0.386 56.161 55.803 -0.047 0.000 0.911 374 Q CB 0.257 28.952 28.738 -0.073 0.000 1.032 374 Q HN 0.410 nan 8.270 nan 0.000 0.510 375 L N 1.047 122.306 121.223 0.060 0.000 1.989 375 L HA -0.181 4.165 4.340 0.010 0.000 0.211 375 L C -0.492 176.393 176.870 0.025 0.000 1.071 375 L CA 1.641 56.520 54.840 0.065 0.000 0.749 375 L CB -1.898 40.229 42.059 0.114 0.000 0.890 375 L HN 0.131 nan 8.230 nan 0.000 0.431 376 P HA -0.203 nan 4.420 nan 0.000 0.215 376 P C 1.348 178.650 177.300 0.003 0.000 1.157 376 P CA 1.283 64.383 63.100 -0.000 0.000 0.868 376 P CB 0.080 31.779 31.700 -0.001 0.000 0.788 377 E N 0.034 120.237 120.200 0.005 0.000 2.070 377 E HA -0.192 4.164 4.350 0.010 0.000 0.197 377 E C 1.933 178.541 176.600 0.013 0.000 1.004 377 E CA 1.448 57.852 56.400 0.007 0.000 0.805 377 E CB -1.291 28.410 29.700 0.002 0.000 0.744 377 E HN 0.098 nan 8.360 nan 0.000 0.451 378 L N -0.114 121.117 121.223 0.013 0.000 2.042 378 L HA -0.173 4.172 4.340 0.010 0.000 0.210 378 L C 2.826 179.701 176.870 0.009 0.000 1.076 378 L CA 1.665 56.514 54.840 0.015 0.000 0.749 378 L CB -0.410 41.661 42.059 0.019 0.000 0.893 378 L HN 0.136 nan 8.230 nan 0.000 0.432 379 R N -0.284 120.218 120.500 0.004 0.000 2.091 379 R HA -0.188 4.157 4.340 0.010 0.000 0.238 379 R C 2.390 178.688 176.300 -0.003 0.000 1.136 379 R CA 1.462 57.558 56.100 -0.007 0.000 0.959 379 R CB -0.470 29.820 30.300 -0.017 0.000 0.856 379 R HN 0.393 nan 8.270 nan 0.000 0.437 380 A N 0.836 123.660 122.820 0.006 0.000 1.873 380 A HA -0.197 4.128 4.320 0.010 0.000 0.215 380 A C 2.015 179.620 177.584 0.034 0.000 1.186 380 A CA 1.156 53.202 52.037 0.015 0.000 0.616 380 A CB -0.368 18.641 19.000 0.016 0.000 0.823 380 A HN 0.321 nan 8.150 nan 0.000 0.442 381 Q N -0.660 119.167 119.800 0.046 0.000 2.167 381 Q HA -0.003 4.343 4.340 0.010 0.000 0.202 381 Q C 1.772 177.808 176.000 0.060 0.000 0.970 381 Q CA 1.113 56.973 55.803 0.094 0.000 0.855 381 Q CB -0.195 28.607 28.738 0.107 0.000 0.911 381 Q HN 0.664 nan 8.270 nan 0.000 0.438 382 L N 0.458 121.675 121.223 -0.010 0.000 2.509 382 L HA -0.054 4.291 4.340 0.010 0.000 0.222 382 L C 2.204 179.025 176.870 -0.083 0.000 1.123 382 L CA 0.326 55.114 54.840 -0.087 0.000 0.856 382 L CB -0.271 41.746 42.059 -0.071 0.000 0.985 382 L HN 0.304 nan 8.230 nan 0.000 0.456 383 E N 0.164 120.345 120.200 -0.032 0.000 2.072 383 E HA -0.251 4.104 4.350 0.010 0.000 0.191 383 E C 2.036 178.621 176.600 -0.024 0.000 0.985 383 E CA 1.796 58.180 56.400 -0.025 0.000 0.801 383 E CB -0.502 29.194 29.700 -0.006 0.000 0.750 383 E HN 0.373 nan 8.360 nan 0.000 0.452 384 T N 0.340 114.897 114.554 0.006 0.000 2.788 384 T HA -0.060 4.296 4.350 0.010 0.000 0.268 384 T C 1.050 175.743 174.700 -0.013 0.000 1.044 384 T CA 0.847 62.978 62.100 0.051 0.000 1.139 384 T CB -0.690 68.288 68.868 0.183 0.000 0.867 384 T HN 0.038 nan 8.240 nan 0.000 0.454 385 V N 3.162 122.960 119.914 -0.194 0.000 2.493 385 V HA 0.160 4.285 4.120 0.010 0.000 0.292 385 V C 0.012 176.011 176.094 -0.159 0.000 1.016 385 V CA -0.227 61.864 62.300 -0.350 0.000 1.097 385 V CB 0.261 31.700 31.823 -0.641 0.000 0.947 385 V HN 0.417 nan 8.190 nan 0.000 0.479 386 D N 4.113 124.462 120.400 -0.086 0.000 2.441 386 D HA 0.491 5.136 4.640 0.010 0.000 0.221 386 D C 0.010 176.286 176.300 -0.041 0.000 1.156 386 D CA 0.461 54.436 54.000 -0.041 0.000 0.896 386 D CB 0.780 41.578 40.800 -0.003 0.000 1.028 386 D HN 0.818 nan 8.370 nan 0.000 0.509 387 S N -0.022 115.650 115.700 -0.046 0.000 2.578 387 S HA 0.517 4.993 4.470 0.010 0.000 0.285 387 S C 0.615 175.200 174.600 -0.026 0.000 1.126 387 S CA -0.495 57.688 58.200 -0.028 0.000 0.878 387 S CB 1.102 64.285 63.200 -0.029 0.000 1.091 387 S HN 0.131 nan 8.310 nan 0.000 0.450 388 A N 2.387 125.199 122.820 -0.012 0.000 1.877 388 A HA 0.208 4.533 4.320 0.010 0.000 0.216 388 A C -0.599 176.980 177.584 -0.008 0.000 1.186 388 A CA 1.810 53.841 52.037 -0.009 0.000 0.620 388 A CB -2.034 16.965 19.000 -0.002 0.000 0.822 388 A HN 0.673 nan 8.150 nan 0.000 0.443 389 P HA -0.113 nan 4.420 nan 0.000 0.217 389 P C 1.730 179.030 177.300 -0.001 0.000 1.150 389 P CA 1.203 64.308 63.100 0.007 0.000 0.832 389 P CB -0.156 31.556 31.700 0.020 0.000 0.787 390 V N -0.209 119.693 119.914 -0.021 0.000 2.515 390 V HA -0.232 3.893 4.120 0.010 0.000 0.250 390 V C 2.169 178.239 176.094 -0.040 0.000 1.058 390 V CA 1.918 64.193 62.300 -0.042 0.000 1.064 390 V CB -0.920 30.848 31.823 -0.092 0.000 0.675 390 V HN 0.059 nan 8.190 nan 0.000 0.461 391 Q N -0.017 119.761 119.800 -0.037 0.000 2.172 391 Q HA -0.009 4.337 4.340 0.010 0.000 0.200 391 Q C 2.356 178.345 176.000 -0.017 0.000 0.964 391 Q CA 1.640 57.424 55.803 -0.031 0.000 0.855 391 Q CB -0.751 27.970 28.738 -0.029 0.000 0.918 391 Q HN 0.729 nan 8.270 nan 0.000 0.444 392 A N 1.008 123.823 122.820 -0.008 0.000 1.877 392 A HA -0.152 4.173 4.320 0.010 0.000 0.216 392 A C 2.249 179.839 177.584 0.010 0.000 1.186 392 A CA 1.221 53.260 52.037 0.002 0.000 0.620 392 A CB -0.790 18.216 19.000 0.010 0.000 0.822 392 A HN 0.321 nan 8.150 nan 0.000 0.443 393 L N -1.107 120.124 121.223 0.013 0.000 2.083 393 L HA -0.167 4.179 4.340 0.010 0.000 0.209 393 L C 2.776 179.655 176.870 0.014 0.000 1.083 393 L CA 1.630 56.484 54.840 0.023 0.000 0.752 393 L CB -0.440 41.635 42.059 0.026 0.000 0.899 393 L HN 0.475 nan 8.230 nan 0.000 0.433 394 R N 0.366 120.864 120.500 -0.004 0.000 2.073 394 R HA -0.241 4.105 4.340 0.010 0.000 0.234 394 R C 2.216 178.508 176.300 -0.013 0.000 1.134 394 R CA 1.870 57.963 56.100 -0.012 0.000 0.952 394 R CB -0.056 30.228 30.300 -0.028 0.000 0.850 394 R HN 0.206 nan 8.270 nan 0.000 0.433 395 E N 0.647 120.838 120.200 -0.015 0.000 2.077 395 E HA -0.205 4.151 4.350 0.010 0.000 0.193 395 E C 1.853 178.445 176.600 -0.013 0.000 0.989 395 E CA 1.644 58.030 56.400 -0.023 0.000 0.800 395 E CB 0.007 29.696 29.700 -0.018 0.000 0.746 395 E HN 0.256 nan 8.360 nan 0.000 0.452 396 K N -0.164 120.245 120.400 0.014 0.000 2.097 396 K HA -0.136 4.190 4.320 0.010 0.000 0.205 396 K C 2.230 178.872 176.600 0.070 0.000 1.050 396 K CA 1.378 57.690 56.287 0.042 0.000 0.938 396 K CB -0.209 32.322 32.500 0.052 0.000 0.718 396 K HN 0.233 nan 8.250 nan 0.000 0.442 397 M N 0.397 120.034 119.600 0.061 0.000 2.195 397 M HA -0.121 4.365 4.480 0.010 0.000 0.260 397 M C 0.758 177.124 176.300 0.111 0.000 1.066 397 M CA 1.876 57.233 55.300 0.095 0.000 1.089 397 M CB -0.522 32.115 32.600 0.061 0.000 1.377 397 M HN 0.379 nan 8.290 nan 0.000 0.411 398 G N 0.785 109.577 108.800 -0.015 0.000 2.692 398 G HA2 -0.321 3.644 3.960 0.010 0.000 0.248 398 G HA3 -0.321 3.644 3.960 0.010 0.000 0.248 398 G C -0.578 174.168 174.900 -0.258 0.000 1.340 398 G CA 0.236 45.207 45.100 -0.215 0.000 0.896 398 G HN 0.699 nan 8.290 nan 0.000 0.570 399 E N -1.908 117.922 120.200 -0.617 0.000 2.390 399 E HA 0.645 5.001 4.350 0.010 0.000 0.280 399 E C -1.323 174.766 176.600 -0.852 0.000 0.992 399 E CA -0.855 55.294 56.400 -0.418 0.000 0.790 399 E CB 1.140 30.686 29.700 -0.256 0.000 1.248 399 E HN 0.561 nan 8.360 nan 0.000 0.447 400 F N 1.914 121.636 119.950 -0.379 0.000 2.671 400 F HA 0.337 4.870 4.527 0.009 0.000 0.384 400 F C 1.076 176.580 175.800 -0.493 0.000 1.351 400 F CA 0.147 57.800 58.000 -0.578 0.000 1.151 400 F CB 0.764 39.084 39.000 -1.135 0.000 1.147 400 F HN 0.643 nan 8.300 nan 0.000 0.513 401 A N 0.213 122.920 122.820 -0.188 0.000 1.929 401 A HA -0.335 3.990 4.320 0.010 0.000 0.221 401 A C 2.243 179.777 177.584 -0.083 0.000 1.211 401 A CA 2.710 54.685 52.037 -0.104 0.000 0.657 401 A CB -0.606 18.345 19.000 -0.081 0.000 0.827 401 A HN 0.566 nan 8.150 nan 0.000 0.462 402 E N -0.370 119.770 120.200 -0.101 0.000 2.058 402 E HA -0.187 4.168 4.350 0.010 0.000 0.194 402 E C 1.964 178.533 176.600 -0.052 0.000 0.997 402 E CA 1.476 57.837 56.400 -0.065 0.000 0.801 402 E CB -0.241 29.414 29.700 -0.075 0.000 0.746 402 E HN 0.665 nan 8.360 nan 0.000 0.450 403 L N 0.192 121.343 121.223 -0.120 0.000 2.093 403 L HA -0.112 4.234 4.340 0.010 0.000 0.208 403 L C 2.908 179.838 176.870 0.099 0.000 1.085 403 L CA 1.093 55.902 54.840 -0.051 0.000 0.755 403 L CB -0.589 41.379 42.059 -0.153 0.000 0.904 403 L HN 0.177 nan 8.230 nan 0.000 0.435 404 R N 0.761 121.282 120.500 0.035 0.000 2.096 404 R HA -0.261 4.084 4.340 0.010 0.000 0.240 404 R C 1.945 178.329 176.300 0.139 0.000 1.139 404 R CA 2.468 58.708 56.100 0.233 0.000 0.952 404 R CB -0.280 30.110 30.300 0.150 0.000 0.854 404 R HN 0.320 nan 8.270 nan 0.000 0.436 405 D N -0.051 120.392 120.400 0.072 0.000 2.117 405 D HA -0.183 4.463 4.640 0.010 0.000 0.197 405 D C 1.963 178.313 176.300 0.082 0.000 0.987 405 D CA 0.960 55.000 54.000 0.066 0.000 0.829 405 D CB -0.058 40.768 40.800 0.043 0.000 0.961 405 D HN 0.206 nan 8.370 nan 0.000 0.460 406 L N 0.295 121.571 121.223 0.088 0.000 2.012 406 L HA -0.109 4.237 4.340 0.010 0.000 0.210 406 L C 2.051 178.961 176.870 0.066 0.000 1.073 406 L CA 1.686 56.589 54.840 0.105 0.000 0.748 406 L CB -0.618 41.503 42.059 0.105 0.000 0.891 406 L HN 0.207 nan 8.230 nan 0.000 0.431 407 L N -0.962 120.304 121.223 0.072 0.000 2.291 407 L HA -0.132 4.214 4.340 0.010 0.000 0.214 407 L C 2.403 179.281 176.870 0.014 0.000 1.120 407 L CA 0.954 55.810 54.840 0.027 0.000 0.799 407 L CB -0.531 41.569 42.059 0.068 0.000 0.925 407 L HN 0.396 nan 8.230 nan 0.000 0.446 408 E N 0.054 120.283 120.200 0.049 0.000 2.152 408 E HA -0.130 4.226 4.350 0.010 0.000 0.192 408 E C 2.189 178.807 176.600 0.030 0.000 0.983 408 E CA 0.670 57.096 56.400 0.043 0.000 0.818 408 E CB 0.125 29.862 29.700 0.060 0.000 0.758 408 E HN 0.426 nan 8.360 nan 0.000 0.467 409 R N -0.021 120.507 120.500 0.048 0.000 2.210 409 R HA 0.129 4.475 4.340 0.010 0.000 0.203 409 R C 1.956 178.256 176.300 -0.001 0.000 1.010 409 R CA 0.753 56.908 56.100 0.092 0.000 1.008 409 R CB 0.200 30.613 30.300 0.190 0.000 0.923 409 R HN 0.043 nan 8.270 nan 0.000 0.469 410 A N 0.666 123.351 122.820 -0.226 0.000 1.997 410 A HA 0.237 4.562 4.320 0.010 0.000 0.212 410 A C 0.935 178.270 177.584 -0.416 0.000 1.178 410 A CA 0.415 52.005 52.037 -0.746 0.000 0.698 410 A CB 0.478 19.038 19.000 -0.733 0.000 0.842 410 A HN 0.042 nan 8.150 nan 0.000 0.458 411 I N 1.405 121.862 120.570 -0.188 0.000 2.545 411 I HA 0.319 4.495 4.170 0.010 0.000 0.292 411 I C -0.066 176.023 176.117 -0.046 0.000 1.040 411 I CA -1.064 60.178 61.300 -0.096 0.000 1.068 411 I CB 1.967 39.935 38.000 -0.054 0.000 1.251 411 I HN 0.390 nan 8.210 nan 0.000 0.424 412 I N 0.999 121.551 120.570 -0.030 0.000 3.381 412 I HA 0.094 4.270 4.170 0.010 0.000 0.275 412 I C 0.730 176.841 176.117 -0.011 0.000 1.252 412 I CA -0.081 61.211 61.300 -0.014 0.000 1.292 412 I CB 0.409 38.403 38.000 -0.011 0.000 1.396 412 I HN 0.519 nan 8.210 nan 0.000 0.637 413 D N 1.180 121.576 120.400 -0.006 0.000 2.104 413 D HA -0.103 4.543 4.640 0.010 0.000 0.194 413 D C 0.964 177.254 176.300 -0.017 0.000 0.994 413 D CA 2.210 56.207 54.000 -0.006 0.000 0.830 413 D CB -0.234 40.565 40.800 -0.002 0.000 0.959 413 D HN 0.851 nan 8.370 nan 0.000 0.452 414 T N -0.721 113.821 114.554 -0.019 0.000 3.226 414 T HA 0.491 4.846 4.350 0.010 0.000 0.378 414 T C -2.834 171.850 174.700 -0.026 0.000 1.380 414 T CA -1.801 60.283 62.100 -0.027 0.000 1.396 414 T CB 1.699 70.549 68.868 -0.029 0.000 1.044 414 T HN -0.245 nan 8.240 nan 0.000 0.586 415 P HA 0.317 nan 4.420 nan 0.000 0.269 415 P C -2.424 174.854 177.300 -0.036 0.000 1.215 415 P CA -1.041 62.042 63.100 -0.029 0.000 0.780 415 P CB -0.275 31.414 31.700 -0.018 0.000 0.898 416 P HA 0.004 nan 4.420 nan 0.000 0.274 416 P C 0.917 178.186 177.300 -0.052 0.000 1.260 416 P CA -0.202 62.868 63.100 -0.050 0.000 0.793 416 P CB 0.296 31.961 31.700 -0.059 0.000 1.048 417 V N -0.746 119.139 119.914 -0.048 0.000 2.343 417 V HA -0.124 4.002 4.120 0.010 0.000 0.247 417 V C 1.233 177.294 176.094 -0.054 0.000 1.051 417 V CA 1.636 63.911 62.300 -0.042 0.000 1.036 417 V CB -0.661 31.141 31.823 -0.035 0.000 0.654 417 V HN 0.325 nan 8.190 nan 0.000 0.451 418 L N -1.095 120.085 121.223 -0.072 0.000 2.333 418 L HA 0.399 4.744 4.340 0.010 0.000 0.269 418 L C 0.752 177.524 176.870 -0.163 0.000 1.010 418 L CA -0.215 54.567 54.840 -0.096 0.000 0.818 418 L CB 2.248 44.273 42.059 -0.057 0.000 1.306 418 L HN -0.150 nan 8.230 nan 0.000 0.430 419 V N 2.386 122.147 119.914 -0.256 0.000 3.541 419 V HA -0.041 4.085 4.120 0.010 0.000 0.267 419 V C 2.247 178.224 176.094 -0.195 0.000 1.213 419 V CA 0.914 63.003 62.300 -0.351 0.000 1.149 419 V CB -0.411 30.992 31.823 -0.701 0.000 0.822 419 V HN 0.833 nan 8.190 nan 0.000 0.462 420 R N 0.233 120.661 120.500 -0.119 0.000 2.139 420 R HA -0.162 4.183 4.340 0.010 0.000 0.243 420 R C 1.335 177.604 176.300 -0.052 0.000 1.145 420 R CA 2.237 58.303 56.100 -0.056 0.000 0.976 420 R CB -0.057 30.241 30.300 -0.004 0.000 0.866 420 R HN 0.561 nan 8.270 nan 0.000 0.449 421 D N -0.933 119.429 120.400 -0.063 0.000 2.398 421 D HA 0.164 4.810 4.640 0.010 0.000 0.210 421 D C 0.724 176.988 176.300 -0.061 0.000 1.094 421 D CA 0.781 54.748 54.000 -0.053 0.000 0.839 421 D CB 1.058 41.829 40.800 -0.048 0.000 0.963 421 D HN 0.452 nan 8.370 nan 0.000 0.506 422 G N 0.967 109.720 108.800 -0.079 0.000 2.593 422 G HA2 -0.092 3.874 3.960 0.010 0.000 0.237 422 G HA3 -0.092 3.874 3.960 0.010 0.000 0.237 422 G C 0.755 175.618 174.900 -0.061 0.000 1.312 422 G CA -0.039 45.019 45.100 -0.071 0.000 0.896 422 G HN 0.721 nan 8.290 nan 0.000 0.574 423 G N -2.814 105.963 108.800 -0.039 0.000 2.249 423 G HA2 0.051 4.017 3.960 0.010 0.000 0.273 423 G HA3 0.051 4.017 3.960 0.010 0.000 0.273 423 G C 0.967 175.845 174.900 -0.038 0.000 1.036 423 G CA 1.378 46.460 45.100 -0.029 0.000 0.824 423 G HN 1.831 nan 8.290 nan 0.000 0.504 424 V N -0.021 119.866 119.914 -0.046 0.000 3.013 424 V HA 0.287 4.413 4.120 0.010 0.000 0.238 424 V C 1.534 177.613 176.094 -0.024 0.000 1.161 424 V CA 0.537 62.809 62.300 -0.047 0.000 1.170 424 V CB 0.105 31.869 31.823 -0.099 0.000 0.917 424 V HN 0.384 nan 8.190 nan 0.000 0.478 425 I N 2.156 122.716 120.570 -0.016 0.000 2.452 425 I HA 0.298 4.474 4.170 0.010 0.000 0.287 425 I C 0.720 176.832 176.117 -0.009 0.000 1.079 425 I CA 0.020 61.299 61.300 -0.034 0.000 1.387 425 I CB 0.453 38.466 38.000 0.021 0.000 1.404 425 I HN 0.187 nan 8.210 nan 0.000 0.522 426 A N 5.695 128.494 122.820 -0.034 0.000 2.445 426 A HA 0.267 4.593 4.320 0.010 0.000 0.242 426 A C 0.770 178.396 177.584 0.071 0.000 1.075 426 A CA -0.108 51.937 52.037 0.013 0.000 0.777 426 A CB 0.156 19.158 19.000 0.003 0.000 1.013 426 A HN 0.735 nan 8.150 nan 0.000 0.493 427 S N -0.022 115.717 115.700 0.064 0.000 2.573 427 S HA 0.449 4.924 4.470 0.010 0.000 0.277 427 S C 1.511 176.166 174.600 0.092 0.000 1.346 427 S CA 0.914 59.161 58.200 0.077 0.000 1.034 427 S CB 0.738 63.969 63.200 0.052 0.000 0.879 427 S HN 2.163 nan 8.310 nan 0.000 0.528 428 G N 0.795 109.649 108.800 0.090 0.000 2.241 428 G HA2 -0.314 3.651 3.960 0.010 0.000 0.244 428 G HA3 -0.314 3.651 3.960 0.010 0.000 0.244 428 G C 0.618 175.588 174.900 0.116 0.000 0.998 428 G CA 0.566 45.715 45.100 0.082 0.000 0.621 428 G HN 0.725 nan 8.290 nan 0.000 0.519 429 Y N 1.614 121.925 120.300 0.019 0.000 2.243 429 Y HA 0.317 4.873 4.550 0.009 0.000 0.293 429 Y C 1.072 176.985 175.900 0.021 0.000 1.124 429 Y CA 1.551 59.664 58.100 0.021 0.000 1.159 429 Y CB 0.430 38.905 38.460 0.025 0.000 1.008 429 Y HN 0.304 nan 8.280 nan 0.000 0.527 430 N N 0.391 119.115 118.700 0.040 0.000 2.480 430 N HA 0.043 4.789 4.740 0.010 0.000 0.289 430 N C 0.157 175.671 175.510 0.008 0.000 1.073 430 N CA 0.019 53.045 53.050 -0.039 0.000 0.885 430 N CB 1.609 40.118 38.487 0.038 0.000 1.421 430 N HN 0.357 nan 8.380 nan 0.000 0.503 431 E N 2.366 122.549 120.200 -0.029 0.000 2.058 431 E HA -0.233 4.123 4.350 0.010 0.000 0.194 431 E C 1.263 177.841 176.600 -0.036 0.000 0.997 431 E CA 1.556 57.938 56.400 -0.030 0.000 0.801 431 E CB 0.181 29.852 29.700 -0.047 0.000 0.746 431 E HN 0.751 nan 8.360 nan 0.000 0.450 432 E N -0.077 120.108 120.200 -0.025 0.000 2.077 432 E HA -0.232 4.124 4.350 0.010 0.000 0.193 432 E C 2.156 178.780 176.600 0.041 0.000 0.989 432 E CA 1.151 57.526 56.400 -0.042 0.000 0.800 432 E CB -0.128 29.594 29.700 0.036 0.000 0.746 432 E HN 0.275 nan 8.360 nan 0.000 0.452 433 L N 2.167 123.474 121.223 0.141 0.000 1.961 433 L HA -0.194 4.152 4.340 0.010 0.000 0.210 433 L C 1.656 178.620 176.870 0.157 0.000 1.072 433 L CA 2.608 57.578 54.840 0.216 0.000 0.749 433 L CB -0.692 41.473 42.059 0.177 0.000 0.889 433 L HN 0.231 nan 8.230 nan 0.000 0.432 434 D N -0.987 119.469 120.400 0.092 0.000 2.392 434 D HA -0.228 4.417 4.640 0.010 0.000 0.228 434 D C 1.724 178.042 176.300 0.029 0.000 1.003 434 D CA 1.088 55.128 54.000 0.066 0.000 0.917 434 D CB -0.516 40.316 40.800 0.053 0.000 0.890 434 D HN 0.785 nan 8.370 nan 0.000 0.532 435 E N -0.836 119.357 120.200 -0.013 0.000 2.415 435 E HA -0.030 4.326 4.350 0.010 0.000 0.197 435 E C 1.257 177.779 176.600 -0.131 0.000 1.007 435 E CA -0.228 56.107 56.400 -0.108 0.000 0.890 435 E CB -0.316 29.260 29.700 -0.206 0.000 0.891 435 E HN 0.375 nan 8.360 nan 0.000 0.496 436 W N 1.267 122.561 121.300 -0.011 0.000 2.494 436 W HA 0.147 4.813 4.660 0.010 0.000 0.286 436 W C 2.448 178.954 176.519 -0.022 0.000 1.218 436 W CA 0.172 57.506 57.345 -0.019 0.000 1.313 436 W CB 0.256 29.706 29.460 -0.017 0.000 1.105 436 W HN -0.019 nan 8.180 nan 0.000 0.561 437 R N 0.195 120.831 120.500 0.228 0.000 2.096 437 R HA -0.134 4.212 4.340 0.010 0.000 0.235 437 R C 2.316 178.666 176.300 0.083 0.000 1.127 437 R CA 1.450 57.625 56.100 0.124 0.000 0.968 437 R CB -0.833 29.521 30.300 0.090 0.000 0.861 437 R HN 0.120 nan 8.270 nan 0.000 0.440 438 A N 1.120 123.975 122.820 0.058 0.000 1.978 438 A HA -0.145 4.181 4.320 0.010 0.000 0.220 438 A C 2.041 179.642 177.584 0.029 0.000 1.170 438 A CA 1.247 53.299 52.037 0.026 0.000 0.636 438 A CB -0.388 18.606 19.000 -0.010 0.000 0.810 438 A HN 0.151 nan 8.150 nan 0.000 0.448 439 L N -1.258 119.992 121.223 0.045 0.000 2.004 439 L HA -0.012 4.334 4.340 0.010 0.000 0.205 439 L C 3.028 179.927 176.870 0.049 0.000 1.089 439 L CA 0.845 55.714 54.840 0.048 0.000 0.756 439 L CB -0.890 41.223 42.059 0.090 0.000 0.900 439 L HN 0.326 nan 8.230 nan 0.000 0.440 440 A N -0.449 122.418 122.820 0.078 0.000 2.054 440 A HA -0.316 4.010 4.320 0.010 0.000 0.223 440 A C 1.860 179.457 177.584 0.023 0.000 1.169 440 A CA 2.663 54.714 52.037 0.023 0.000 0.655 440 A CB -0.565 18.457 19.000 0.035 0.000 0.812 440 A HN 0.617 nan 8.150 nan 0.000 0.462 441 D N -2.799 117.630 120.400 0.048 0.000 3.084 441 D HA 0.122 4.768 4.640 0.010 0.000 0.294 441 D C 2.032 178.373 176.300 0.069 0.000 1.165 441 D CA 1.111 55.143 54.000 0.053 0.000 1.008 441 D CB -0.817 40.008 40.800 0.043 0.000 1.266 441 D HN 0.162 nan 8.370 nan 0.000 0.449 442 G N 0.626 109.461 108.800 0.057 0.000 2.507 442 G HA2 -0.185 3.781 3.960 0.010 0.000 0.221 442 G HA3 -0.185 3.781 3.960 0.010 0.000 0.221 442 G C 1.185 176.134 174.900 0.082 0.000 1.119 442 G CA 1.122 46.255 45.100 0.055 0.000 0.751 442 G HN 0.461 nan 8.290 nan 0.000 0.574 443 A N 0.463 123.351 122.820 0.113 0.000 2.579 443 A HA 0.447 4.773 4.320 0.010 0.000 0.273 443 A C 1.983 179.754 177.584 0.311 0.000 1.363 443 A CA 1.120 53.273 52.037 0.193 0.000 0.953 443 A CB -0.460 18.653 19.000 0.188 0.000 1.034 443 A HN 0.369 nan 8.150 nan 0.000 0.536 444 T N -4.185 110.490 114.554 0.202 0.000 3.057 444 T HA -0.001 4.355 4.350 0.010 0.000 0.254 444 T C 0.878 175.631 174.700 0.089 0.000 1.094 444 T CA 0.816 63.024 62.100 0.180 0.000 1.088 444 T CB -0.109 68.839 68.868 0.133 0.000 0.934 444 T HN 0.238 nan 8.240 nan 0.000 0.497 445 D N 0.907 121.356 120.400 0.082 0.000 2.178 445 D HA -0.068 4.578 4.640 0.010 0.000 0.201 445 D C 1.449 177.758 176.300 0.015 0.000 0.980 445 D CA 0.846 54.870 54.000 0.040 0.000 0.842 445 D CB -0.451 40.378 40.800 0.047 0.000 0.948 445 D HN 0.557 nan 8.370 nan 0.000 0.472 446 Y N 1.244 121.492 120.300 -0.086 0.000 2.181 446 Y HA -0.171 4.385 4.550 0.010 0.000 0.288 446 Y C 1.949 177.699 175.900 -0.250 0.000 1.146 446 Y CA 1.316 59.317 58.100 -0.165 0.000 1.164 446 Y CB -0.443 37.896 38.460 -0.202 0.000 0.982 446 Y HN -0.062 nan 8.280 nan 0.000 0.515 447 L N 0.312 121.238 121.223 -0.495 0.000 2.042 447 L HA -0.232 4.114 4.340 0.010 0.000 0.210 447 L C 2.616 179.266 176.870 -0.366 0.000 1.076 447 L CA 2.035 56.545 54.840 -0.550 0.000 0.749 447 L CB -0.615 41.289 42.059 -0.257 0.000 0.893 447 L HN 0.320 nan 8.230 nan 0.000 0.432 448 E N 0.541 120.610 120.200 -0.217 0.000 2.110 448 E HA -0.247 4.108 4.350 0.010 0.000 0.193 448 E C 2.306 178.810 176.600 -0.160 0.000 0.988 448 E CA 1.296 57.612 56.400 -0.141 0.000 0.804 448 E CB 0.119 29.774 29.700 -0.076 0.000 0.745 448 E HN 0.479 nan 8.360 nan 0.000 0.458 449 R N 0.153 120.534 120.500 -0.199 0.000 2.127 449 R HA -0.030 4.316 4.340 0.010 0.000 0.217 449 R C 2.389 178.564 176.300 -0.207 0.000 1.074 449 R CA 0.783 56.788 56.100 -0.158 0.000 0.991 449 R CB -0.564 29.676 30.300 -0.100 0.000 0.895 449 R HN 0.170 nan 8.270 nan 0.000 0.450 450 L N 2.061 123.054 121.223 -0.383 0.000 2.131 450 L HA -0.120 4.226 4.340 0.010 0.000 0.210 450 L C 2.344 179.087 176.870 -0.213 0.000 1.092 450 L CA 1.951 56.569 54.840 -0.371 0.000 0.759 450 L CB -0.417 41.236 42.059 -0.678 0.000 0.903 450 L HN 0.396 nan 8.230 nan 0.000 0.435 451 E N -0.655 119.427 120.200 -0.195 0.000 2.047 451 E HA -0.184 4.172 4.350 0.010 0.000 0.191 451 E C 2.103 178.666 176.600 -0.062 0.000 0.987 451 E CA 1.967 58.304 56.400 -0.105 0.000 0.799 451 E CB -0.152 29.494 29.700 -0.090 0.000 0.752 451 E HN 0.477 nan 8.360 nan 0.000 0.449 452 V N -0.237 119.636 119.914 -0.067 0.000 2.427 452 V HA -0.179 3.947 4.120 0.010 0.000 0.248 452 V C 2.591 178.663 176.094 -0.036 0.000 1.051 452 V CA 1.956 64.231 62.300 -0.042 0.000 1.048 452 V CB -0.956 30.843 31.823 -0.041 0.000 0.666 452 V HN 0.194 nan 8.190 nan 0.000 0.456 453 R N 0.460 120.930 120.500 -0.049 0.000 2.088 453 R HA -0.175 4.170 4.340 0.010 0.000 0.232 453 R C 2.452 178.742 176.300 -0.016 0.000 1.136 453 R CA 2.206 58.285 56.100 -0.034 0.000 0.926 453 R CB -0.460 29.813 30.300 -0.045 0.000 0.837 453 R HN 0.523 nan 8.270 nan 0.000 0.429 454 E N 0.318 120.511 120.200 -0.010 0.000 2.153 454 E HA -0.213 4.143 4.350 0.010 0.000 0.194 454 E C 2.004 178.621 176.600 0.027 0.000 0.988 454 E CA 0.934 57.355 56.400 0.035 0.000 0.811 454 E CB -0.272 29.478 29.700 0.083 0.000 0.746 454 E HN 0.395 nan 8.360 nan 0.000 0.466 455 R N 1.111 121.618 120.500 0.010 0.000 2.075 455 R HA -0.131 4.215 4.340 0.010 0.000 0.232 455 R C 1.844 178.139 176.300 -0.009 0.000 1.126 455 R CA 1.409 57.512 56.100 0.006 0.000 0.963 455 R CB 0.057 30.358 30.300 0.002 0.000 0.858 455 R HN 0.159 nan 8.270 nan 0.000 0.435 456 E N -0.199 119.994 120.200 -0.012 0.000 2.072 456 E HA -0.162 4.194 4.350 0.010 0.000 0.190 456 E C 2.177 178.766 176.600 -0.020 0.000 0.982 456 E CA 0.701 57.091 56.400 -0.016 0.000 0.803 456 E CB -0.079 29.612 29.700 -0.015 0.000 0.755 456 E HN 0.269 nan 8.360 nan 0.000 0.453 457 R N 0.683 121.173 120.500 -0.017 0.000 2.081 457 R HA -0.132 4.214 4.340 0.010 0.000 0.235 457 R C 2.482 178.757 176.300 -0.042 0.000 1.131 457 R CA 2.008 58.095 56.100 -0.022 0.000 0.960 457 R CB -0.239 30.055 30.300 -0.010 0.000 0.856 457 R HN 0.252 nan 8.270 nan 0.000 0.436 458 T N -3.624 110.899 114.554 -0.052 0.000 2.985 458 T HA 0.100 4.456 4.350 0.010 0.000 0.266 458 T C 1.415 176.067 174.700 -0.080 0.000 1.076 458 T CA 0.822 62.864 62.100 -0.096 0.000 1.135 458 T CB 0.094 68.884 68.868 -0.130 0.000 0.890 458 T HN 0.452 nan 8.240 nan 0.000 0.480 459 G N 1.393 110.162 108.800 -0.052 0.000 2.153 459 G HA2 -0.208 3.758 3.960 0.010 0.000 0.252 459 G HA3 -0.208 3.758 3.960 0.010 0.000 0.252 459 G C -0.066 174.806 174.900 -0.046 0.000 0.994 459 G CA 0.284 45.358 45.100 -0.044 0.000 0.698 459 G HN 0.664 nan 8.290 nan 0.000 0.521 460 L N 1.469 122.662 121.223 -0.049 0.000 2.259 460 L HA 0.343 4.689 4.340 0.010 0.000 0.288 460 L C 1.283 178.144 176.870 -0.014 0.000 1.051 460 L CA -0.361 54.454 54.840 -0.043 0.000 0.824 460 L CB 1.061 43.085 42.059 -0.059 0.000 1.206 460 L HN 0.270 nan 8.230 nan 0.000 0.429 461 D N -0.185 120.209 120.400 -0.010 0.000 2.347 461 D HA -0.151 4.495 4.640 0.010 0.000 0.215 461 D C 1.522 177.830 176.300 0.012 0.000 0.976 461 D CA 0.949 54.949 54.000 0.000 0.000 0.884 461 D CB -0.056 40.743 40.800 -0.002 0.000 0.915 461 D HN 0.558 nan 8.370 nan 0.000 0.526 462 T N -1.988 112.576 114.554 0.018 0.000 3.129 462 T HA 0.081 4.436 4.350 0.010 0.000 0.251 462 T C 1.001 175.733 174.700 0.052 0.000 1.117 462 T CA -0.594 61.526 62.100 0.033 0.000 1.034 462 T CB -0.546 68.344 68.868 0.037 0.000 0.968 462 T HN 0.179 nan 8.240 nan 0.000 0.526 463 L N 2.027 123.281 121.223 0.051 0.000 2.513 463 L HA 0.263 4.609 4.340 0.010 0.000 0.272 463 L C -0.402 176.511 176.870 0.071 0.000 1.187 463 L CA 0.240 55.127 54.840 0.079 0.000 0.895 463 L CB 0.199 42.302 42.059 0.074 0.000 1.147 463 L HN 0.041 nan 8.230 nan 0.000 0.483 464 K N 4.313 124.773 120.400 0.101 0.000 2.422 464 K HA 0.499 4.825 4.320 0.010 0.000 0.251 464 K C -1.267 175.384 176.600 0.085 0.000 0.933 464 K CA -0.655 55.682 56.287 0.084 0.000 0.798 464 K CB 2.320 34.883 32.500 0.105 0.000 1.238 464 K HN 0.321 nan 8.250 nan 0.000 0.428 465 V N 1.048 120.965 119.914 0.004 0.000 2.532 465 V HA 0.792 4.917 4.120 0.010 0.000 0.295 465 V C 0.562 176.557 176.094 -0.166 0.000 1.041 465 V CA -0.333 61.920 62.300 -0.078 0.000 0.926 465 V CB 1.628 33.383 31.823 -0.113 0.000 0.992 465 V HN 0.956 nan 8.190 nan 0.000 0.457 466 G N 2.533 111.017 108.800 -0.527 0.000 2.645 466 G HA2 0.701 4.666 3.960 0.010 0.000 0.292 466 G HA3 0.701 4.666 3.960 0.010 0.000 0.292 466 G C -2.077 172.296 174.900 -0.878 0.000 1.415 466 G CA -0.511 44.210 45.100 -0.632 0.000 0.785 466 G HN 0.544 nan 8.290 nan 0.000 0.483 467 F N 0.638 120.251 119.950 -0.561 0.000 2.588 467 F HA 0.737 5.270 4.527 0.010 0.000 0.310 467 F C -1.046 174.731 175.800 -0.039 0.000 1.082 467 F CA -1.043 56.680 58.000 -0.462 0.000 0.929 467 F CB 2.421 40.977 39.000 -0.740 0.000 1.254 467 F HN 0.499 nan 8.300 nan 0.000 0.455 468 N N 3.520 121.565 118.700 -1.093 0.000 2.397 468 N HA 0.417 5.163 4.740 0.010 0.000 0.291 468 N C -0.047 174.792 175.510 -1.117 0.000 1.065 468 N CA 0.186 52.863 53.050 -0.621 0.000 0.884 468 N CB 2.340 40.749 38.487 -0.130 0.000 1.551 468 N HN 0.869 nan 8.380 nan 0.000 0.487 469 A N 2.928 125.433 122.820 -0.525 0.000 1.908 469 A HA -0.080 4.245 4.320 0.010 0.000 0.218 469 A C 1.809 179.252 177.584 -0.235 0.000 1.181 469 A CA 1.639 53.537 52.037 -0.230 0.000 0.627 469 A CB -0.391 18.624 19.000 0.025 0.000 0.818 469 A HN 0.470 nan 8.150 nan 0.000 0.445 470 V N -0.976 118.794 119.914 -0.240 0.000 2.323 470 V HA -0.189 3.937 4.120 0.010 0.000 0.244 470 V C 2.107 177.939 176.094 -0.437 0.000 1.041 470 V CA 2.289 64.399 62.300 -0.316 0.000 1.025 470 V CB -0.839 30.764 31.823 -0.366 0.000 0.656 470 V HN 0.762 nan 8.190 nan 0.000 0.451 471 H N -0.911 118.052 119.070 -0.178 0.000 2.622 471 H HA 0.489 5.051 4.556 0.010 0.000 0.269 471 H C 1.107 176.364 175.328 -0.119 0.000 0.977 471 H CA 0.559 56.530 56.048 -0.128 0.000 1.179 471 H CB 0.528 30.214 29.762 -0.126 0.000 1.458 471 H HN 0.547 nan 8.280 nan 0.000 0.531 472 G N -0.108 108.562 108.800 -0.216 0.000 2.660 472 G HA2 -0.275 3.691 3.960 0.010 0.000 0.215 472 G HA3 -0.275 3.691 3.960 0.010 0.000 0.215 472 G C -0.875 173.931 174.900 -0.156 0.000 1.345 472 G CA -0.738 44.236 45.100 -0.210 0.000 0.877 472 G HN 0.214 nan 8.290 nan 0.000 0.549 473 Y N 0.468 120.873 120.300 0.174 0.000 2.457 473 Y HA 0.524 5.080 4.550 0.010 0.000 0.341 473 Y C 1.014 177.002 175.900 0.147 0.000 1.240 473 Y CA 1.526 59.728 58.100 0.170 0.000 1.437 473 Y CB 0.737 39.360 38.460 0.271 0.000 1.328 473 Y HN 0.851 nan 8.280 nan 0.000 0.588 474 Y N -1.261 119.177 120.300 0.231 0.000 2.656 474 Y HA 0.711 5.267 4.550 0.010 0.000 0.334 474 Y C -1.808 174.142 175.900 0.083 0.000 1.179 474 Y CA -2.143 56.021 58.100 0.106 0.000 1.050 474 Y CB 0.717 39.194 38.460 0.029 0.000 1.308 474 Y HN 0.345 nan 8.280 nan 0.000 0.456 475 I N 2.443 123.183 120.570 0.284 0.000 2.378 475 I HA 0.368 4.544 4.170 0.010 0.000 0.291 475 I C -0.686 175.672 176.117 0.402 0.000 0.992 475 I CA -0.705 60.728 61.300 0.221 0.000 1.154 475 I CB 1.909 39.903 38.000 -0.011 0.000 1.315 475 I HN 0.664 nan 8.210 nan 0.000 0.448 476 Q N 6.959 126.989 119.800 0.383 0.000 2.322 476 Q HA 0.659 5.005 4.340 0.010 0.000 0.265 476 Q C -1.511 174.639 176.000 0.250 0.000 0.985 476 Q CA -0.574 55.412 55.803 0.304 0.000 0.849 476 Q CB 1.835 30.741 28.738 0.281 0.000 1.274 476 Q HN 0.604 nan 8.270 nan 0.000 0.449 477 I N 2.204 122.938 120.570 0.273 0.000 2.646 477 I HA 0.299 4.474 4.170 0.010 0.000 0.299 477 I C 0.182 176.379 176.117 0.134 0.000 1.036 477 I CA -0.915 60.503 61.300 0.197 0.000 1.074 477 I CB 2.179 40.306 38.000 0.211 0.000 1.258 477 I HN 0.712 nan 8.210 nan 0.000 0.430 478 S N 4.695 120.445 115.700 0.083 0.000 2.573 478 S HA 0.106 4.581 4.470 0.010 0.000 0.277 478 S C 1.156 175.798 174.600 0.069 0.000 1.346 478 S CA -0.246 57.989 58.200 0.059 0.000 1.034 478 S CB 1.018 64.244 63.200 0.043 0.000 0.879 478 S HN 0.807 nan 8.310 nan 0.000 0.528 479 R N 2.011 122.545 120.500 0.058 0.000 2.091 479 R HA -0.074 4.271 4.340 0.010 0.000 0.238 479 R C 2.335 178.702 176.300 0.111 0.000 1.136 479 R CA 1.708 57.852 56.100 0.073 0.000 0.959 479 R CB -1.334 28.992 30.300 0.044 0.000 0.856 479 R HN 0.894 nan 8.270 nan 0.000 0.437 480 G N -0.042 108.813 108.800 0.092 0.000 2.475 480 G HA2 -0.281 3.684 3.960 0.010 0.000 0.220 480 G HA3 -0.281 3.684 3.960 0.010 0.000 0.220 480 G C 1.189 176.172 174.900 0.139 0.000 1.125 480 G CA 0.707 45.883 45.100 0.125 0.000 0.755 480 G HN 0.445 nan 8.290 nan 0.000 0.565 481 Q N -0.027 119.788 119.800 0.025 0.000 2.319 481 Q HA 0.079 4.424 4.340 0.010 0.000 0.209 481 Q C 2.651 178.526 176.000 -0.209 0.000 0.884 481 Q CA 0.496 56.217 55.803 -0.136 0.000 0.938 481 Q CB 0.447 29.140 28.738 -0.074 0.000 1.098 481 Q HN 0.600 nan 8.270 nan 0.000 0.517 482 S N 0.282 115.973 115.700 -0.014 0.000 2.419 482 S HA -0.208 4.267 4.470 0.010 0.000 0.233 482 S C 1.637 176.259 174.600 0.037 0.000 1.016 482 S CA 1.411 59.658 58.200 0.079 0.000 0.974 482 S CB -0.569 62.754 63.200 0.205 0.000 0.786 482 S HN 0.666 nan 8.310 nan 0.000 0.492 483 H N 0.702 119.794 119.070 0.036 0.000 2.545 483 H HA 0.271 4.833 4.556 0.010 0.000 0.282 483 H C 1.476 176.789 175.328 -0.025 0.000 1.020 483 H CA 0.955 57.011 56.048 0.014 0.000 1.243 483 H CB -0.482 29.286 29.762 0.010 0.000 1.377 483 H HN 0.409 nan 8.280 nan 0.000 0.581 484 L N 0.334 121.332 121.223 -0.374 0.000 2.607 484 L HA 0.392 4.738 4.340 0.010 0.000 0.228 484 L C 1.034 177.747 176.870 -0.262 0.000 1.123 484 L CA -0.281 54.381 54.840 -0.296 0.000 0.890 484 L CB 0.098 41.939 42.059 -0.362 0.000 1.103 484 L HN 0.342 nan 8.230 nan 0.000 0.468 485 A N 0.645 123.291 122.820 -0.291 0.000 2.386 485 A HA 0.472 4.798 4.320 0.010 0.000 0.248 485 A C -2.100 175.190 177.584 -0.490 0.000 1.082 485 A CA -1.048 50.696 52.037 -0.489 0.000 0.789 485 A CB -0.344 18.275 19.000 -0.635 0.000 1.025 485 A HN -0.043 nan 8.150 nan 0.000 0.490 486 P HA 0.021 nan 4.420 nan 0.000 0.266 486 P C 0.850 177.991 177.300 -0.264 0.000 1.193 486 P CA 0.121 62.950 63.100 -0.452 0.000 0.770 486 P CB 0.245 31.620 31.700 -0.541 0.000 0.836 487 I N -0.350 120.151 120.570 -0.115 0.000 3.444 487 I HA -0.036 4.140 4.170 0.010 0.000 0.287 487 I C 0.877 177.015 176.117 0.035 0.000 1.302 487 I CA 0.731 62.014 61.300 -0.028 0.000 1.368 487 I CB -0.624 37.370 38.000 -0.011 0.000 1.048 487 I HN 0.155 nan 8.210 nan 0.000 0.487 488 N N -0.254 118.478 118.700 0.054 0.000 2.280 488 N HA -0.060 4.686 4.740 0.010 0.000 0.192 488 N C -0.157 175.492 175.510 0.231 0.000 1.109 488 N CA -0.207 52.914 53.050 0.118 0.000 0.855 488 N CB -0.418 38.127 38.487 0.097 0.000 0.974 488 N HN 0.286 nan 8.380 nan 0.000 0.482 489 Y N 1.724 122.004 120.300 -0.033 0.000 2.496 489 Y HA 0.236 4.792 4.550 0.010 0.000 0.334 489 Y C 0.710 176.692 175.900 0.136 0.000 1.080 489 Y CA -0.851 57.238 58.100 -0.020 0.000 1.355 489 Y CB 0.382 38.643 38.460 -0.331 0.000 1.193 489 Y HN -0.065 nan 8.280 nan 0.000 0.523 490 M N 5.001 124.763 119.600 0.269 0.000 2.077 490 M HA 0.296 4.782 4.480 0.010 0.000 0.348 490 M C 0.381 176.836 176.300 0.258 0.000 1.252 490 M CA -0.231 55.204 55.300 0.225 0.000 1.096 490 M CB 0.724 33.403 32.600 0.132 0.000 1.568 490 M HN 0.478 nan 8.290 nan 0.000 0.456 491 R N 2.394 123.040 120.500 0.243 0.000 2.538 491 R HA -0.007 4.339 4.340 0.010 0.000 0.282 491 R C 0.834 177.106 176.300 -0.047 0.000 1.009 491 R CA 0.803 56.912 56.100 0.014 0.000 1.063 491 R CB 0.551 30.827 30.300 -0.040 0.000 0.945 491 R HN 0.793 nan 8.270 nan 0.000 0.414 492 R N 2.075 122.487 120.500 -0.147 0.000 2.320 492 R HA 0.102 4.448 4.340 0.010 0.000 0.193 492 R C -0.266 175.914 176.300 -0.201 0.000 0.885 492 R CA 0.082 56.126 56.100 -0.093 0.000 1.085 492 R CB 0.627 30.916 30.300 -0.019 0.000 1.253 492 R HN 0.669 nan 8.270 nan 0.000 0.636 493 Q N 1.024 120.623 119.800 -0.336 0.000 2.280 493 Q HA 0.242 4.588 4.340 0.010 0.000 0.259 493 Q C -1.753 174.003 176.000 -0.406 0.000 0.964 493 Q CA -0.536 54.994 55.803 -0.455 0.000 0.844 493 Q CB 2.387 30.708 28.738 -0.695 0.000 1.334 493 Q HN 0.143 nan 8.270 nan 0.000 0.423 494 T N 3.927 118.292 114.554 -0.315 0.000 2.875 494 T HA 0.600 4.955 4.350 0.010 0.000 0.284 494 T C -0.410 174.163 174.700 -0.212 0.000 0.995 494 T CA -0.271 61.683 62.100 -0.243 0.000 1.060 494 T CB 0.694 69.462 68.868 -0.166 0.000 0.967 494 T HN 0.412 nan 8.240 nan 0.000 0.476 495 L N 1.522 122.641 121.223 -0.173 0.000 2.183 495 L HA 0.564 4.910 4.340 0.010 0.000 0.253 495 L C 1.732 178.550 176.870 -0.085 0.000 1.048 495 L CA -0.861 53.900 54.840 -0.132 0.000 0.890 495 L CB 0.772 42.747 42.059 -0.141 0.000 1.476 495 L HN 0.499 nan 8.230 nan 0.000 0.455 496 K N -0.007 120.355 120.400 -0.063 0.000 1.991 496 K HA -0.078 4.248 4.320 0.010 0.000 0.212 496 K C 0.444 177.026 176.600 -0.030 0.000 1.049 496 K CA 1.930 58.192 56.287 -0.041 0.000 0.932 496 K CB 0.065 32.547 32.500 -0.031 0.000 0.717 496 K HN 0.534 nan 8.250 nan 0.000 0.441 497 N N -0.422 118.261 118.700 -0.028 0.000 2.282 497 N HA 0.254 5.000 4.740 0.010 0.000 0.240 497 N C -1.416 174.089 175.510 -0.009 0.000 1.182 497 N CA 0.182 53.225 53.050 -0.012 0.000 0.874 497 N CB 1.633 40.117 38.487 -0.005 0.000 1.126 497 N HN 0.250 nan 8.380 nan 0.000 0.516 498 A N -0.301 122.501 122.820 -0.029 0.000 2.605 498 A HA 0.598 4.924 4.320 0.010 0.000 0.294 498 A C -1.314 176.226 177.584 -0.073 0.000 1.062 498 A CA -0.653 51.367 52.037 -0.028 0.000 0.682 498 A CB 1.806 20.782 19.000 -0.040 0.000 1.278 498 A HN -0.065 nan 8.150 nan 0.000 0.410 499 E N 0.731 120.900 120.200 -0.053 0.000 2.212 499 E HA 0.538 4.894 4.350 0.010 0.000 0.268 499 E C -0.924 175.512 176.600 -0.273 0.000 0.902 499 E CA -0.565 55.712 56.400 -0.205 0.000 0.779 499 E CB 2.293 31.889 29.700 -0.173 0.000 1.172 499 E HN 0.575 nan 8.360 nan 0.000 0.409 500 R N 1.907 122.112 120.500 -0.492 0.000 2.562 500 R HA 0.533 4.879 4.340 0.010 0.000 0.298 500 R C -0.915 175.111 176.300 -0.457 0.000 0.961 500 R CA -0.584 55.303 56.100 -0.355 0.000 0.881 500 R CB 1.281 31.274 30.300 -0.513 0.000 1.159 500 R HN 0.433 nan 8.270 nan 0.000 0.450 501 Y N 1.145 121.465 120.300 0.033 0.000 2.634 501 Y HA 0.598 5.154 4.550 0.010 0.000 0.340 501 Y C -0.527 175.353 175.900 -0.034 0.000 1.058 501 Y CA -1.230 56.868 58.100 -0.003 0.000 1.081 501 Y CB 1.484 39.938 38.460 -0.010 0.000 1.295 501 Y HN 0.362 nan 8.280 nan 0.000 0.487 502 I N 2.650 123.291 120.570 0.118 0.000 2.647 502 I HA 0.619 4.795 4.170 0.010 0.000 0.295 502 I C -1.149 174.959 176.117 -0.015 0.000 1.078 502 I CA -1.403 59.929 61.300 0.053 0.000 1.048 502 I CB 1.528 39.589 38.000 0.102 0.000 1.239 502 I HN 0.540 nan 8.210 nan 0.000 0.421 503 I N 4.371 124.912 120.570 -0.048 0.000 2.892 503 I HA 0.652 4.827 4.170 0.010 0.000 0.306 503 I C -2.263 173.875 176.117 0.035 0.000 1.078 503 I CA -2.218 59.072 61.300 -0.018 0.000 1.032 503 I CB 1.734 39.695 38.000 -0.064 0.000 1.229 503 I HN 0.280 nan 8.210 nan 0.000 0.435 504 P HA -0.207 nan 4.420 nan 0.000 0.216 504 P C 1.341 178.678 177.300 0.062 0.000 1.153 504 P CA 1.520 64.653 63.100 0.055 0.000 0.858 504 P CB 0.152 31.882 31.700 0.050 0.000 0.789 505 E N -0.641 119.600 120.200 0.067 0.000 2.051 505 E HA -0.204 4.151 4.350 0.010 0.000 0.192 505 E C 1.809 178.487 176.600 0.130 0.000 0.991 505 E CA 0.966 57.420 56.400 0.090 0.000 0.799 505 E CB -0.528 29.239 29.700 0.111 0.000 0.748 505 E HN 0.031 nan 8.360 nan 0.000 0.449 506 L N 1.189 122.486 121.223 0.124 0.000 2.156 506 L HA -0.060 4.285 4.340 0.010 0.000 0.208 506 L C 2.182 179.150 176.870 0.163 0.000 1.095 506 L CA 1.623 56.553 54.840 0.150 0.000 0.770 506 L CB -0.402 41.706 42.059 0.081 0.000 0.914 506 L HN -0.021 nan 8.230 nan 0.000 0.439 507 K N 0.227 120.702 120.400 0.124 0.000 2.057 507 K HA -0.138 4.188 4.320 0.010 0.000 0.206 507 K C 1.885 178.540 176.600 0.092 0.000 1.050 507 K CA 1.723 58.082 56.287 0.119 0.000 0.935 507 K CB -0.157 32.398 32.500 0.093 0.000 0.715 507 K HN 0.506 nan 8.250 nan 0.000 0.439 508 E N -1.030 119.213 120.200 0.071 0.000 2.077 508 E HA -0.221 4.134 4.350 0.010 0.000 0.193 508 E C 1.869 178.473 176.600 0.006 0.000 0.989 508 E CA 1.390 57.809 56.400 0.032 0.000 0.800 508 E CB -0.372 29.337 29.700 0.016 0.000 0.746 508 E HN 0.424 nan 8.360 nan 0.000 0.452 509 Y N 1.961 122.189 120.300 -0.121 0.000 2.207 509 Y HA -0.240 4.315 4.550 0.010 0.000 0.287 509 Y C 2.203 177.999 175.900 -0.173 0.000 1.156 509 Y CA 1.868 59.842 58.100 -0.209 0.000 1.182 509 Y CB 0.035 38.337 38.460 -0.263 0.000 0.979 509 Y HN -0.005 nan 8.280 nan 0.000 0.521 510 E N -0.252 119.913 120.200 -0.058 0.000 2.106 510 E HA -0.207 4.149 4.350 0.010 0.000 0.192 510 E C 1.307 177.897 176.600 -0.017 0.000 0.984 510 E CA 1.524 57.923 56.400 -0.001 0.000 0.806 510 E CB -0.034 29.829 29.700 0.272 0.000 0.750 510 E HN 0.571 nan 8.360 nan 0.000 0.458 511 D N 0.368 120.753 120.400 -0.024 0.000 2.162 511 D HA -0.086 4.560 4.640 0.010 0.000 0.203 511 D C 1.746 178.001 176.300 -0.075 0.000 0.967 511 D CA 0.753 54.739 54.000 -0.022 0.000 0.840 511 D CB -0.097 40.703 40.800 -0.000 0.000 0.972 511 D HN 0.131 nan 8.370 nan 0.000 0.482 512 K N 0.565 120.886 120.400 -0.132 0.000 1.991 512 K HA -0.099 4.227 4.320 0.010 0.000 0.212 512 K C 2.191 178.677 176.600 -0.190 0.000 1.049 512 K CA 0.896 57.095 56.287 -0.147 0.000 0.932 512 K CB -0.382 32.003 32.500 -0.192 0.000 0.717 512 K HN -0.039 nan 8.250 nan 0.000 0.441 513 V N 1.875 121.564 119.914 -0.375 0.000 2.287 513 V HA -0.244 3.882 4.120 0.010 0.000 0.248 513 V C 2.200 178.203 176.094 -0.152 0.000 1.053 513 V CA 1.728 63.825 62.300 -0.339 0.000 1.027 513 V CB -0.391 31.104 31.823 -0.548 0.000 0.646 513 V HN 0.282 nan 8.190 nan 0.000 0.447 514 L N -1.080 120.085 121.223 -0.097 0.000 2.240 514 L HA -0.075 4.271 4.340 0.010 0.000 0.211 514 L C 2.537 179.357 176.870 -0.083 0.000 1.106 514 L CA 1.273 56.082 54.840 -0.051 0.000 0.793 514 L CB -0.875 41.198 42.059 0.023 0.000 0.927 514 L HN 0.307 nan 8.230 nan 0.000 0.446 515 T N -0.295 114.206 114.554 -0.088 0.000 2.674 515 T HA -0.168 4.188 4.350 0.010 0.000 0.265 515 T C 2.141 176.706 174.700 -0.225 0.000 1.039 515 T CA 1.899 63.927 62.100 -0.120 0.000 1.150 515 T CB -0.174 68.653 68.868 -0.069 0.000 0.864 515 T HN 0.523 nan 8.240 nan 0.000 0.427 516 S N 0.976 116.584 115.700 -0.154 0.000 2.428 516 S HA -0.005 4.471 4.470 0.010 0.000 0.230 516 S C 1.933 176.410 174.600 -0.205 0.000 1.014 516 S CA 0.960 59.050 58.200 -0.183 0.000 0.957 516 S CB -0.238 63.118 63.200 0.260 0.000 0.784 516 S HN 0.296 nan 8.310 nan 0.000 0.499 517 K N 1.643 121.961 120.400 -0.137 0.000 2.097 517 K HA 0.094 4.419 4.320 0.010 0.000 0.205 517 K C 2.204 178.705 176.600 -0.164 0.000 1.050 517 K CA 1.248 57.465 56.287 -0.116 0.000 0.938 517 K CB -0.972 31.474 32.500 -0.090 0.000 0.718 517 K HN 0.463 nan 8.250 nan 0.000 0.442 518 G N 0.975 109.656 108.800 -0.198 0.000 2.404 518 G HA2 -0.225 3.741 3.960 0.010 0.000 0.215 518 G HA3 -0.225 3.741 3.960 0.010 0.000 0.215 518 G C 1.277 175.992 174.900 -0.308 0.000 1.174 518 G CA 0.553 45.529 45.100 -0.207 0.000 0.780 518 G HN 0.129 nan 8.290 nan 0.000 0.537 519 K N 1.079 121.160 120.400 -0.532 0.000 2.001 519 K HA -0.097 4.229 4.320 0.010 0.000 0.214 519 K C 2.928 179.160 176.600 -0.614 0.000 1.050 519 K CA 1.416 57.191 56.287 -0.854 0.000 0.934 519 K CB -1.062 30.203 32.500 -2.058 0.000 0.718 519 K HN 0.250 nan 8.250 nan 0.000 0.443 520 A N 1.262 123.814 122.820 -0.446 0.000 1.917 520 A HA -0.184 4.142 4.320 0.010 0.000 0.219 520 A C 2.198 179.727 177.584 -0.091 0.000 1.182 520 A CA 1.510 53.473 52.037 -0.125 0.000 0.633 520 A CB -0.495 18.507 19.000 0.003 0.000 0.819 520 A HN 0.212 nan 8.150 nan 0.000 0.448 521 L N -0.878 120.272 121.223 -0.122 0.000 2.131 521 L HA 0.160 4.506 4.340 0.010 0.000 0.206 521 L C 2.725 179.548 176.870 -0.078 0.000 1.087 521 L CA 1.759 56.549 54.840 -0.083 0.000 0.767 521 L CB -1.085 40.925 42.059 -0.082 0.000 0.917 521 L HN 0.351 nan 8.230 nan 0.000 0.441 522 A N -0.590 122.166 122.820 -0.107 0.000 1.877 522 A HA -0.218 4.108 4.320 0.010 0.000 0.216 522 A C 2.216 179.772 177.584 -0.046 0.000 1.186 522 A CA 1.981 53.970 52.037 -0.081 0.000 0.620 522 A CB -0.960 17.976 19.000 -0.107 0.000 0.822 522 A HN 0.423 nan 8.150 nan 0.000 0.443 523 L N 0.065 121.258 121.223 -0.050 0.000 2.093 523 L HA -0.102 4.244 4.340 0.010 0.000 0.208 523 L C 2.227 179.125 176.870 0.047 0.000 1.085 523 L CA 2.669 57.518 54.840 0.016 0.000 0.755 523 L CB -0.636 41.458 42.059 0.059 0.000 0.904 523 L HN 0.615 nan 8.230 nan 0.000 0.435 524 E N -0.445 119.773 120.200 0.031 0.000 2.077 524 E HA -0.247 4.109 4.350 0.010 0.000 0.193 524 E C 2.112 178.736 176.600 0.039 0.000 0.989 524 E CA 1.331 57.757 56.400 0.043 0.000 0.800 524 E CB -0.069 29.638 29.700 0.012 0.000 0.746 524 E HN 0.490 nan 8.360 nan 0.000 0.452 525 K N 0.196 120.600 120.400 0.006 0.000 2.147 525 K HA -0.214 4.112 4.320 0.010 0.000 0.205 525 K C 2.338 178.971 176.600 0.055 0.000 1.049 525 K CA 1.523 57.818 56.287 0.012 0.000 0.936 525 K CB -0.129 32.364 32.500 -0.013 0.000 0.722 525 K HN 0.274 nan 8.250 nan 0.000 0.446 526 Q N 0.993 120.820 119.800 0.045 0.000 2.172 526 Q HA -0.086 4.259 4.340 0.010 0.000 0.200 526 Q C 1.979 178.014 176.000 0.059 0.000 0.964 526 Q CA 0.784 56.616 55.803 0.048 0.000 0.855 526 Q CB 0.134 28.896 28.738 0.041 0.000 0.918 526 Q HN 0.293 nan 8.270 nan 0.000 0.444 527 L N -0.410 120.866 121.223 0.087 0.000 2.072 527 L HA -0.134 4.212 4.340 0.010 0.000 0.205 527 L C 2.333 179.233 176.870 0.050 0.000 1.079 527 L CA 1.043 55.956 54.840 0.121 0.000 0.752 527 L CB -0.557 41.628 42.059 0.210 0.000 0.906 527 L HN 0.284 nan 8.230 nan 0.000 0.436 528 Y N 1.073 121.307 120.300 -0.110 0.000 2.145 528 Y HA -0.254 4.302 4.550 0.010 0.000 0.286 528 Y C 2.686 178.330 175.900 -0.427 0.000 1.145 528 Y CA 1.604 59.555 58.100 -0.250 0.000 1.148 528 Y CB 0.062 38.387 38.460 -0.224 0.000 0.981 528 Y HN 0.105 nan 8.280 nan 0.000 0.507 529 E N 0.358 120.459 120.200 -0.165 0.000 2.110 529 E HA -0.268 4.088 4.350 0.010 0.000 0.193 529 E C 2.074 178.575 176.600 -0.165 0.000 0.988 529 E CA 1.464 57.732 56.400 -0.220 0.000 0.804 529 E CB -0.325 29.392 29.700 0.028 0.000 0.745 529 E HN 0.697 nan 8.360 nan 0.000 0.458 530 E N 0.654 120.805 120.200 -0.081 0.000 2.204 530 E HA -0.141 4.214 4.350 0.010 0.000 0.195 530 E C 2.158 178.741 176.600 -0.029 0.000 0.990 530 E CA 0.331 56.726 56.400 -0.009 0.000 0.821 530 E CB 0.001 29.726 29.700 0.041 0.000 0.750 530 E HN 0.216 nan 8.360 nan 0.000 0.477 531 L N 0.078 121.202 121.223 -0.165 0.000 2.141 531 L HA -0.147 4.199 4.340 0.010 0.000 0.209 531 L C 2.209 179.058 176.870 -0.034 0.000 1.094 531 L CA 0.584 55.332 54.840 -0.154 0.000 0.763 531 L CB -0.409 41.443 42.059 -0.345 0.000 0.908 531 L HN 0.171 nan 8.230 nan 0.000 0.437 532 F N 0.742 120.623 119.950 -0.114 0.000 2.102 532 F HA -0.212 4.322 4.527 0.010 0.000 0.298 532 F C 2.357 178.146 175.800 -0.019 0.000 1.105 532 F CA 0.921 58.876 58.000 -0.075 0.000 1.239 532 F CB -1.023 37.936 39.000 -0.069 0.000 0.991 532 F HN 0.152 nan 8.300 nan 0.000 0.474 533 D N 0.150 120.661 120.400 0.185 0.000 2.182 533 D HA -0.159 4.486 4.640 0.010 0.000 0.201 533 D C 2.403 178.765 176.300 0.103 0.000 0.986 533 D CA 1.087 55.157 54.000 0.117 0.000 0.847 533 D CB -0.428 40.423 40.800 0.085 0.000 0.942 533 D HN 0.270 nan 8.370 nan 0.000 0.467 534 L N -0.420 120.872 121.223 0.116 0.000 2.249 534 L HA 0.052 4.397 4.340 0.010 0.000 0.207 534 L C 2.350 179.341 176.870 0.202 0.000 1.090 534 L CA 0.273 55.195 54.840 0.137 0.000 0.802 534 L CB -0.054 42.080 42.059 0.126 0.000 0.947 534 L HN -0.010 nan 8.230 nan 0.000 0.453 535 L N -0.691 120.645 121.223 0.188 0.000 2.095 535 L HA -0.118 4.228 4.340 0.010 0.000 0.204 535 L C 2.434 179.425 176.870 0.201 0.000 1.080 535 L CA 0.772 55.744 54.840 0.219 0.000 0.759 535 L CB -0.325 41.833 42.059 0.166 0.000 0.914 535 L HN 0.206 nan 8.230 nan 0.000 0.439 536 L N 0.118 121.413 121.223 0.121 0.000 2.081 536 L HA -0.183 4.163 4.340 0.010 0.000 0.212 536 L C -0.251 176.635 176.870 0.025 0.000 1.080 536 L CA 1.412 56.287 54.840 0.057 0.000 0.754 536 L CB -1.660 40.417 42.059 0.030 0.000 0.893 536 L HN 0.219 nan 8.230 nan 0.000 0.433 537 P HA -0.173 nan 4.420 nan 0.000 0.222 537 P C 0.556 177.704 177.300 -0.252 0.000 1.142 537 P CA 1.560 64.553 63.100 -0.178 0.000 0.788 537 P CB -0.072 31.441 31.700 -0.311 0.000 0.767 538 H N -3.163 115.948 119.070 0.068 0.000 2.594 538 H HA 0.161 4.723 4.556 0.010 0.000 0.279 538 H C 1.538 176.909 175.328 0.071 0.000 1.042 538 H CA -0.472 55.632 56.048 0.092 0.000 1.177 538 H CB -0.191 29.641 29.762 0.117 0.000 1.524 538 H HN -0.065 nan 8.280 nan 0.000 0.537 539 L N 1.476 122.771 121.223 0.121 0.000 2.021 539 L HA -0.239 4.107 4.340 0.010 0.000 0.215 539 L C 2.258 179.184 176.870 0.094 0.000 1.074 539 L CA 1.995 56.883 54.840 0.080 0.000 0.760 539 L CB -0.405 41.685 42.059 0.052 0.000 0.889 539 L HN 0.370 nan 8.230 nan 0.000 0.433 540 E N -1.000 119.261 120.200 0.101 0.000 2.038 540 E HA -0.265 4.091 4.350 0.010 0.000 0.195 540 E C 2.071 178.752 176.600 0.134 0.000 1.000 540 E CA 1.384 57.848 56.400 0.105 0.000 0.803 540 E CB -0.257 29.499 29.700 0.093 0.000 0.750 540 E HN 0.618 nan 8.360 nan 0.000 0.448 541 A N 0.678 123.610 122.820 0.186 0.000 1.969 541 A HA -0.124 4.202 4.320 0.010 0.000 0.218 541 A C 2.169 179.934 177.584 0.302 0.000 1.169 541 A CA 0.945 53.141 52.037 0.265 0.000 0.635 541 A CB -0.526 18.686 19.000 0.354 0.000 0.810 541 A HN 0.292 nan 8.150 nan 0.000 0.445 542 L N -0.941 120.373 121.223 0.152 0.000 2.017 542 L HA -0.262 4.084 4.340 0.010 0.000 0.208 542 L C 2.919 179.820 176.870 0.051 0.000 1.073 542 L CA 1.690 56.514 54.840 -0.027 0.000 0.745 542 L CB -0.687 41.305 42.059 -0.112 0.000 0.894 542 L HN 0.477 nan 8.230 nan 0.000 0.432 543 Q N -0.594 119.247 119.800 0.070 0.000 2.084 543 Q HA -0.239 4.107 4.340 0.010 0.000 0.202 543 Q C 2.324 178.378 176.000 0.091 0.000 0.978 543 Q CA 1.266 57.112 55.803 0.072 0.000 0.844 543 Q CB -0.145 28.640 28.738 0.078 0.000 0.898 543 Q HN 0.487 nan 8.270 nan 0.000 0.426 544 Q N 0.093 119.960 119.800 0.112 0.000 2.112 544 Q HA -0.193 4.152 4.340 0.010 0.000 0.206 544 Q C 2.228 178.305 176.000 0.128 0.000 0.987 544 Q CA 1.623 57.495 55.803 0.116 0.000 0.858 544 Q CB -0.517 28.296 28.738 0.124 0.000 0.905 544 Q HN 0.265 nan 8.270 nan 0.000 0.420 545 S N 0.287 116.091 115.700 0.173 0.000 2.348 545 S HA -0.137 4.339 4.470 0.010 0.000 0.221 545 S C 2.044 176.721 174.600 0.129 0.000 1.033 545 S CA 1.388 59.708 58.200 0.200 0.000 1.010 545 S CB -0.202 63.204 63.200 0.344 0.000 0.891 545 S HN 0.439 nan 8.310 nan 0.000 0.442 546 A N 0.632 123.508 122.820 0.092 0.000 1.940 546 A HA -0.098 4.228 4.320 0.010 0.000 0.219 546 A C 2.451 180.067 177.584 0.054 0.000 1.176 546 A CA 2.356 54.427 52.037 0.056 0.000 0.631 546 A CB -1.425 17.593 19.000 0.030 0.000 0.814 546 A HN 0.655 nan 8.150 nan 0.000 0.446 547 S N -0.353 115.388 115.700 0.068 0.000 2.356 547 S HA -0.031 4.444 4.470 0.010 0.000 0.223 547 S C 2.222 176.867 174.600 0.074 0.000 1.032 547 S CA 1.654 59.898 58.200 0.072 0.000 1.005 547 S CB -0.583 62.667 63.200 0.083 0.000 0.867 547 S HN 0.913 nan 8.310 nan 0.000 0.449 548 A N 1.535 124.404 122.820 0.081 0.000 1.883 548 A HA -0.013 4.312 4.320 0.010 0.000 0.217 548 A C 2.291 179.908 177.584 0.056 0.000 1.186 548 A CA 1.738 53.820 52.037 0.074 0.000 0.624 548 A CB -0.958 18.089 19.000 0.078 0.000 0.822 548 A HN 0.599 nan 8.150 nan 0.000 0.444 549 L N -1.009 120.246 121.223 0.054 0.000 2.093 549 L HA -0.162 4.183 4.340 0.010 0.000 0.208 549 L C 3.091 179.964 176.870 0.006 0.000 1.085 549 L CA 0.952 55.813 54.840 0.035 0.000 0.755 549 L CB -0.516 41.569 42.059 0.044 0.000 0.904 549 L HN 0.446 nan 8.230 nan 0.000 0.435 550 A N -0.146 122.675 122.820 0.002 0.000 1.877 550 A HA -0.262 4.064 4.320 0.010 0.000 0.216 550 A C 2.265 179.804 177.584 -0.076 0.000 1.186 550 A CA 1.833 53.847 52.037 -0.038 0.000 0.620 550 A CB -0.539 18.441 19.000 -0.033 0.000 0.822 550 A HN 0.450 nan 8.150 nan 0.000 0.443 551 E N -0.275 119.910 120.200 -0.024 0.000 2.153 551 E HA -0.159 4.197 4.350 0.010 0.000 0.194 551 E C 1.893 178.480 176.600 -0.021 0.000 0.988 551 E CA 0.945 57.337 56.400 -0.014 0.000 0.811 551 E CB -0.198 29.589 29.700 0.145 0.000 0.746 551 E HN 0.633 nan 8.360 nan 0.000 0.466 552 L N 0.751 121.972 121.223 -0.003 0.000 2.056 552 L HA -0.188 4.157 4.340 0.010 0.000 0.207 552 L C 2.438 179.287 176.870 -0.035 0.000 1.078 552 L CA 1.385 56.220 54.840 -0.007 0.000 0.749 552 L CB -0.369 41.691 42.059 0.002 0.000 0.901 552 L HN 0.211 nan 8.230 nan 0.000 0.433 553 D N -0.218 120.151 120.400 -0.053 0.000 2.104 553 D HA -0.162 4.484 4.640 0.010 0.000 0.194 553 D C 2.117 178.356 176.300 -0.103 0.000 0.994 553 D CA 1.290 55.251 54.000 -0.066 0.000 0.830 553 D CB 0.060 40.819 40.800 -0.068 0.000 0.959 553 D HN 0.037 nan 8.370 nan 0.000 0.452 554 V N 0.590 120.397 119.914 -0.178 0.000 2.261 554 V HA -0.231 3.895 4.120 0.010 0.000 0.246 554 V C 2.786 178.790 176.094 -0.151 0.000 1.047 554 V CA 1.490 63.629 62.300 -0.270 0.000 1.015 554 V CB -0.594 30.848 31.823 -0.635 0.000 0.642 554 V HN 0.268 nan 8.190 nan 0.000 0.446 555 L N -0.480 120.696 121.223 -0.079 0.000 2.046 555 L HA -0.147 4.199 4.340 0.010 0.000 0.208 555 L C 2.492 179.354 176.870 -0.013 0.000 1.077 555 L CA 1.072 55.920 54.840 0.014 0.000 0.747 555 L CB -0.775 41.326 42.059 0.069 0.000 0.896 555 L HN 0.181 nan 8.230 nan 0.000 0.432 556 V N 0.558 120.457 119.914 -0.025 0.000 2.343 556 V HA -0.314 3.812 4.120 0.010 0.000 0.247 556 V C 2.291 178.369 176.094 -0.027 0.000 1.051 556 V CA 2.312 64.599 62.300 -0.021 0.000 1.036 556 V CB -0.783 31.032 31.823 -0.014 0.000 0.654 556 V HN 0.591 nan 8.190 nan 0.000 0.451 557 N N 0.097 118.775 118.700 -0.037 0.000 2.120 557 N HA -0.153 4.593 4.740 0.010 0.000 0.188 557 N C 1.734 177.228 175.510 -0.027 0.000 1.024 557 N CA 1.520 54.549 53.050 -0.035 0.000 0.852 557 N CB -0.261 38.197 38.487 -0.048 0.000 1.003 557 N HN 0.448 nan 8.380 nan 0.000 0.424 558 L N -0.223 120.987 121.223 -0.022 0.000 2.083 558 L HA -0.073 4.273 4.340 0.010 0.000 0.209 558 L C 2.559 179.399 176.870 -0.049 0.000 1.083 558 L CA 1.144 55.985 54.840 0.002 0.000 0.752 558 L CB -0.675 41.411 42.059 0.046 0.000 0.899 558 L HN 0.315 nan 8.230 nan 0.000 0.433 559 A N -0.344 122.430 122.820 -0.076 0.000 1.902 559 A HA -0.242 4.083 4.320 0.010 0.000 0.217 559 A C 2.329 179.878 177.584 -0.059 0.000 1.181 559 A CA 1.778 53.743 52.037 -0.119 0.000 0.623 559 A CB -0.494 18.454 19.000 -0.088 0.000 0.818 559 A HN 0.410 nan 8.150 nan 0.000 0.443 560 E N 0.173 120.355 120.200 -0.030 0.000 2.077 560 E HA -0.208 4.147 4.350 0.010 0.000 0.193 560 E C 2.143 178.742 176.600 -0.000 0.000 0.989 560 E CA 0.966 57.370 56.400 0.006 0.000 0.800 560 E CB -0.274 29.423 29.700 -0.004 0.000 0.746 560 E HN 0.448 nan 8.360 nan 0.000 0.452 561 R N 0.381 120.850 120.500 -0.051 0.000 2.070 561 R HA -0.064 4.282 4.340 0.010 0.000 0.233 561 R C 2.423 178.551 176.300 -0.287 0.000 1.137 561 R CA 1.237 57.256 56.100 -0.135 0.000 0.945 561 R CB -1.154 29.106 30.300 -0.067 0.000 0.845 561 R HN 0.244 nan 8.270 nan 0.000 0.430 562 A N 0.638 123.361 122.820 -0.161 0.000 1.917 562 A HA -0.248 4.078 4.320 0.010 0.000 0.219 562 A C 2.139 179.668 177.584 -0.092 0.000 1.182 562 A CA 1.666 53.636 52.037 -0.110 0.000 0.633 562 A CB -0.824 18.130 19.000 -0.077 0.000 0.819 562 A HN 0.468 nan 8.150 nan 0.000 0.448 563 Y N 0.828 121.043 120.300 -0.142 0.000 2.109 563 Y HA -0.148 4.408 4.550 0.009 0.000 0.285 563 Y C 2.696 178.525 175.900 -0.119 0.000 1.131 563 Y CA 2.420 60.466 58.100 -0.090 0.000 1.121 563 Y CB -0.787 37.633 38.460 -0.068 0.000 0.987 563 Y HN 0.273 nan 8.280 nan 0.000 0.495 564 T N 1.444 115.908 114.554 -0.150 0.000 2.746 564 T HA -0.132 4.224 4.350 0.010 0.000 0.267 564 T C 1.697 176.212 174.700 -0.308 0.000 1.039 564 T CA 1.819 63.776 62.100 -0.239 0.000 1.142 564 T CB -0.429 68.398 68.868 -0.069 0.000 0.866 564 T HN 0.312 nan 8.240 nan 0.000 0.444 565 L N 1.018 122.001 121.223 -0.401 0.000 2.591 565 L HA 0.255 4.601 4.340 0.010 0.000 0.228 565 L C 0.591 177.236 176.870 -0.375 0.000 1.133 565 L CA -0.176 54.385 54.840 -0.467 0.000 0.880 565 L CB -0.652 40.933 42.059 -0.790 0.000 1.033 565 L HN 0.294 nan 8.230 nan 0.000 0.450 566 N N 0.310 118.836 118.700 -0.289 0.000 2.681 566 N HA -0.241 4.504 4.740 0.010 0.000 0.259 566 N C -1.015 174.592 175.510 0.161 0.000 1.066 566 N CA 0.437 53.438 53.050 -0.082 0.000 0.717 566 N CB -1.055 37.401 38.487 -0.052 0.000 0.885 566 N HN 0.124 nan 8.380 nan 0.000 0.547 567 Y N -0.314 120.018 120.300 0.053 0.000 2.488 567 Y HA 0.686 5.242 4.550 0.010 0.000 0.325 567 Y C 1.354 177.353 175.900 0.166 0.000 1.204 567 Y CA -0.989 57.171 58.100 0.100 0.000 1.229 567 Y CB 1.312 39.859 38.460 0.145 0.000 1.274 567 Y HN 0.200 nan 8.280 nan 0.000 0.493 568 T N 0.182 114.867 114.554 0.218 0.000 2.924 568 T HA 0.365 4.721 4.350 0.010 0.000 0.291 568 T C -0.978 173.464 174.700 -0.430 0.000 1.045 568 T CA -0.501 61.582 62.100 -0.028 0.000 1.015 568 T CB 0.783 69.611 68.868 -0.067 0.000 1.103 568 T HN 0.807 nan 8.240 nan 0.000 0.496 569 C N 5.499 124.271 119.300 -0.880 0.000 2.499 569 C HA 0.703 5.169 4.460 0.010 0.000 0.386 569 C C -2.262 172.395 174.990 -0.556 0.000 1.293 569 C CA -1.463 56.890 59.018 -1.107 0.000 1.884 569 C CB -0.385 26.671 27.740 -1.140 0.000 2.509 569 C HN 0.678 nan 8.230 nan 0.000 0.566 570 P HA 0.424 nan 4.420 nan 0.000 0.282 570 P C -0.723 176.176 177.300 -0.667 0.000 1.259 570 P CA -0.021 62.786 63.100 -0.488 0.000 0.826 570 P CB 0.985 32.402 31.700 -0.472 0.000 1.064 571 T N -1.870 112.337 114.554 -0.578 0.000 2.912 571 T HA 0.698 5.053 4.350 0.010 0.000 0.288 571 T C -0.765 173.594 174.700 -0.569 0.000 1.030 571 T CA -0.571 61.185 62.100 -0.572 0.000 1.020 571 T CB 0.448 69.158 68.868 -0.265 0.000 1.056 571 T HN 0.015 nan 8.240 nan 0.000 0.480 572 F N 2.096 122.002 119.950 -0.073 0.000 2.411 572 F HA 0.568 5.102 4.527 0.011 0.000 0.352 572 F C 0.576 176.374 175.800 -0.003 0.000 1.123 572 F CA -1.722 56.251 58.000 -0.046 0.000 1.044 572 F CB 0.900 39.866 39.000 -0.057 0.000 1.135 572 F HN 0.674 nan 8.300 nan 0.000 0.461 573 I N -1.315 119.372 120.570 0.196 0.000 3.062 573 I HA 0.561 4.737 4.170 0.010 0.000 0.316 573 I C 0.195 176.398 176.117 0.143 0.000 1.041 573 I CA -0.681 60.697 61.300 0.130 0.000 1.069 573 I CB 1.125 39.178 38.000 0.088 0.000 1.300 573 I HN 0.290 nan 8.210 nan 0.000 0.518 574 D N 0.890 121.355 120.400 0.109 0.000 2.183 574 D HA 0.074 4.720 4.640 0.010 0.000 0.205 574 D C 0.280 176.666 176.300 0.143 0.000 0.962 574 D CA 1.361 55.426 54.000 0.109 0.000 0.849 574 D CB 0.212 41.060 40.800 0.079 0.000 0.978 574 D HN 0.444 nan 8.370 nan 0.000 0.488 575 K N 0.409 120.882 120.400 0.122 0.000 2.106 575 K HA 0.404 4.729 4.320 0.010 0.000 0.246 575 K C -2.550 174.120 176.600 0.118 0.000 0.987 575 K CA -1.924 54.434 56.287 0.117 0.000 0.904 575 K CB 0.968 33.498 32.500 0.050 0.000 1.071 575 K HN -0.186 nan 8.250 nan 0.000 0.453 576 P HA 0.073 nan 4.420 nan 0.000 0.266 576 P C -0.615 176.707 177.300 0.037 0.000 1.195 576 P CA 0.162 63.282 63.100 0.034 0.000 0.768 576 P CB 0.606 32.214 31.700 -0.154 0.000 0.838 577 G N 1.330 110.169 108.800 0.065 0.000 2.358 577 G HA2 0.431 4.397 3.960 0.010 0.000 0.301 577 G HA3 0.431 4.397 3.960 0.010 0.000 0.301 577 G C -2.002 172.938 174.900 0.065 0.000 1.539 577 G CA -0.618 44.512 45.100 0.051 0.000 0.893 577 G HN 0.388 nan 8.290 nan 0.000 0.636 578 I N 0.941 121.537 120.570 0.044 0.000 2.529 578 I HA 0.393 4.569 4.170 0.010 0.000 0.284 578 I C -0.261 175.868 176.117 0.019 0.000 1.088 578 I CA -0.724 60.598 61.300 0.036 0.000 1.062 578 I CB 2.142 40.158 38.000 0.027 0.000 1.218 578 I HN 0.336 nan 8.210 nan 0.000 0.442 579 R N 7.117 127.623 120.500 0.010 0.000 2.288 579 R HA 0.722 5.068 4.340 0.010 0.000 0.326 579 R C -0.996 175.298 176.300 -0.010 0.000 0.959 579 R CA -0.595 55.507 56.100 0.004 0.000 0.834 579 R CB 1.909 32.210 30.300 0.002 0.000 1.157 579 R HN 0.510 nan 8.270 nan 0.000 0.470 580 I N 1.818 122.388 120.570 -0.000 0.000 2.465 580 I HA 0.292 4.468 4.170 0.010 0.000 0.291 580 I C -0.207 175.919 176.117 0.015 0.000 1.014 580 I CA -0.689 60.608 61.300 -0.006 0.000 1.093 580 I CB 2.575 40.568 38.000 -0.012 0.000 1.267 580 I HN 0.439 nan 8.210 nan 0.000 0.431 581 T N 4.747 119.305 114.554 0.006 0.000 2.770 581 T HA 0.231 4.587 4.350 0.010 0.000 0.283 581 T C -0.220 174.500 174.700 0.033 0.000 0.988 581 T CA -0.398 61.715 62.100 0.021 0.000 0.957 581 T CB 0.898 69.770 68.868 0.008 0.000 0.930 581 T HN 0.538 nan 8.240 nan 0.000 0.443 582 E N 1.048 121.283 120.200 0.059 0.000 2.230 582 E HA -0.135 4.221 4.350 0.010 0.000 0.206 582 E C 0.545 177.197 176.600 0.087 0.000 1.309 582 E CA 0.654 57.102 56.400 0.081 0.000 0.697 582 E CB -1.320 28.419 29.700 0.066 0.000 1.146 582 E HN 0.922 nan 8.360 nan 0.000 0.363 583 G N 0.585 109.444 108.800 0.098 0.000 2.503 583 G HA2 0.494 4.459 3.960 0.010 0.000 0.257 583 G HA3 0.494 4.459 3.960 0.010 0.000 0.257 583 G C 0.157 175.142 174.900 0.142 0.000 1.214 583 G CA -0.508 44.633 45.100 0.069 0.000 0.839 583 G HN 0.125 nan 8.290 nan 0.000 0.559 584 R N -0.578 119.930 120.500 0.013 0.000 2.837 584 R HA 0.272 4.617 4.340 0.010 0.000 0.271 584 R C -0.896 175.225 176.300 -0.299 0.000 0.993 584 R CA -1.004 54.998 56.100 -0.163 0.000 0.931 584 R CB 1.825 31.924 30.300 -0.334 0.000 1.206 584 R HN 0.624 nan 8.270 nan 0.000 0.474 585 H N 4.659 123.335 119.070 -0.656 0.000 2.864 585 H HA 0.104 4.666 4.556 0.010 0.000 0.281 585 H C -1.650 173.455 175.328 -0.373 0.000 1.093 585 H CA -1.951 53.882 56.048 -0.359 0.000 1.453 585 H CB 1.240 30.916 29.762 -0.144 0.000 1.462 585 H HN 0.350 nan 8.280 nan 0.000 0.480 586 P HA -0.158 nan 4.420 nan 0.000 0.219 586 P C 1.320 178.637 177.300 0.029 0.000 1.146 586 P CA 0.680 63.712 63.100 -0.114 0.000 0.808 586 P CB 0.687 32.289 31.700 -0.163 0.000 0.779 587 V N -0.270 119.750 119.914 0.178 0.000 2.341 587 V HA -0.102 4.023 4.120 0.010 0.000 0.240 587 V C 2.798 178.976 176.094 0.139 0.000 1.035 587 V CA 1.051 63.467 62.300 0.193 0.000 1.033 587 V CB -1.195 30.770 31.823 0.238 0.000 0.678 587 V HN -0.118 nan 8.190 nan 0.000 0.464 588 V N 1.859 121.863 119.914 0.151 0.000 2.324 588 V HA -0.339 3.787 4.120 0.010 0.000 0.250 588 V C 2.637 178.749 176.094 0.030 0.000 1.060 588 V CA 2.593 64.876 62.300 -0.027 0.000 1.042 588 V CB -0.978 30.760 31.823 -0.142 0.000 0.650 588 V HN 0.897 nan 8.190 nan 0.000 0.450 589 E N -0.433 119.703 120.200 -0.106 0.000 2.204 589 E HA -0.255 4.101 4.350 0.010 0.000 0.195 589 E C 1.981 178.585 176.600 0.007 0.000 0.990 589 E CA 1.168 57.518 56.400 -0.084 0.000 0.821 589 E CB -0.231 29.293 29.700 -0.294 0.000 0.750 589 E HN 0.550 nan 8.360 nan 0.000 0.477 590 Q N 0.525 120.330 119.800 0.008 0.000 2.250 590 Q HA 0.039 4.385 4.340 0.010 0.000 0.200 590 Q C 2.402 178.416 176.000 0.022 0.000 0.941 590 Q CA 0.820 56.633 55.803 0.017 0.000 0.872 590 Q CB 0.203 28.953 28.738 0.019 0.000 0.965 590 Q HN 0.277 nan 8.270 nan 0.000 0.480 591 V N 1.024 120.954 119.914 0.026 0.000 2.302 591 V HA -0.075 4.051 4.120 0.010 0.000 0.243 591 V C 1.494 177.602 176.094 0.024 0.000 1.036 591 V CA 0.461 62.774 62.300 0.021 0.000 1.020 591 V CB -0.345 31.486 31.823 0.014 0.000 0.657 591 V HN 0.238 nan 8.190 nan 0.000 0.453 592 L N 1.723 122.968 121.223 0.036 0.000 2.573 592 L HA -0.077 4.269 4.340 0.010 0.000 0.290 592 L C 1.105 177.997 176.870 0.035 0.000 1.247 592 L CA 0.411 55.274 54.840 0.039 0.000 0.876 592 L CB -0.078 42.025 42.059 0.072 0.000 1.123 592 L HN 0.311 nan 8.230 nan 0.000 0.505 593 N N 1.858 120.573 118.700 0.025 0.000 2.251 593 N HA 0.049 4.795 4.740 0.010 0.000 0.217 593 N C -0.323 175.202 175.510 0.026 0.000 1.124 593 N CA 0.070 53.134 53.050 0.023 0.000 0.843 593 N CB 0.436 38.933 38.487 0.016 0.000 1.024 593 N HN 0.682 nan 8.380 nan 0.000 0.501 594 E N -0.477 119.742 120.200 0.030 0.000 2.359 594 E HA 0.574 4.929 4.350 0.010 0.000 0.266 594 E C -2.851 173.778 176.600 0.049 0.000 0.920 594 E CA -2.119 54.300 56.400 0.032 0.000 0.788 594 E CB 0.858 30.572 29.700 0.023 0.000 1.279 594 E HN -0.197 nan 8.360 nan 0.000 0.438 595 P HA 0.021 nan 4.420 nan 0.000 0.266 595 P C -1.328 176.027 177.300 0.092 0.000 1.195 595 P CA 0.026 63.171 63.100 0.076 0.000 0.768 595 P CB 0.129 31.861 31.700 0.055 0.000 0.838 596 F N 3.805 123.757 119.950 0.004 0.000 2.411 596 F HA 0.287 4.820 4.527 0.009 0.000 0.350 596 F C 0.153 175.967 175.800 0.025 0.000 1.114 596 F CA -0.742 57.258 58.000 -0.000 0.000 1.135 596 F CB 0.461 39.471 39.000 0.016 0.000 1.120 596 F HN 0.121 nan 8.300 nan 0.000 0.495 597 I N 6.884 127.194 120.570 -0.433 0.000 2.329 597 I HA 0.183 4.359 4.170 0.010 0.000 0.295 597 I C 0.716 176.787 176.117 -0.076 0.000 1.109 597 I CA -0.270 60.916 61.300 -0.189 0.000 1.297 597 I CB -0.537 37.366 38.000 -0.161 0.000 1.433 597 I HN 0.639 nan 8.210 nan 0.000 0.509 598 A N 7.659 130.592 122.820 0.189 0.000 2.445 598 A HA 0.393 4.719 4.320 0.010 0.000 0.242 598 A C 0.277 177.970 177.584 0.183 0.000 1.075 598 A CA -0.129 52.078 52.037 0.283 0.000 0.777 598 A CB 0.266 19.394 19.000 0.212 0.000 1.013 598 A HN 0.772 nan 8.150 nan 0.000 0.493 599 N N 0.752 119.589 118.700 0.228 0.000 2.242 599 N HA 0.566 5.312 4.740 0.010 0.000 0.292 599 N C -3.179 172.456 175.510 0.209 0.000 1.125 599 N CA -1.065 52.110 53.050 0.208 0.000 0.783 599 N CB 2.387 41.052 38.487 0.298 0.000 1.558 599 N HN 0.317 nan 8.380 nan 0.000 0.472 600 P HA 0.451 nan 4.420 nan 0.000 0.278 600 P C -0.945 176.480 177.300 0.208 0.000 1.258 600 P CA -0.559 62.623 63.100 0.137 0.000 0.811 600 P CB 1.040 32.791 31.700 0.085 0.000 1.063 601 L N 1.339 122.640 121.223 0.130 0.000 2.513 601 L HA 0.655 5.001 4.340 0.010 0.000 0.261 601 L C -1.751 175.160 176.870 0.069 0.000 0.945 601 L CA -0.422 54.495 54.840 0.128 0.000 0.848 601 L CB 2.112 44.191 42.059 0.032 0.000 1.334 601 L HN 0.254 nan 8.230 nan 0.000 0.407 602 N N 4.453 123.195 118.700 0.070 0.000 2.549 602 N HA 0.601 5.346 4.740 0.010 0.000 0.281 602 N C -2.152 173.382 175.510 0.040 0.000 1.084 602 N CA -0.201 52.876 53.050 0.044 0.000 0.862 602 N CB 0.936 39.446 38.487 0.039 0.000 1.333 602 N HN 0.656 nan 8.380 nan 0.000 0.523 603 L N 1.923 123.164 121.223 0.030 0.000 2.365 603 L HA 0.715 5.061 4.340 0.010 0.000 0.273 603 L C -0.158 176.723 176.870 0.018 0.000 1.000 603 L CA -0.581 54.274 54.840 0.025 0.000 0.819 603 L CB 1.863 43.937 42.059 0.025 0.000 1.284 603 L HN 0.684 nan 8.230 nan 0.000 0.418 604 S N 1.189 116.895 115.700 0.009 0.000 2.705 604 S HA 0.569 5.045 4.470 0.010 0.000 0.280 604 S C -2.596 171.996 174.600 -0.013 0.000 1.174 604 S CA -1.216 56.986 58.200 0.002 0.000 0.823 604 S CB 1.884 65.087 63.200 0.005 0.000 1.162 604 S HN 0.264 nan 8.310 nan 0.000 0.487 605 P HA 0.018 nan 4.420 nan 0.000 0.222 605 P C 0.752 178.035 177.300 -0.029 0.000 1.147 605 P CA 1.193 64.269 63.100 -0.040 0.000 0.790 605 P CB 0.010 31.684 31.700 -0.044 0.000 0.780 606 Q N -1.866 117.923 119.800 -0.017 0.000 2.391 606 Q HA 0.113 4.458 4.340 0.010 0.000 0.211 606 Q C 1.131 177.124 176.000 -0.011 0.000 0.908 606 Q CA 0.432 56.227 55.803 -0.014 0.000 0.920 606 Q CB 0.304 29.037 28.738 -0.008 0.000 1.056 606 Q HN 0.050 nan 8.270 nan 0.000 0.523 607 R N 1.055 121.551 120.500 -0.007 0.000 2.585 607 R HA 0.216 4.561 4.340 0.010 0.000 0.278 607 R C 0.013 176.314 176.300 0.001 0.000 1.663 607 R CA -0.041 56.058 56.100 -0.001 0.000 1.592 607 R CB 0.251 30.555 30.300 0.007 0.000 1.200 607 R HN 0.157 nan 8.270 nan 0.000 0.611 608 R N 1.580 122.076 120.500 -0.007 0.000 2.308 608 R HA 0.242 4.588 4.340 0.010 0.000 0.202 608 R C 0.536 176.838 176.300 0.003 0.000 0.898 608 R CA -0.044 56.052 56.100 -0.007 0.000 1.046 608 R CB 0.539 30.824 30.300 -0.025 0.000 1.026 608 R HN 0.220 nan 8.270 nan 0.000 0.512 609 M N 1.879 121.482 119.600 0.005 0.000 2.204 609 M HA 0.400 4.886 4.480 0.010 0.000 0.293 609 M C -1.881 174.436 176.300 0.028 0.000 0.994 609 M CA -0.752 54.561 55.300 0.022 0.000 0.925 609 M CB 1.961 34.568 32.600 0.011 0.000 1.577 609 M HN 0.014 nan 8.290 nan 0.000 0.439 610 L N 6.040 127.298 121.223 0.059 0.000 2.287 610 L HA 0.518 4.863 4.340 0.010 0.000 0.287 610 L C -0.552 176.354 176.870 0.060 0.000 1.022 610 L CA -0.991 53.883 54.840 0.056 0.000 0.814 610 L CB 1.494 43.609 42.059 0.092 0.000 1.217 610 L HN 0.616 nan 8.230 nan 0.000 0.420 611 I N 4.982 125.542 120.570 -0.017 0.000 2.337 611 I HA 0.259 4.434 4.170 0.010 0.000 0.291 611 I C 0.271 176.346 176.117 -0.071 0.000 1.046 611 I CA -0.096 61.147 61.300 -0.096 0.000 1.324 611 I CB 0.899 38.772 38.000 -0.211 0.000 1.409 611 I HN 0.460 nan 8.210 nan 0.000 0.494 612 I N 6.845 127.389 120.570 -0.043 0.000 2.328 612 I HA 0.251 4.427 4.170 0.010 0.000 0.287 612 I C 0.709 176.782 176.117 -0.072 0.000 1.012 612 I CA -0.302 60.985 61.300 -0.021 0.000 1.195 612 I CB 1.274 39.304 38.000 0.051 0.000 1.350 612 I HN 0.586 nan 8.210 nan 0.000 0.464 613 T N 2.046 116.567 114.554 -0.054 0.000 2.919 613 T HA 0.958 5.314 4.350 0.010 0.000 0.282 613 T C 0.140 174.901 174.700 0.102 0.000 1.020 613 T CA -0.732 61.341 62.100 -0.045 0.000 0.994 613 T CB 2.176 70.933 68.868 -0.185 0.000 1.180 613 T HN 1.001 nan 8.240 nan 0.000 0.566 614 G N 0.280 109.208 108.800 0.214 0.000 2.357 614 G HA2 0.357 4.323 3.960 0.010 0.000 0.643 614 G HA3 0.357 4.323 3.960 0.010 0.000 0.643 614 G C -3.482 171.632 174.900 0.356 0.000 1.358 614 G CA -0.941 44.337 45.100 0.296 0.000 0.986 614 G HN 0.768 nan 8.290 nan 0.000 0.620 615 P HA 0.211 nan 4.420 nan 0.000 0.274 615 P C 0.035 177.559 177.300 0.373 0.000 1.260 615 P CA -0.692 62.643 63.100 0.392 0.000 0.793 615 P CB 0.455 32.310 31.700 0.258 0.000 1.048 616 N N 1.119 120.018 118.700 0.332 0.000 2.454 616 N HA 0.018 4.764 4.740 0.010 0.000 0.254 616 N C 0.842 176.352 175.510 -0.001 0.000 1.228 616 N CA 0.684 53.852 53.050 0.197 0.000 0.900 616 N CB -0.075 38.450 38.487 0.064 0.000 1.089 616 N HN 0.533 nan 8.380 nan 0.000 0.449 617 M N -0.780 118.750 119.600 -0.117 0.000 2.943 617 M HA -0.209 4.277 4.480 0.010 0.000 0.198 617 M C 1.153 177.132 176.300 -0.535 0.000 0.606 617 M CA 0.963 56.025 55.300 -0.397 0.000 0.744 617 M CB -1.870 30.329 32.600 -0.670 0.000 2.671 617 M HN 0.699 nan 8.290 nan 0.000 0.342 618 G N -0.326 108.371 108.800 -0.172 0.000 2.464 618 G HA2 0.334 4.300 3.960 0.010 0.000 0.217 618 G HA3 0.334 4.300 3.960 0.010 0.000 0.217 618 G C 1.240 176.154 174.900 0.022 0.000 1.138 618 G CA 0.968 46.053 45.100 -0.025 0.000 0.793 618 G HN 1.181 nan 8.290 nan 0.000 0.539 619 G N -0.491 108.345 108.800 0.060 0.000 2.183 619 G HA2 -0.180 3.786 3.960 0.010 0.000 0.168 619 G HA3 -0.180 3.786 3.960 0.010 0.000 0.168 619 G C 0.984 175.954 174.900 0.118 0.000 1.008 619 G CA 0.558 45.732 45.100 0.123 0.000 0.677 619 G HN 0.453 nan 8.290 nan 0.000 0.498 620 K N 0.709 121.161 120.400 0.088 0.000 2.032 620 K HA -0.076 4.250 4.320 0.010 0.000 0.209 620 K C 2.727 179.428 176.600 0.169 0.000 1.048 620 K CA 1.840 58.195 56.287 0.113 0.000 0.927 620 K CB -0.237 32.297 32.500 0.056 0.000 0.712 620 K HN 0.339 nan 8.250 nan 0.000 0.441 621 S N 0.094 115.868 115.700 0.123 0.000 2.355 621 S HA -0.137 4.339 4.470 0.010 0.000 0.222 621 S C 1.935 176.623 174.600 0.147 0.000 1.031 621 S CA 1.861 60.133 58.200 0.119 0.000 0.993 621 S CB -0.397 62.852 63.200 0.082 0.000 0.859 621 S HN 0.281 nan 8.310 nan 0.000 0.453 622 T N 0.639 115.281 114.554 0.146 0.000 2.720 622 T HA -0.123 4.233 4.350 0.010 0.000 0.268 622 T C 1.472 176.353 174.700 0.301 0.000 1.037 622 T CA 1.697 63.909 62.100 0.187 0.000 1.144 622 T CB -0.654 68.301 68.868 0.144 0.000 0.864 622 T HN 0.601 nan 8.240 nan 0.000 0.444 623 Y N 1.374 121.764 120.300 0.149 0.000 2.165 623 Y HA -0.093 4.463 4.550 0.010 0.000 0.286 623 Y C 2.287 178.259 175.900 0.120 0.000 1.155 623 Y CA 1.234 59.418 58.100 0.140 0.000 1.164 623 Y CB -0.382 38.135 38.460 0.094 0.000 0.978 623 Y HN 0.154 nan 8.280 nan 0.000 0.513 624 M N -0.856 118.828 119.600 0.140 0.000 2.200 624 M HA -0.160 4.326 4.480 0.010 0.000 0.265 624 M C 2.213 178.525 176.300 0.021 0.000 1.066 624 M CA 1.538 56.861 55.300 0.039 0.000 1.127 624 M CB -0.221 32.442 32.600 0.105 0.000 1.379 624 M HN 0.154 nan 8.290 nan 0.000 0.420 625 R N 0.583 121.141 120.500 0.097 0.000 2.066 625 R HA -0.169 4.177 4.340 0.010 0.000 0.232 625 R C 2.321 178.631 176.300 0.017 0.000 1.131 625 R CA 1.723 57.887 56.100 0.106 0.000 0.955 625 R CB -0.480 29.966 30.300 0.244 0.000 0.851 625 R HN 0.547 nan 8.270 nan 0.000 0.432 626 Q N 0.011 119.847 119.800 0.061 0.000 2.170 626 Q HA -0.111 4.235 4.340 0.010 0.000 0.203 626 Q C 1.328 177.240 176.000 -0.147 0.000 0.976 626 Q CA 1.811 57.550 55.803 -0.106 0.000 0.858 626 Q CB -0.325 28.431 28.738 0.031 0.000 0.907 626 Q HN 0.123 nan 8.270 nan 0.000 0.433 627 T N 1.315 115.777 114.554 -0.154 0.000 2.708 627 T HA -0.097 4.259 4.350 0.010 0.000 0.266 627 T C 1.998 176.641 174.700 -0.095 0.000 1.037 627 T CA 1.605 63.608 62.100 -0.161 0.000 1.146 627 T CB -0.361 68.384 68.868 -0.206 0.000 0.865 627 T HN 0.549 nan 8.240 nan 0.000 0.435 628 A N 0.915 123.691 122.820 -0.073 0.000 1.929 628 A HA 0.108 4.434 4.320 0.010 0.000 0.216 628 A C 2.312 179.859 177.584 -0.062 0.000 1.176 628 A CA 0.957 52.967 52.037 -0.045 0.000 0.628 628 A CB -0.763 18.221 19.000 -0.027 0.000 0.816 628 A HN 0.451 nan 8.150 nan 0.000 0.444 629 L N -0.597 120.558 121.223 -0.113 0.000 2.046 629 L HA -0.181 4.165 4.340 0.010 0.000 0.208 629 L C 2.473 179.264 176.870 -0.132 0.000 1.077 629 L CA 1.283 56.033 54.840 -0.150 0.000 0.747 629 L CB -0.477 41.414 42.059 -0.279 0.000 0.896 629 L HN 0.373 nan 8.230 nan 0.000 0.432 630 I N -0.347 120.138 120.570 -0.141 0.000 2.226 630 I HA -0.294 3.882 4.170 0.010 0.000 0.245 630 I C 2.773 178.863 176.117 -0.046 0.000 1.100 630 I CA 1.143 62.367 61.300 -0.126 0.000 1.374 630 I CB -0.379 37.542 38.000 -0.130 0.000 1.057 630 I HN 0.213 nan 8.210 nan 0.000 0.413 631 A N 0.760 123.583 122.820 0.004 0.000 1.858 631 A HA -0.228 4.098 4.320 0.010 0.000 0.216 631 A C 2.366 180.055 177.584 0.176 0.000 1.190 631 A CA 1.578 53.688 52.037 0.121 0.000 0.617 631 A CB -0.963 18.099 19.000 0.103 0.000 0.827 631 A HN 0.450 nan 8.150 nan 0.000 0.443 632 L N -0.923 120.346 121.223 0.076 0.000 2.013 632 L HA -0.260 4.086 4.340 0.010 0.000 0.212 632 L C 2.719 179.641 176.870 0.086 0.000 1.073 632 L CA 2.219 57.102 54.840 0.073 0.000 0.753 632 L CB -0.240 41.819 42.059 0.001 0.000 0.890 632 L HN 0.466 nan 8.230 nan 0.000 0.432 633 M N -0.846 118.768 119.600 0.024 0.000 2.117 633 M HA -0.190 4.296 4.480 0.010 0.000 0.262 633 M C 2.410 178.736 176.300 0.043 0.000 1.065 633 M CA 1.728 57.038 55.300 0.018 0.000 1.114 633 M CB -0.539 32.020 32.600 -0.068 0.000 1.361 633 M HN 0.461 nan 8.290 nan 0.000 0.408 634 A N -0.525 122.304 122.820 0.015 0.000 1.940 634 A HA -0.195 4.131 4.320 0.010 0.000 0.219 634 A C 1.536 179.096 177.584 -0.040 0.000 1.176 634 A CA 1.559 53.579 52.037 -0.028 0.000 0.631 634 A CB -0.994 17.952 19.000 -0.089 0.000 0.814 634 A HN 0.555 nan 8.150 nan 0.000 0.446 635 Y N -0.394 119.969 120.300 0.105 0.000 2.462 635 Y HA 0.235 4.791 4.550 0.011 0.000 0.293 635 Y C 1.541 177.432 175.900 -0.016 0.000 1.195 635 Y CA 0.399 58.517 58.100 0.029 0.000 1.276 635 Y CB -0.055 38.392 38.460 -0.022 0.000 1.082 635 Y HN 0.533 nan 8.280 nan 0.000 0.514 636 I N -4.642 115.991 120.570 0.106 0.000 4.025 636 I HA 0.518 4.694 4.170 0.010 0.000 0.336 636 I C 1.430 177.584 176.117 0.061 0.000 1.390 636 I CA 0.526 61.863 61.300 0.061 0.000 1.099 636 I CB 0.342 38.451 38.000 0.183 0.000 1.049 636 I HN 0.062 nan 8.210 nan 0.000 0.394 637 G N 1.484 110.335 108.800 0.086 0.000 2.176 637 G HA2 -0.310 3.656 3.960 0.010 0.000 0.253 637 G HA3 -0.310 3.656 3.960 0.010 0.000 0.253 637 G C 0.381 175.406 174.900 0.210 0.000 0.979 637 G CA 0.357 45.537 45.100 0.135 0.000 0.641 637 G HN 0.648 nan 8.290 nan 0.000 0.530 638 S N -0.673 115.150 115.700 0.205 0.000 2.614 638 S HA 0.649 5.125 4.470 0.010 0.000 0.265 638 S C 0.668 175.459 174.600 0.319 0.000 1.303 638 S CA -0.565 57.780 58.200 0.242 0.000 1.000 638 S CB 0.444 63.759 63.200 0.191 0.000 0.935 638 S HN 0.290 nan 8.310 nan 0.000 0.551 639 Y N 0.889 121.241 120.300 0.085 0.000 2.281 639 Y HA 0.421 4.976 4.550 0.009 0.000 0.337 639 Y C 0.742 176.594 175.900 -0.080 0.000 1.304 639 Y CA -1.040 57.090 58.100 0.050 0.000 1.465 639 Y CB 0.443 38.996 38.460 0.154 0.000 1.350 639 Y HN 0.527 nan 8.280 nan 0.000 0.575 640 V N -0.720 119.158 119.914 -0.060 0.000 2.914 640 V HA 0.585 4.711 4.120 0.010 0.000 0.314 640 V C -2.780 173.030 176.094 -0.474 0.000 1.084 640 V CA -2.911 59.173 62.300 -0.360 0.000 0.963 640 V CB 2.073 33.758 31.823 -0.231 0.000 1.025 640 V HN 0.590 nan 8.190 nan 0.000 0.432 641 P HA 0.479 nan 4.420 nan 0.000 0.237 641 P C -0.281 176.941 177.300 -0.130 0.000 1.788 641 P CA 0.511 63.397 63.100 -0.357 0.000 1.061 641 P CB 0.224 31.698 31.700 -0.376 0.000 1.967 642 A N 1.718 124.501 122.820 -0.061 0.000 2.588 642 A HA 0.373 4.699 4.320 0.010 0.000 0.290 642 A C 0.862 178.447 177.584 0.001 0.000 1.136 642 A CA -0.459 51.562 52.037 -0.025 0.000 0.681 642 A CB 0.893 19.860 19.000 -0.054 0.000 1.282 642 A HN 0.209 nan 8.150 nan 0.000 0.421 643 Q N -0.202 119.602 119.800 0.005 0.000 2.331 643 Q HA 0.171 4.516 4.340 0.010 0.000 0.203 643 Q C 0.236 176.222 176.000 -0.024 0.000 0.944 643 Q CA 1.309 57.114 55.803 0.004 0.000 0.892 643 Q CB 0.082 28.829 28.738 0.015 0.000 0.983 643 Q HN 0.533 nan 8.270 nan 0.000 0.482 644 K N -0.652 119.724 120.400 -0.040 0.000 2.600 644 K HA 0.355 4.680 4.320 0.010 0.000 0.262 644 K C -2.148 174.405 176.600 -0.078 0.000 0.935 644 K CA -0.542 55.705 56.287 -0.067 0.000 0.866 644 K CB 2.052 34.523 32.500 -0.050 0.000 1.354 644 K HN -0.063 nan 8.250 nan 0.000 0.419 645 V N 2.954 122.797 119.914 -0.117 0.000 2.668 645 V HA 0.379 4.505 4.120 0.010 0.000 0.304 645 V C -1.154 174.855 176.094 -0.143 0.000 1.071 645 V CA -0.731 61.499 62.300 -0.117 0.000 0.894 645 V CB 1.934 33.676 31.823 -0.135 0.000 1.008 645 V HN 0.783 nan 8.190 nan 0.000 0.425 646 E N 4.173 124.318 120.200 -0.092 0.000 2.176 646 E HA 0.671 5.027 4.350 0.010 0.000 0.267 646 E C -1.189 175.397 176.600 -0.022 0.000 0.893 646 E CA -0.545 55.806 56.400 -0.080 0.000 0.761 646 E CB 3.080 32.754 29.700 -0.043 0.000 1.133 646 E HN 0.586 nan 8.360 nan 0.000 0.409 647 I N 1.954 122.533 120.570 0.016 0.000 2.569 647 I HA 0.453 4.629 4.170 0.010 0.000 0.290 647 I C 0.087 176.353 176.117 0.247 0.000 1.088 647 I CA -0.456 60.923 61.300 0.132 0.000 1.047 647 I CB 1.428 39.525 38.000 0.161 0.000 1.237 647 I HN 0.640 nan 8.210 nan 0.000 0.421 648 G N 6.258 115.192 108.800 0.224 0.000 2.535 648 G HA2 0.495 4.461 3.960 0.010 0.000 0.282 648 G HA3 0.495 4.461 3.960 0.010 0.000 0.282 648 G C -2.855 172.236 174.900 0.317 0.000 1.350 648 G CA -1.139 44.109 45.100 0.247 0.000 1.039 648 G HN 0.391 nan 8.290 nan 0.000 0.509 649 P HA 0.293 nan 4.420 nan 0.000 0.275 649 P C -0.560 176.787 177.300 0.079 0.000 1.227 649 P CA -0.106 63.064 63.100 0.116 0.000 0.781 649 P CB 1.023 32.708 31.700 -0.026 0.000 0.906 650 I N 3.375 123.826 120.570 -0.199 0.000 2.410 650 I HA 0.136 4.312 4.170 0.010 0.000 0.286 650 I C 1.008 176.994 176.117 -0.219 0.000 1.009 650 I CA -0.499 60.712 61.300 -0.149 0.000 1.111 650 I CB 1.783 39.650 38.000 -0.222 0.000 1.262 650 I HN 0.431 nan 8.210 nan 0.000 0.443 651 D N 5.585 125.939 120.400 -0.078 0.000 2.249 651 D HA -0.044 4.602 4.640 0.010 0.000 0.205 651 D C 0.740 176.969 176.300 -0.119 0.000 0.962 651 D CA 0.620 54.556 54.000 -0.108 0.000 0.860 651 D CB 0.879 41.660 40.800 -0.031 0.000 0.955 651 D HN 0.578 nan 8.370 nan 0.000 0.505 652 R N -0.712 119.727 120.500 -0.100 0.000 2.644 652 R HA 0.469 4.815 4.340 0.010 0.000 0.257 652 R C -1.821 174.364 176.300 -0.192 0.000 1.082 652 R CA -0.600 55.378 56.100 -0.203 0.000 0.927 652 R CB 1.173 31.310 30.300 -0.272 0.000 1.258 652 R HN -0.058 nan 8.270 nan 0.000 0.459 653 I N 4.386 124.793 120.570 -0.272 0.000 2.362 653 I HA 0.387 4.563 4.170 0.010 0.000 0.289 653 I C -0.873 175.090 176.117 -0.256 0.000 0.994 653 I CA -0.613 60.593 61.300 -0.156 0.000 1.158 653 I CB 1.256 39.203 38.000 -0.087 0.000 1.315 653 I HN 0.400 nan 8.210 nan 0.000 0.451 654 F N 3.288 123.226 119.950 -0.021 0.000 2.458 654 F HA 0.539 5.070 4.527 0.007 0.000 0.330 654 F C 0.480 176.265 175.800 -0.025 0.000 1.082 654 F CA -0.413 57.574 58.000 -0.023 0.000 0.995 654 F CB 2.191 41.173 39.000 -0.030 0.000 1.170 654 F HN 0.242 nan 8.300 nan 0.000 0.478 655 T N 2.201 116.862 114.554 0.177 0.000 2.881 655 T HA 0.522 4.877 4.350 0.010 0.000 0.290 655 T C -1.144 173.602 174.700 0.076 0.000 1.000 655 T CA -0.791 61.365 62.100 0.094 0.000 0.978 655 T CB 1.586 70.489 68.868 0.059 0.000 0.997 655 T HN 0.520 nan 8.240 nan 0.000 0.443 656 R N 2.722 123.242 120.500 0.035 0.000 2.576 656 R HA 0.662 5.007 4.340 0.010 0.000 0.283 656 R C -1.070 175.237 176.300 0.013 0.000 1.493 656 R CA -0.479 55.630 56.100 0.015 0.000 1.170 656 R CB 0.254 30.539 30.300 -0.026 0.000 1.189 656 R HN 0.575 nan 8.270 nan 0.000 0.542 671 M N 2.191 121.271 119.600 -0.867 0.000 2.260 671 M HA -0.036 4.450 4.480 0.010 0.000 0.261 671 M C 1.360 177.395 176.300 -0.442 0.000 1.066 671 M CA 2.731 57.617 55.300 -0.691 0.000 1.082 671 M CB -0.669 31.379 32.600 -0.920 0.000 1.388 671 M HN 0.501 nan 8.290 nan 0.000 0.419 672 V N -2.851 116.817 119.914 -0.410 0.000 2.302 672 V HA -0.125 4.000 4.120 0.010 0.000 0.243 672 V C 2.162 178.247 176.094 -0.014 0.000 1.036 672 V CA 1.875 64.109 62.300 -0.110 0.000 1.020 672 V CB -1.378 30.488 31.823 0.072 0.000 0.657 672 V HN 0.556 nan 8.190 nan 0.000 0.453 673 E N 0.153 120.380 120.200 0.044 0.000 2.048 673 E HA -0.282 4.074 4.350 0.010 0.000 0.202 673 E C 2.260 178.866 176.600 0.010 0.000 1.021 673 E CA 2.520 58.948 56.400 0.047 0.000 0.825 673 E CB -0.218 29.531 29.700 0.083 0.000 0.756 673 E HN 0.526 nan 8.360 nan 0.000 0.454 674 M N 0.154 119.750 119.600 -0.007 0.000 2.149 674 M HA -0.108 4.377 4.480 0.010 0.000 0.261 674 M C 2.302 178.586 176.300 -0.027 0.000 1.064 674 M CA 1.434 56.724 55.300 -0.017 0.000 1.102 674 M CB -1.405 31.180 32.600 -0.024 0.000 1.369 674 M HN 0.072 nan 8.290 nan 0.000 0.408 675 T N 0.205 114.734 114.554 -0.041 0.000 2.857 675 T HA -0.079 4.276 4.350 0.010 0.000 0.266 675 T C 1.791 176.491 174.700 0.001 0.000 1.048 675 T CA 1.101 63.185 62.100 -0.025 0.000 1.139 675 T CB -0.046 68.792 68.868 -0.050 0.000 0.874 675 T HN 0.466 nan 8.240 nan 0.000 0.455 676 E N 0.687 120.888 120.200 0.001 0.000 2.077 676 E HA -0.099 4.257 4.350 0.010 0.000 0.193 676 E C 2.397 178.992 176.600 -0.008 0.000 0.989 676 E CA 1.274 57.685 56.400 0.018 0.000 0.800 676 E CB -0.201 29.515 29.700 0.028 0.000 0.746 676 E HN 0.356 nan 8.360 nan 0.000 0.452 677 T N 0.990 115.525 114.554 -0.032 0.000 2.708 677 T HA -0.177 4.179 4.350 0.010 0.000 0.266 677 T C 2.022 176.657 174.700 -0.107 0.000 1.037 677 T CA 1.308 63.362 62.100 -0.077 0.000 1.146 677 T CB -0.267 68.562 68.868 -0.065 0.000 0.865 677 T HN 0.258 nan 8.240 nan 0.000 0.435 678 A N 1.841 124.620 122.820 -0.068 0.000 1.940 678 A HA -0.207 4.119 4.320 0.010 0.000 0.219 678 A C 2.130 179.695 177.584 -0.032 0.000 1.176 678 A CA 2.231 54.218 52.037 -0.083 0.000 0.631 678 A CB -0.949 18.078 19.000 0.046 0.000 0.814 678 A HN 0.562 nan 8.150 nan 0.000 0.446 679 N N 0.149 118.871 118.700 0.038 0.000 2.120 679 N HA -0.126 4.620 4.740 0.010 0.000 0.188 679 N C 1.501 176.981 175.510 -0.051 0.000 1.024 679 N CA 1.929 55.030 53.050 0.085 0.000 0.852 679 N CB -0.405 38.150 38.487 0.112 0.000 1.003 679 N HN 0.538 nan 8.380 nan 0.000 0.424 680 I N 0.292 120.717 120.570 -0.241 0.000 2.118 680 I HA -0.304 3.872 4.170 0.010 0.000 0.241 680 I C 1.980 177.805 176.117 -0.486 0.000 1.070 680 I CA 1.100 61.995 61.300 -0.675 0.000 1.327 680 I CB -0.464 37.202 38.000 -0.557 0.000 1.034 680 I HN 0.222 nan 8.210 nan 0.000 0.405 681 L N -0.295 120.723 121.223 -0.341 0.000 2.191 681 L HA -0.204 4.141 4.340 0.010 0.000 0.212 681 L C 2.553 179.237 176.870 -0.310 0.000 1.103 681 L CA 1.048 55.687 54.840 -0.336 0.000 0.769 681 L CB -0.833 41.005 42.059 -0.369 0.000 0.908 681 L HN 0.397 nan 8.230 nan 0.000 0.438 682 H N -0.518 118.491 119.070 -0.101 0.000 2.497 682 H HA 0.090 4.653 4.556 0.011 0.000 0.282 682 H C 1.375 176.688 175.328 -0.026 0.000 1.003 682 H CA 0.808 56.827 56.048 -0.048 0.000 1.307 682 H CB 0.374 30.122 29.762 -0.023 0.000 1.437 682 H HN 0.420 nan 8.280 nan 0.000 0.544 683 N N 0.124 118.861 118.700 0.061 0.000 2.317 683 N HA 0.110 4.855 4.740 0.010 0.000 0.199 683 N C 0.688 176.280 175.510 0.138 0.000 1.145 683 N CA 0.100 53.231 53.050 0.136 0.000 0.882 683 N CB 1.026 39.676 38.487 0.272 0.000 1.113 683 N HN 0.036 nan 8.380 nan 0.000 0.486 684 A N 1.564 124.306 122.820 -0.130 0.000 2.483 684 A HA 0.417 4.743 4.320 0.010 0.000 0.238 684 A C 0.877 178.479 177.584 0.029 0.000 1.070 684 A CA 0.281 52.272 52.037 -0.077 0.000 0.770 684 A CB 0.079 18.826 19.000 -0.422 0.000 1.008 684 A HN 0.294 nan 8.150 nan 0.000 0.497 685 T N -1.570 113.046 114.554 0.103 0.000 2.773 685 T HA 0.496 4.852 4.350 0.010 0.000 0.278 685 T C 0.895 175.617 174.700 0.036 0.000 1.011 685 T CA 0.094 62.240 62.100 0.078 0.000 1.014 685 T CB 1.094 70.052 68.868 0.150 0.000 1.293 685 T HN 0.709 nan 8.240 nan 0.000 0.554 686 E N 0.064 120.243 120.200 -0.035 0.000 2.338 686 E HA -0.164 4.192 4.350 0.010 0.000 0.197 686 E C 0.537 176.995 176.600 -0.237 0.000 1.007 686 E CA 1.270 57.571 56.400 -0.166 0.000 0.849 686 E CB -0.481 29.059 29.700 -0.267 0.000 0.774 686 E HN 0.813 nan 8.360 nan 0.000 0.506 687 Y N 1.381 121.691 120.300 0.016 0.000 2.466 687 Y HA 0.218 4.773 4.550 0.009 0.000 0.272 687 Y C 0.844 176.753 175.900 0.015 0.000 1.169 687 Y CA -0.064 58.040 58.100 0.007 0.000 1.285 687 Y CB 0.509 38.962 38.460 -0.012 0.000 1.078 687 Y HN -0.126 nan 8.280 nan 0.000 0.523 688 S N 1.055 116.849 115.700 0.157 0.000 2.586 688 S HA 0.357 4.833 4.470 0.010 0.000 0.274 688 S C -0.753 173.925 174.600 0.129 0.000 1.281 688 S CA -0.597 57.710 58.200 0.179 0.000 1.035 688 S CB 1.357 64.740 63.200 0.306 0.000 0.962 688 S HN 0.161 nan 8.310 nan 0.000 0.512 689 L N 3.966 125.266 121.223 0.128 0.000 2.272 689 L HA 0.581 4.927 4.340 0.010 0.000 0.289 689 L C -1.132 175.826 176.870 0.146 0.000 1.032 689 L CA -0.226 54.671 54.840 0.094 0.000 0.810 689 L CB 0.895 42.985 42.059 0.051 0.000 1.205 689 L HN 0.423 nan 8.230 nan 0.000 0.422 690 V N 6.705 126.680 119.914 0.101 0.000 2.448 690 V HA 0.477 4.603 4.120 0.010 0.000 0.295 690 V C -0.181 175.934 176.094 0.036 0.000 1.025 690 V CA -0.553 61.799 62.300 0.087 0.000 0.859 690 V CB 1.563 33.376 31.823 -0.016 0.000 0.988 690 V HN 0.586 nan 8.190 nan 0.000 0.431 691 L N 5.959 127.207 121.223 0.042 0.000 2.333 691 L HA 0.729 5.075 4.340 0.010 0.000 0.280 691 L C -0.476 176.385 176.870 -0.015 0.000 1.004 691 L CA -0.291 54.563 54.840 0.024 0.000 0.820 691 L CB 1.728 43.812 42.059 0.042 0.000 1.247 691 L HN 0.525 nan 8.230 nan 0.000 0.416 692 M N 3.310 122.879 119.600 -0.052 0.000 2.484 692 M HA 0.472 4.958 4.480 0.010 0.000 0.289 692 M C -1.212 175.078 176.300 -0.017 0.000 1.206 692 M CA -0.485 54.725 55.300 -0.150 0.000 0.892 692 M CB 2.832 35.126 32.600 -0.510 0.000 1.712 692 M HN 0.486 nan 8.290 nan 0.000 0.462 693 N N 0.401 119.118 118.700 0.029 0.000 2.494 693 N HA 0.324 5.069 4.740 0.010 0.000 0.270 693 N C -0.840 174.773 175.510 0.171 0.000 1.285 693 N CA 0.034 53.175 53.050 0.152 0.000 0.812 693 N CB 1.758 40.310 38.487 0.107 0.000 1.557 693 N HN 0.694 nan 8.380 nan 0.000 0.487 694 E N -0.011 120.317 120.200 0.214 0.000 2.885 694 E HA -0.245 4.110 4.350 0.010 0.000 0.267 694 E C -0.113 176.606 176.600 0.199 0.000 1.100 694 E CA 0.741 57.245 56.400 0.172 0.000 0.779 694 E CB -1.492 28.284 29.700 0.126 0.000 1.383 694 E HN 0.537 nan 8.360 nan 0.000 0.443 695 I N 0.649 121.367 120.570 0.246 0.000 2.692 695 I HA 0.144 4.320 4.170 0.010 0.000 0.284 695 I C 1.373 177.697 176.117 0.344 0.000 1.159 695 I CA 1.499 62.928 61.300 0.215 0.000 1.423 695 I CB 0.700 38.756 38.000 0.094 0.000 1.380 695 I HN 0.281 nan 8.210 nan 0.000 0.580 696 G N 4.501 113.462 108.800 0.268 0.000 2.798 696 G HA2 -0.134 3.832 3.960 0.010 0.000 0.167 696 G HA3 -0.134 3.832 3.960 0.010 0.000 0.167 696 G C -0.314 174.752 174.900 0.277 0.000 1.082 696 G CA -0.871 44.407 45.100 0.298 0.000 0.905 696 G HN 0.489 nan 8.290 nan 0.000 0.514 697 R N 0.922 121.538 120.500 0.192 0.000 3.436 697 R HA 0.541 4.887 4.340 0.010 0.000 0.247 697 R C 1.350 177.730 176.300 0.133 0.000 1.434 697 R CA 0.436 56.633 56.100 0.161 0.000 1.543 697 R CB 0.268 30.651 30.300 0.139 0.000 1.289 697 R HN 0.599 nan 8.270 nan 0.000 0.664 698 G N -0.874 108.001 108.800 0.125 0.000 2.489 698 G HA2 0.043 4.009 3.960 0.010 0.000 0.271 698 G HA3 0.043 4.009 3.960 0.010 0.000 0.271 698 G C 0.691 175.640 174.900 0.081 0.000 1.427 698 G CA 0.208 45.365 45.100 0.096 0.000 1.057 698 G HN 0.432 nan 8.290 nan 0.000 0.532 699 T N -3.874 110.719 114.554 0.064 0.000 3.040 699 T HA 0.364 4.720 4.350 0.010 0.000 0.250 699 T C 0.948 175.669 174.700 0.035 0.000 1.058 699 T CA 0.711 62.841 62.100 0.050 0.000 0.988 699 T CB 0.196 69.093 68.868 0.047 0.000 0.993 699 T HN 0.454 nan 8.240 nan 0.000 0.519 700 S N -0.575 115.145 115.700 0.032 0.000 2.851 700 S HA 0.474 4.950 4.470 0.010 0.000 0.317 700 S C 1.162 175.746 174.600 -0.027 0.000 1.144 700 S CA -0.202 58.004 58.200 0.010 0.000 0.862 700 S CB 1.162 64.376 63.200 0.024 0.000 1.259 700 S HN 0.170 nan 8.310 nan 0.000 0.564 701 T N 1.030 115.524 114.554 -0.101 0.000 2.788 701 T HA -0.025 4.331 4.350 0.010 0.000 0.268 701 T C 0.527 174.986 174.700 -0.402 0.000 1.044 701 T CA 1.739 63.651 62.100 -0.312 0.000 1.139 701 T CB -0.348 68.194 68.868 -0.545 0.000 0.867 701 T HN 0.601 nan 8.240 nan 0.000 0.454 702 Y N 0.514 120.823 120.300 0.015 0.000 2.471 702 Y HA 0.177 4.733 4.550 0.009 0.000 0.249 702 Y C 1.885 177.764 175.900 -0.036 0.000 1.116 702 Y CA -0.961 57.121 58.100 -0.030 0.000 1.240 702 Y CB 0.197 38.627 38.460 -0.050 0.000 1.251 702 Y HN 0.221 nan 8.280 nan 0.000 0.527 703 D N -0.719 119.747 120.400 0.111 0.000 2.097 703 D HA -0.113 4.532 4.640 0.010 0.000 0.197 703 D C 2.303 178.647 176.300 0.072 0.000 0.984 703 D CA 1.465 55.511 54.000 0.078 0.000 0.826 703 D CB -0.951 39.887 40.800 0.063 0.000 0.973 703 D HN 0.274 nan 8.370 nan 0.000 0.460 704 G N 1.392 110.243 108.800 0.085 0.000 2.514 704 G HA2 -0.269 3.697 3.960 0.010 0.000 0.217 704 G HA3 -0.269 3.697 3.960 0.010 0.000 0.217 704 G C 1.659 176.599 174.900 0.067 0.000 1.198 704 G CA 1.442 46.610 45.100 0.113 0.000 0.780 704 G HN 0.363 nan 8.290 nan 0.000 0.565 705 L N 1.091 122.260 121.223 -0.090 0.000 2.081 705 L HA -0.071 4.275 4.340 0.010 0.000 0.212 705 L C 2.780 179.627 176.870 -0.039 0.000 1.080 705 L CA 2.675 57.303 54.840 -0.352 0.000 0.754 705 L CB -0.694 40.983 42.059 -0.637 0.000 0.893 705 L HN 0.171 nan 8.230 nan 0.000 0.433 706 S N -0.382 115.327 115.700 0.015 0.000 2.368 706 S HA -0.129 4.347 4.470 0.010 0.000 0.225 706 S C 1.917 176.577 174.600 0.101 0.000 1.030 706 S CA 1.701 59.920 58.200 0.032 0.000 0.999 706 S CB -0.471 62.726 63.200 -0.005 0.000 0.844 706 S HN 0.498 nan 8.310 nan 0.000 0.459 707 L N 1.012 122.290 121.223 0.092 0.000 2.056 707 L HA -0.113 4.233 4.340 0.010 0.000 0.207 707 L C 2.782 179.738 176.870 0.143 0.000 1.078 707 L CA 1.122 56.022 54.840 0.101 0.000 0.749 707 L CB -0.669 41.437 42.059 0.078 0.000 0.901 707 L HN 0.321 nan 8.230 nan 0.000 0.433 708 A N -0.324 122.604 122.820 0.179 0.000 1.883 708 A HA -0.286 4.040 4.320 0.010 0.000 0.217 708 A C 2.157 179.914 177.584 0.290 0.000 1.186 708 A CA 1.664 53.861 52.037 0.268 0.000 0.624 708 A CB -1.119 18.097 19.000 0.359 0.000 0.822 708 A HN 0.675 nan 8.150 nan 0.000 0.444 709 W N 0.710 122.046 121.300 0.059 0.000 2.335 709 W HA -0.192 4.474 4.660 0.009 0.000 0.311 709 W C 2.359 178.899 176.519 0.034 0.000 1.213 709 W CA 2.381 59.745 57.345 0.032 0.000 1.274 709 W CB -0.577 28.869 29.460 -0.023 0.000 1.148 709 W HN 0.417 nan 8.180 nan 0.000 0.498 710 A N -0.328 122.706 122.820 0.356 0.000 1.969 710 A HA -0.179 4.146 4.320 0.010 0.000 0.218 710 A C 2.154 179.797 177.584 0.099 0.000 1.169 710 A CA 1.710 53.882 52.037 0.225 0.000 0.635 710 A CB -1.365 17.725 19.000 0.151 0.000 0.810 710 A HN 0.336 nan 8.150 nan 0.000 0.445 711 C N -1.074 118.274 119.300 0.079 0.000 2.440 711 C HA 0.116 4.582 4.460 0.010 0.000 0.278 711 C C 3.290 178.275 174.990 -0.008 0.000 1.295 711 C CA 0.651 59.675 59.018 0.009 0.000 1.738 711 C CB -1.215 26.519 27.740 -0.009 0.000 1.987 711 C HN 0.704 nan 8.230 nan 0.000 0.492 712 A N 0.357 123.200 122.820 0.039 0.000 1.902 712 A HA -0.236 4.089 4.320 0.010 0.000 0.217 712 A C 2.137 179.689 177.584 -0.053 0.000 1.181 712 A CA 1.907 53.956 52.037 0.021 0.000 0.623 712 A CB -0.702 18.338 19.000 0.067 0.000 0.818 712 A HN 0.707 nan 8.150 nan 0.000 0.443 713 E N -0.106 120.051 120.200 -0.071 0.000 2.085 713 E HA -0.239 4.116 4.350 0.010 0.000 0.194 713 E C 2.032 178.612 176.600 -0.033 0.000 0.994 713 E CA 1.251 57.617 56.400 -0.058 0.000 0.801 713 E CB -0.235 29.475 29.700 0.017 0.000 0.743 713 E HN 0.690 nan 8.360 nan 0.000 0.453 714 N N 0.385 119.069 118.700 -0.027 0.000 2.188 714 N HA -0.142 4.604 4.740 0.010 0.000 0.184 714 N C 2.110 177.584 175.510 -0.061 0.000 1.018 714 N CA 0.725 53.749 53.050 -0.042 0.000 0.858 714 N CB -0.034 38.421 38.487 -0.054 0.000 0.989 714 N HN 0.228 nan 8.380 nan 0.000 0.426 715 L N 0.659 121.840 121.223 -0.071 0.000 2.093 715 L HA -0.083 4.263 4.340 0.010 0.000 0.208 715 L C 2.573 179.407 176.870 -0.060 0.000 1.085 715 L CA 1.138 55.930 54.840 -0.080 0.000 0.755 715 L CB -0.308 41.697 42.059 -0.091 0.000 0.904 715 L HN 0.163 nan 8.230 nan 0.000 0.435 716 A N -0.133 122.655 122.820 -0.053 0.000 1.874 716 A HA -0.130 4.196 4.320 0.010 0.000 0.214 716 A C 2.018 179.575 177.584 -0.044 0.000 1.189 716 A CA 1.527 53.535 52.037 -0.049 0.000 0.615 716 A CB -0.320 18.644 19.000 -0.060 0.000 0.830 716 A HN 0.388 nan 8.150 nan 0.000 0.443 717 N N -0.641 118.036 118.700 -0.039 0.000 2.368 717 N HA -0.003 4.743 4.740 0.010 0.000 0.178 717 N C 1.494 176.987 175.510 -0.029 0.000 1.021 717 N CA 0.941 53.974 53.050 -0.029 0.000 0.875 717 N CB -0.062 38.414 38.487 -0.019 0.000 1.020 717 N HN 0.291 nan 8.380 nan 0.000 0.433 718 K N 1.031 121.411 120.400 -0.033 0.000 2.159 718 K HA 0.260 4.585 4.320 0.010 0.000 0.210 718 K C 2.250 178.827 176.600 -0.039 0.000 1.026 718 K CA 0.207 56.475 56.287 -0.031 0.000 0.959 718 K CB -0.732 31.750 32.500 -0.031 0.000 0.890 718 K HN 0.054 nan 8.250 nan 0.000 0.459 719 I N 1.585 122.124 120.570 -0.051 0.000 2.142 719 I HA -0.246 3.930 4.170 0.010 0.000 0.240 719 I C 0.358 176.441 176.117 -0.056 0.000 1.078 719 I CA 1.165 62.431 61.300 -0.057 0.000 1.343 719 I CB -0.253 37.697 38.000 -0.084 0.000 1.046 719 I HN 0.284 nan 8.210 nan 0.000 0.405 720 K N -0.042 120.323 120.400 -0.059 0.000 3.251 720 K HA -0.142 4.184 4.320 0.010 0.000 0.282 720 K C 0.081 176.641 176.600 -0.067 0.000 1.201 720 K CA 0.176 56.426 56.287 -0.062 0.000 0.827 720 K CB -1.917 30.542 32.500 -0.068 0.000 1.286 720 K HN 0.440 nan 8.250 nan 0.000 0.503 721 A N 0.828 123.614 122.820 -0.056 0.000 2.366 721 A HA 0.424 4.749 4.320 0.010 0.000 0.249 721 A C 0.590 178.160 177.584 -0.025 0.000 1.084 721 A CA -0.369 51.647 52.037 -0.036 0.000 0.794 721 A CB 0.323 19.306 19.000 -0.028 0.000 1.034 721 A HN 0.304 nan 8.150 nan 0.000 0.491 722 L N 1.544 122.764 121.223 -0.005 0.000 2.361 722 L HA 0.305 4.651 4.340 0.010 0.000 0.278 722 L C -0.083 176.797 176.870 0.017 0.000 1.113 722 L CA 0.245 55.089 54.840 0.007 0.000 0.849 722 L CB 0.251 42.321 42.059 0.018 0.000 1.155 722 L HN 0.661 nan 8.230 nan 0.000 0.452 723 T N 4.821 119.387 114.554 0.019 0.000 2.937 723 T HA 0.487 4.842 4.350 0.010 0.000 0.297 723 T C -0.268 174.469 174.700 0.061 0.000 0.991 723 T CA -0.489 61.626 62.100 0.024 0.000 0.990 723 T CB 1.402 70.273 68.868 0.005 0.000 0.991 723 T HN 0.300 nan 8.240 nan 0.000 0.440 724 L N 3.840 125.105 121.223 0.070 0.000 2.265 724 L HA 0.550 4.895 4.340 0.010 0.000 0.289 724 L C -0.862 176.112 176.870 0.175 0.000 1.033 724 L CA -0.856 54.057 54.840 0.122 0.000 0.814 724 L CB 0.764 42.886 42.059 0.105 0.000 1.203 724 L HN 0.526 nan 8.230 nan 0.000 0.423 725 F N 4.039 124.002 119.950 0.022 0.000 2.359 725 F HA 0.568 5.101 4.527 0.011 0.000 0.370 725 F C 0.372 176.174 175.800 0.004 0.000 1.077 725 F CA -1.528 56.478 58.000 0.009 0.000 1.136 725 F CB 0.782 39.773 39.000 -0.014 0.000 1.387 725 F HN 0.460 nan 8.300 nan 0.000 0.468 726 A N 3.577 126.634 122.820 0.396 0.000 2.440 726 A HA 0.587 4.913 4.320 0.010 0.000 0.251 726 A C 0.186 177.859 177.584 0.147 0.000 1.089 726 A CA 0.253 52.392 52.037 0.169 0.000 0.779 726 A CB 0.388 19.454 19.000 0.110 0.000 1.022 726 A HN 0.745 nan 8.150 nan 0.000 0.492 727 T N 0.296 114.777 114.554 -0.122 0.000 2.830 727 T HA 0.463 4.818 4.350 0.010 0.000 0.322 727 T C -0.224 174.291 174.700 -0.309 0.000 1.501 727 T CA -0.442 61.555 62.100 -0.172 0.000 1.036 727 T CB 0.804 69.510 68.868 -0.270 0.000 1.379 727 T HN 0.691 nan 8.240 nan 0.000 0.493 728 H N 0.776 119.806 119.070 -0.067 0.000 2.586 728 H HA 0.323 4.885 4.556 0.010 0.000 0.273 728 H C -0.481 174.870 175.328 0.039 0.000 0.997 728 H CA -0.073 55.966 56.048 -0.014 0.000 1.177 728 H CB 0.211 29.947 29.762 -0.043 0.000 1.471 728 H HN 0.348 nan 8.280 nan 0.000 0.538 729 Y N 0.434 120.821 120.300 0.146 0.000 2.674 729 Y HA -0.056 4.500 4.550 0.009 0.000 0.354 729 Y C 0.672 176.642 175.900 0.117 0.000 1.089 729 Y CA -0.396 57.792 58.100 0.147 0.000 1.444 729 Y CB -0.500 38.021 38.460 0.102 0.000 1.187 729 Y HN 0.216 nan 8.280 nan 0.000 0.523 730 F N 1.136 121.211 119.950 0.207 0.000 2.333 730 F HA -0.170 4.363 4.527 0.010 0.000 0.300 730 F C 1.679 177.555 175.800 0.127 0.000 1.083 730 F CA 1.215 59.285 58.000 0.117 0.000 1.395 730 F CB 0.052 39.098 39.000 0.077 0.000 1.056 730 F HN 0.493 nan 8.300 nan 0.000 0.529 731 E N -0.040 120.350 120.200 0.318 0.000 2.204 731 E HA -0.172 4.184 4.350 0.010 0.000 0.195 731 E C 2.123 178.887 176.600 0.273 0.000 0.990 731 E CA 0.886 57.452 56.400 0.278 0.000 0.821 731 E CB -0.362 29.491 29.700 0.255 0.000 0.750 731 E HN 0.400 nan 8.360 nan 0.000 0.477 732 L N 0.794 122.091 121.223 0.124 0.000 2.376 732 L HA -0.059 4.287 4.340 0.010 0.000 0.219 732 L C 2.126 178.865 176.870 -0.218 0.000 1.133 732 L CA 1.292 56.071 54.840 -0.102 0.000 0.816 732 L CB -0.774 41.145 42.059 -0.234 0.000 0.933 732 L HN 0.303 nan 8.230 nan 0.000 0.449 733 T N -3.759 110.684 114.554 -0.185 0.000 3.098 733 T HA -0.233 4.123 4.350 0.010 0.000 0.266 733 T C 1.590 176.221 174.700 -0.115 0.000 1.145 733 T CA 0.758 62.728 62.100 -0.216 0.000 1.092 733 T CB -0.091 68.578 68.868 -0.332 0.000 0.908 733 T HN 0.363 nan 8.240 nan 0.000 0.526 734 Q N 0.021 119.798 119.800 -0.037 0.000 2.425 734 Q HA 0.212 4.558 4.340 0.010 0.000 0.204 734 Q C 1.914 177.872 176.000 -0.071 0.000 0.933 734 Q CA -0.016 55.809 55.803 0.036 0.000 0.939 734 Q CB -0.330 28.538 28.738 0.216 0.000 1.044 734 Q HN 0.587 nan 8.270 nan 0.000 0.513 735 L N 0.822 121.860 121.223 -0.308 0.000 1.990 735 L HA -0.193 4.153 4.340 0.010 0.000 0.213 735 L C -0.676 176.072 176.870 -0.204 0.000 1.072 735 L CA 1.482 56.059 54.840 -0.437 0.000 0.755 735 L CB -1.728 40.013 42.059 -0.531 0.000 0.889 735 L HN 0.206 nan 8.230 nan 0.000 0.432 736 P HA -0.223 nan 4.420 nan 0.000 0.217 736 P C 1.371 178.645 177.300 -0.044 0.000 1.148 736 P CA 1.392 64.444 63.100 -0.081 0.000 0.828 736 P CB 0.011 31.674 31.700 -0.062 0.000 0.783 737 E N -0.423 119.761 120.200 -0.026 0.000 2.204 737 E HA -0.183 4.173 4.350 0.010 0.000 0.194 737 E C 1.336 177.950 176.600 0.024 0.000 0.989 737 E CA 0.972 57.377 56.400 0.009 0.000 0.824 737 E CB -0.016 29.704 29.700 0.033 0.000 0.756 737 E HN -0.004 nan 8.360 nan 0.000 0.477 738 K N -0.357 120.055 120.400 0.020 0.000 2.360 738 K HA 0.202 4.528 4.320 0.010 0.000 0.196 738 K C 0.509 177.124 176.600 0.025 0.000 1.049 738 K CA 0.313 56.637 56.287 0.063 0.000 1.049 738 K CB 0.842 33.451 32.500 0.182 0.000 0.881 738 K HN 0.292 nan 8.250 nan 0.000 0.542 739 M N -1.261 118.326 119.600 -0.022 0.000 2.578 739 M HA 0.411 4.897 4.480 0.010 0.000 0.276 739 M C -0.655 175.624 176.300 -0.036 0.000 1.245 739 M CA -0.766 54.516 55.300 -0.030 0.000 0.871 739 M CB 2.441 35.005 32.600 -0.060 0.000 1.722 739 M HN -0.262 nan 8.290 nan 0.000 0.473 740 E N 0.471 120.655 120.200 -0.027 0.000 2.373 740 E HA 0.432 4.788 4.350 0.010 0.000 0.263 740 E C 0.858 177.438 176.600 -0.033 0.000 1.073 740 E CA 1.282 57.667 56.400 -0.025 0.000 0.894 740 E CB 1.037 30.725 29.700 -0.019 0.000 1.008 740 E HN 0.991 nan 8.360 nan 0.000 0.420 741 G N 2.160 110.943 108.800 -0.028 0.000 2.179 741 G HA2 -0.238 3.728 3.960 0.010 0.000 0.260 741 G HA3 -0.238 3.728 3.960 0.010 0.000 0.260 741 G C -0.076 174.806 174.900 -0.030 0.000 0.977 741 G CA 0.298 45.381 45.100 -0.027 0.000 0.641 741 G HN 0.430 nan 8.290 nan 0.000 0.533 742 V N 0.471 120.361 119.914 -0.041 0.000 2.483 742 V HA 0.894 5.019 4.120 0.010 0.000 0.295 742 V C 0.472 176.539 176.094 -0.045 0.000 1.035 742 V CA -0.072 62.198 62.300 -0.050 0.000 0.896 742 V CB 1.518 33.288 31.823 -0.090 0.000 0.986 742 V HN 1.362 nan 8.190 nan 0.000 0.447 743 A N 3.845 126.644 122.820 -0.035 0.000 2.515 743 A HA 0.751 5.077 4.320 0.010 0.000 0.296 743 A C -0.825 176.740 177.584 -0.033 0.000 1.094 743 A CA -0.851 51.169 52.037 -0.027 0.000 0.718 743 A CB 1.517 20.513 19.000 -0.007 0.000 1.307 743 A HN 0.689 nan 8.150 nan 0.000 0.408 744 N N 0.283 118.964 118.700 -0.032 0.000 2.438 744 N HA 0.563 5.308 4.740 0.010 0.000 0.282 744 N C -0.429 175.088 175.510 0.011 0.000 1.037 744 N CA -0.001 53.029 53.050 -0.034 0.000 0.942 744 N CB 1.883 40.337 38.487 -0.055 0.000 1.136 744 N HN 0.842 nan 8.380 nan 0.000 0.481 745 V N -0.653 119.271 119.914 0.016 0.000 3.167 745 V HA 0.713 4.838 4.120 0.010 0.000 0.310 745 V C -0.752 175.378 176.094 0.060 0.000 1.207 745 V CA -0.786 61.528 62.300 0.022 0.000 1.059 745 V CB 2.586 34.385 31.823 -0.040 0.000 1.079 745 V HN 0.878 nan 8.190 nan 0.000 0.446 746 H N 0.846 119.862 119.070 -0.089 0.000 3.042 746 H HA 0.540 5.102 4.556 0.009 0.000 0.346 746 H C -2.165 173.105 175.328 -0.097 0.000 1.294 746 H CA -1.115 54.889 56.048 -0.073 0.000 1.141 746 H CB 1.691 31.442 29.762 -0.018 0.000 1.872 746 H HN 0.673 nan 8.280 nan 0.000 0.541 747 L N 2.649 123.853 121.223 -0.032 0.000 2.260 747 L HA 0.147 4.492 4.340 0.010 0.000 0.289 747 L C 0.288 177.167 176.870 0.015 0.000 1.057 747 L CA 0.020 54.802 54.840 -0.098 0.000 0.811 747 L CB 0.474 42.502 42.059 -0.051 0.000 1.184 747 L HN 0.717 nan 8.230 nan 0.000 0.429 748 D N 3.158 123.515 120.400 -0.072 0.000 2.443 748 D HA 0.447 5.093 4.640 0.010 0.000 0.239 748 D C -0.311 175.961 176.300 -0.045 0.000 1.136 748 D CA 0.306 54.320 54.000 0.024 0.000 0.879 748 D CB 1.170 41.948 40.800 -0.037 0.000 1.195 748 D HN 0.676 nan 8.370 nan 0.000 0.443 749 A N 3.106 125.876 122.820 -0.084 0.000 2.549 749 A HA 0.670 4.995 4.320 0.010 0.000 0.297 749 A C -1.413 176.036 177.584 -0.224 0.000 1.061 749 A CA -0.723 51.149 52.037 -0.275 0.000 0.690 749 A CB 1.068 19.716 19.000 -0.587 0.000 1.287 749 A HN 0.505 nan 8.150 nan 0.000 0.402 750 L N 1.064 122.144 121.223 -0.238 0.000 2.365 750 L HA 0.535 4.881 4.340 0.010 0.000 0.273 750 L C -0.231 176.479 176.870 -0.266 0.000 1.000 750 L CA -0.460 54.253 54.840 -0.211 0.000 0.819 750 L CB 2.161 44.107 42.059 -0.187 0.000 1.284 750 L HN 0.762 nan 8.230 nan 0.000 0.418 751 E N 1.512 121.565 120.200 -0.244 0.000 2.109 751 E HA 0.304 4.660 4.350 0.010 0.000 0.278 751 E C -1.233 175.188 176.600 -0.298 0.000 0.954 751 E CA -0.576 55.714 56.400 -0.184 0.000 0.779 751 E CB 0.972 30.640 29.700 -0.052 0.000 1.093 751 E HN 0.455 nan 8.360 nan 0.000 0.401 752 H N 2.011 121.047 119.070 -0.057 0.000 2.661 752 H HA 0.270 4.832 4.556 0.010 0.000 0.290 752 H C 1.059 176.367 175.328 -0.033 0.000 1.082 752 H CA 0.365 56.389 56.048 -0.040 0.000 1.234 752 H CB 1.294 31.030 29.762 -0.044 0.000 1.387 752 H HN 0.843 nan 8.280 nan 0.000 0.476 753 G N 3.203 112.034 108.800 0.051 0.000 2.704 753 G HA2 -0.556 3.410 3.960 0.010 0.000 0.344 753 G HA3 -0.556 3.410 3.960 0.010 0.000 0.344 753 G C 1.448 176.359 174.900 0.019 0.000 1.200 753 G CA 1.382 46.499 45.100 0.028 0.000 0.962 753 G HN 0.644 nan 8.290 nan 0.000 0.552 754 D N 1.073 121.486 120.400 0.022 0.000 2.144 754 D HA 0.113 4.759 4.640 0.010 0.000 0.200 754 D C 1.884 178.188 176.300 0.008 0.000 0.978 754 D CA 2.178 56.186 54.000 0.012 0.000 0.833 754 D CB -0.359 40.448 40.800 0.010 0.000 0.961 754 D HN 0.807 nan 8.370 nan 0.000 0.470 755 T N -1.798 112.764 114.554 0.013 0.000 2.919 755 T HA 0.521 4.877 4.350 0.010 0.000 0.282 755 T C 0.028 174.699 174.700 -0.049 0.000 1.020 755 T CA -1.015 61.078 62.100 -0.011 0.000 0.994 755 T CB 1.719 70.582 68.868 -0.008 0.000 1.180 755 T HN 0.087 nan 8.240 nan 0.000 0.566 756 I N 0.524 121.007 120.570 -0.144 0.000 2.447 756 I HA 0.637 4.813 4.170 0.010 0.000 0.287 756 I C -0.794 175.028 176.117 -0.492 0.000 1.023 756 I CA -1.188 59.912 61.300 -0.334 0.000 1.083 756 I CB 1.183 38.903 38.000 -0.468 0.000 1.245 756 I HN 0.951 nan 8.210 nan 0.000 0.434 757 A N 7.180 129.779 122.820 -0.368 0.000 2.260 757 A HA 0.608 4.933 4.320 0.010 0.000 0.308 757 A C -1.185 176.137 177.584 -0.436 0.000 1.254 757 A CA -0.276 51.591 52.037 -0.283 0.000 0.874 757 A CB 0.101 19.096 19.000 -0.009 0.000 1.153 757 A HN 0.606 nan 8.150 nan 0.000 0.527 758 F N 3.415 123.255 119.950 -0.184 0.000 2.375 758 F HA 0.232 4.765 4.527 0.010 0.000 0.362 758 F C 1.295 176.805 175.800 -0.483 0.000 1.129 758 F CA -0.653 57.120 58.000 -0.379 0.000 1.154 758 F CB 1.268 39.999 39.000 -0.448 0.000 1.205 758 F HN 0.517 nan 8.300 nan 0.000 0.513 759 M N 1.839 121.306 119.600 -0.222 0.000 2.388 759 M HA -0.024 4.462 4.480 0.010 0.000 0.265 759 M C 0.890 177.125 176.300 -0.107 0.000 1.088 759 M CA 0.744 55.965 55.300 -0.132 0.000 1.134 759 M CB -0.889 31.667 32.600 -0.072 0.000 1.384 759 M HN 0.608 nan 8.290 nan 0.000 0.447 760 H N 0.118 119.173 119.070 -0.026 0.000 2.899 760 H HA -0.099 4.463 4.556 0.009 0.000 0.282 760 H C -0.161 175.087 175.328 -0.134 0.000 1.198 760 H CA 0.855 56.841 56.048 -0.103 0.000 1.140 760 H CB -2.389 27.267 29.762 -0.176 0.000 1.317 760 H HN 0.474 nan 8.280 nan 0.000 0.375 761 S N -0.708 114.955 115.700 -0.061 0.000 2.449 761 S HA 0.591 5.066 4.470 0.010 0.000 0.310 761 S C 0.360 174.845 174.600 -0.193 0.000 1.096 761 S CA -0.876 57.267 58.200 -0.095 0.000 1.095 761 S CB 3.039 66.198 63.200 -0.068 0.000 1.007 761 S HN 0.138 nan 8.310 nan 0.000 0.474 762 V N 4.209 123.975 119.914 -0.246 0.000 2.508 762 V HA 0.333 4.459 4.120 0.010 0.000 0.281 762 V C -0.032 175.877 176.094 -0.309 0.000 1.041 762 V CA -0.167 61.905 62.300 -0.380 0.000 1.016 762 V CB 0.466 31.947 31.823 -0.569 0.000 0.984 762 V HN 0.863 nan 8.190 nan 0.000 0.478 763 Q N 2.240 121.765 119.800 -0.458 0.000 2.375 763 Q HA 0.441 4.787 4.340 0.010 0.000 0.271 763 Q C -1.152 174.695 176.000 -0.255 0.000 1.074 763 Q CA -0.919 54.659 55.803 -0.376 0.000 0.808 763 Q CB 2.539 30.985 28.738 -0.487 0.000 1.327 763 Q HN 0.642 nan 8.270 nan 0.000 0.441 764 D N 0.649 121.009 120.400 -0.066 0.000 2.382 764 D HA 0.451 5.096 4.640 0.010 0.000 0.240 764 D C 0.719 177.096 176.300 0.129 0.000 1.146 764 D CA 1.210 55.222 54.000 0.020 0.000 0.897 764 D CB 0.687 41.499 40.800 0.020 0.000 1.197 764 D HN 0.734 nan 8.370 nan 0.000 0.432 765 G N -0.513 108.358 108.800 0.119 0.000 2.699 765 G HA2 0.296 4.262 3.960 0.010 0.000 0.686 765 G HA3 0.296 4.262 3.960 0.010 0.000 0.686 765 G C -0.226 174.760 174.900 0.143 0.000 1.301 765 G CA -0.396 44.773 45.100 0.114 0.000 0.816 765 G HN 0.663 nan 8.290 nan 0.000 0.595 766 A N 0.478 123.283 122.820 -0.026 0.000 2.346 766 A HA 0.904 5.230 4.320 0.010 0.000 0.252 766 A C 1.332 178.714 177.584 -0.336 0.000 1.089 766 A CA 1.169 53.114 52.037 -0.153 0.000 0.797 766 A CB 0.178 19.051 19.000 -0.212 0.000 1.047 766 A HN 2.655 nan 8.150 nan 0.000 0.494 767 A N 0.491 123.117 122.820 -0.323 0.000 2.466 767 A HA 0.388 4.714 4.320 0.010 0.000 0.238 767 A C 1.622 179.166 177.584 -0.068 0.000 1.074 767 A CA 0.446 52.280 52.037 -0.338 0.000 0.774 767 A CB -0.249 18.854 19.000 0.171 0.000 1.015 767 A HN 1.963 nan 8.150 nan 0.000 0.498 768 S N 0.944 116.576 115.700 -0.113 0.000 2.399 768 S HA -0.050 4.426 4.470 0.010 0.000 0.231 768 S C 0.632 175.201 174.600 -0.051 0.000 1.022 768 S CA 1.310 59.483 58.200 -0.043 0.000 0.983 768 S CB -0.513 62.667 63.200 -0.033 0.000 0.803 768 S HN 1.006 nan 8.310 nan 0.000 0.480 769 K N -0.099 120.224 120.400 -0.129 0.000 2.556 769 K HA 0.514 4.840 4.320 0.010 0.000 0.289 769 K C -1.505 174.741 176.600 -0.591 0.000 1.040 769 K CA -0.699 55.301 56.287 -0.480 0.000 0.894 769 K CB 0.910 33.070 32.500 -0.567 0.000 1.547 769 K HN 0.079 nan 8.250 nan 0.000 0.417 770 S N -0.127 115.127 115.700 -0.744 0.000 2.489 770 S HA 0.405 4.881 4.470 0.010 0.000 0.291 770 S C -0.632 173.716 174.600 -0.420 0.000 1.151 770 S CA -0.692 57.286 58.200 -0.370 0.000 1.082 770 S CB 0.185 63.223 63.200 -0.270 0.000 1.019 770 S HN 0.607 nan 8.310 nan 0.000 0.492 771 Y N 1.388 121.708 120.300 0.033 0.000 2.720 771 Y HA 0.371 4.926 4.550 0.009 0.000 0.277 771 Y C 1.945 177.847 175.900 0.003 0.000 1.144 771 Y CA -0.657 57.450 58.100 0.011 0.000 1.221 771 Y CB -0.125 38.361 38.460 0.042 0.000 1.163 771 Y HN 0.888 nan 8.280 nan 0.000 0.537 772 G N 0.554 109.395 108.800 0.068 0.000 2.440 772 G HA2 -0.218 3.748 3.960 0.010 0.000 0.218 772 G HA3 -0.218 3.748 3.960 0.010 0.000 0.218 772 G C 1.562 176.473 174.900 0.020 0.000 1.154 772 G CA 0.912 46.022 45.100 0.017 0.000 0.767 772 G HN 0.399 nan 8.290 nan 0.000 0.552 773 L N 0.440 121.666 121.223 0.006 0.000 2.056 773 L HA -0.026 4.319 4.340 0.010 0.000 0.207 773 L C 3.399 180.285 176.870 0.027 0.000 1.078 773 L CA 1.057 55.898 54.840 0.002 0.000 0.749 773 L CB -0.535 41.511 42.059 -0.021 0.000 0.901 773 L HN 0.331 nan 8.230 nan 0.000 0.433 774 A N -0.266 122.589 122.820 0.058 0.000 1.930 774 A HA -0.112 4.214 4.320 0.010 0.000 0.217 774 A C 2.322 179.949 177.584 0.071 0.000 1.175 774 A CA 1.409 53.487 52.037 0.068 0.000 0.627 774 A CB -0.666 18.401 19.000 0.111 0.000 0.815 774 A HN 0.190 nan 8.150 nan 0.000 0.443 775 V N -0.137 119.837 119.914 0.100 0.000 2.427 775 V HA -0.213 3.913 4.120 0.010 0.000 0.248 775 V C 3.038 179.170 176.094 0.063 0.000 1.051 775 V CA 1.737 64.101 62.300 0.106 0.000 1.048 775 V CB -1.145 30.753 31.823 0.125 0.000 0.666 775 V HN 0.608 nan 8.190 nan 0.000 0.456 776 A N 0.219 123.062 122.820 0.039 0.000 1.883 776 A HA -0.181 4.145 4.320 0.010 0.000 0.217 776 A C 2.454 180.052 177.584 0.023 0.000 1.186 776 A CA 2.259 54.309 52.037 0.022 0.000 0.624 776 A CB -0.868 18.137 19.000 0.009 0.000 0.822 776 A HN 0.573 nan 8.150 nan 0.000 0.444 777 A N -0.617 122.217 122.820 0.025 0.000 1.908 777 A HA -0.083 4.243 4.320 0.010 0.000 0.218 777 A C 2.130 179.730 177.584 0.026 0.000 1.181 777 A CA 1.822 53.871 52.037 0.020 0.000 0.627 777 A CB -0.656 18.354 19.000 0.017 0.000 0.818 777 A HN 0.728 nan 8.150 nan 0.000 0.445 778 L N -0.269 120.977 121.223 0.038 0.000 2.083 778 L HA -0.058 4.288 4.340 0.010 0.000 0.209 778 L C 2.532 179.428 176.870 0.044 0.000 1.083 778 L CA 2.106 56.975 54.840 0.048 0.000 0.752 778 L CB -0.660 41.447 42.059 0.079 0.000 0.899 778 L HN 0.335 nan 8.230 nan 0.000 0.433 779 A N -1.328 121.515 122.820 0.039 0.000 2.168 779 A HA 0.328 4.654 4.320 0.010 0.000 0.215 779 A C 1.814 179.410 177.584 0.020 0.000 1.152 779 A CA 0.932 52.986 52.037 0.029 0.000 0.716 779 A CB -0.729 18.285 19.000 0.023 0.000 0.794 779 A HN 0.864 nan 8.150 nan 0.000 0.465 780 G N -2.151 106.660 108.800 0.019 0.000 2.184 780 G HA2 -0.156 3.810 3.960 0.010 0.000 0.206 780 G HA3 -0.156 3.810 3.960 0.010 0.000 0.206 780 G C 0.166 175.072 174.900 0.009 0.000 0.995 780 G CA -0.124 44.984 45.100 0.013 0.000 0.651 780 G HN 0.746 nan 8.290 nan 0.000 0.511 781 V N 2.433 122.352 119.914 0.009 0.000 2.644 781 V HA 0.208 4.334 4.120 0.010 0.000 0.305 781 V C -0.959 175.138 176.094 0.004 0.000 1.053 781 V CA -0.119 62.184 62.300 0.005 0.000 1.186 781 V CB 0.479 32.304 31.823 0.004 0.000 0.895 781 V HN 0.241 nan 8.190 nan 0.000 0.490 782 P HA 0.056 nan 4.420 nan 0.000 0.265 782 P C 0.653 177.953 177.300 0.001 0.000 1.187 782 P CA 0.037 63.138 63.100 0.002 0.000 0.766 782 P CB 0.447 32.147 31.700 0.000 0.000 0.820 783 K N 2.131 122.531 120.400 0.001 0.000 2.097 783 K HA -0.199 4.127 4.320 0.010 0.000 0.206 783 K C 1.755 178.353 176.600 -0.002 0.000 1.049 783 K CA 1.779 58.066 56.287 -0.000 0.000 0.933 783 K CB -0.092 32.408 32.500 0.000 0.000 0.717 783 K HN 0.639 nan 8.250 nan 0.000 0.442 784 E N 0.620 120.818 120.200 -0.002 0.000 2.209 784 E HA -0.151 4.205 4.350 0.010 0.000 0.196 784 E C 1.717 178.315 176.600 -0.005 0.000 0.993 784 E CA 1.143 57.541 56.400 -0.004 0.000 0.819 784 E CB -0.171 29.527 29.700 -0.003 0.000 0.745 784 E HN 0.009 nan 8.360 nan 0.000 0.477 785 V N 1.130 121.042 119.914 -0.004 0.000 2.599 785 V HA -0.120 4.006 4.120 0.010 0.000 0.245 785 V C 2.242 178.332 176.094 -0.007 0.000 1.046 785 V CA 0.642 62.939 62.300 -0.005 0.000 1.065 785 V CB -0.157 31.664 31.823 -0.004 0.000 0.703 785 V HN 0.291 nan 8.190 nan 0.000 0.464 786 I N 0.682 121.249 120.570 -0.005 0.000 2.264 786 I HA -0.252 3.924 4.170 0.010 0.000 0.248 786 I C 2.427 178.538 176.117 -0.011 0.000 1.111 786 I CA 1.751 63.046 61.300 -0.007 0.000 1.382 786 I CB -1.095 36.903 38.000 -0.003 0.000 1.060 786 I HN 0.384 nan 8.210 nan 0.000 0.418 787 K N 0.954 121.349 120.400 -0.009 0.000 2.057 787 K HA -0.239 4.086 4.320 0.010 0.000 0.207 787 K C 2.316 178.908 176.600 -0.013 0.000 1.049 787 K CA 1.480 57.760 56.287 -0.011 0.000 0.931 787 K CB 0.014 32.508 32.500 -0.009 0.000 0.714 787 K HN 0.004 nan 8.250 nan 0.000 0.440 788 R N 0.724 121.217 120.500 -0.011 0.000 2.090 788 R HA 0.023 4.369 4.340 0.010 0.000 0.228 788 R C 1.937 178.229 176.300 -0.014 0.000 1.110 788 R CA 1.631 57.724 56.100 -0.011 0.000 0.973 788 R CB -0.708 29.586 30.300 -0.009 0.000 0.869 788 R HN 0.283 nan 8.270 nan 0.000 0.440 789 A N 0.738 123.549 122.820 -0.015 0.000 1.902 789 A HA -0.147 4.179 4.320 0.010 0.000 0.217 789 A C 2.159 179.729 177.584 -0.024 0.000 1.181 789 A CA 1.557 53.583 52.037 -0.018 0.000 0.623 789 A CB -0.478 18.512 19.000 -0.017 0.000 0.818 789 A HN 0.358 nan 8.150 nan 0.000 0.443 790 R N -0.836 119.649 120.500 -0.025 0.000 2.127 790 R HA -0.178 4.167 4.340 0.010 0.000 0.238 790 R C 2.501 178.782 176.300 -0.031 0.000 1.134 790 R CA 1.542 57.622 56.100 -0.032 0.000 0.975 790 R CB -0.288 29.994 30.300 -0.030 0.000 0.865 790 R HN 0.800 nan 8.270 nan 0.000 0.447 791 Q N 0.970 120.755 119.800 -0.024 0.000 2.123 791 Q HA -0.191 4.155 4.340 0.010 0.000 0.199 791 Q C 1.873 177.860 176.000 -0.021 0.000 0.966 791 Q CA 1.449 57.239 55.803 -0.022 0.000 0.845 791 Q CB 0.136 28.864 28.738 -0.017 0.000 0.907 791 Q HN -0.024 nan 8.270 nan 0.000 0.439 792 K N 0.428 120.816 120.400 -0.020 0.000 2.097 792 K HA -0.139 4.187 4.320 0.010 0.000 0.205 792 K C 1.920 178.507 176.600 -0.023 0.000 1.050 792 K CA 0.825 57.101 56.287 -0.018 0.000 0.938 792 K CB -0.440 32.050 32.500 -0.015 0.000 0.718 792 K HN 0.242 nan 8.250 nan 0.000 0.442 793 L N 1.142 122.346 121.223 -0.031 0.000 2.046 793 L HA -0.082 4.264 4.340 0.010 0.000 0.208 793 L C 1.883 178.727 176.870 -0.044 0.000 1.077 793 L CA 1.692 56.507 54.840 -0.042 0.000 0.747 793 L CB -0.351 41.673 42.059 -0.058 0.000 0.896 793 L HN 0.130 nan 8.230 nan 0.000 0.432 794 R N -0.469 120.007 120.500 -0.041 0.000 2.115 794 R HA -0.130 4.216 4.340 0.010 0.000 0.230 794 R C 2.041 178.323 176.300 -0.029 0.000 1.111 794 R CA 1.438 57.514 56.100 -0.039 0.000 0.976 794 R CB -0.308 29.971 30.300 -0.035 0.000 0.870 794 R HN 0.569 nan 8.270 nan 0.000 0.445 795 E N 0.894 121.081 120.200 -0.023 0.000 2.051 795 E HA -0.163 4.193 4.350 0.010 0.000 0.192 795 E C 2.061 178.654 176.600 -0.013 0.000 0.991 795 E CA 1.061 57.451 56.400 -0.016 0.000 0.799 795 E CB -0.138 29.555 29.700 -0.011 0.000 0.748 795 E HN 0.256 nan 8.360 nan 0.000 0.449 796 L N 0.955 122.170 121.223 -0.013 0.000 2.083 796 L HA -0.182 4.163 4.340 0.010 0.000 0.209 796 L C 2.078 178.942 176.870 -0.010 0.000 1.083 796 L CA 1.164 56.002 54.840 -0.004 0.000 0.752 796 L CB -0.322 41.738 42.059 0.001 0.000 0.899 796 L HN 0.107 nan 8.230 nan 0.000 0.433 797 E N -0.419 119.765 120.200 -0.027 0.000 2.482 797 E HA -0.094 4.262 4.350 0.010 0.000 0.196 797 E C 1.948 178.532 176.600 -0.027 0.000 1.047 797 E CA 0.842 57.221 56.400 -0.037 0.000 0.869 797 E CB 0.105 29.768 29.700 -0.062 0.000 0.836 797 E HN 0.470 nan 8.360 nan 0.000 0.520 798 S N -0.171 115.517 115.700 -0.020 0.000 2.593 798 S HA 0.080 4.556 4.470 0.010 0.000 0.217 798 S C 1.722 176.315 174.600 -0.012 0.000 0.966 798 S CA -0.146 58.044 58.200 -0.017 0.000 0.914 798 S CB -0.172 63.019 63.200 -0.016 0.000 0.776 798 S HN 0.154 nan 8.310 nan 0.000 0.523 799 I N 1.809 122.374 120.570 -0.008 0.000 2.252 799 I HA -0.101 4.075 4.170 0.010 0.000 0.245 799 I C 1.529 177.641 176.117 -0.008 0.000 1.102 799 I CA 0.200 61.496 61.300 -0.006 0.000 1.385 799 I CB -0.699 37.301 38.000 -0.000 0.000 1.064 799 I HN 0.228 nan 8.210 nan 0.000 0.414 800 S N 0.000 115.696 115.700 -0.006 0.000 2.498 800 S HA 0.000 4.476 4.470 0.010 0.000 0.327 800 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 800 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517