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 3hpz_1_B DATA FIRST_RESID 18 DATA SEQUENCE TIVKPAGPPR VGQPSWNPQR ASSMPVNRYR PFAEEVEPIR LRNRTWPDRV DATA SEQUENCE IDRAPLWCAV DLRDGNQALI DPMSPARKRR MFDLLVRMGY KEIEVGFPSA DATA SEQUENCE SQTDFDFVRE IIEQGAIPDD VTIQVLTQCR PELIERTFQA CSGAPRAIVH DATA SEQUENCE FYNSTSILQR RVVFRANRAE VQAIATDGAR KCVEQAAKYP GTQWRFEYSP DATA SEQUENCE ESYTGTELEY AKQVCDAVGE VIAPTPERPI IFNLPATVEM TTPNVYADSI DATA SEQUENCE EWMSRNLANR ESVILSLHPH NDRGTAVAAA ELGFAAGADR IEGCLFGNGE DATA SEQUENCE RTGNVCLVTL GLNLFSRGVD PQIDFSNIDE IRRTVEYCNQ LPVHERHPYG DATA SEQUENCE GDLVYTAFSG SHQDAINKGL DAMKLDADAA DCDVDDMLWQ VPYLPIDPRD DATA SEQUENCE VGRTYEAVIR VNXXXXKGGV AYIMKTDHGL SLPRRLQIEF SQVIQKXXXX DATA SEQUENCE XXXXXXXVSP KEMWDAFAEE YLAPVRPLER IRQHVDAADD DGGTTSITAT DATA SEQUENCE VKINGVETEI SGSGNGPLAA FVHALADVGF DVAVLDYYEH AMSAGDDAQA DATA SEQUENCE AAYVEASVTI AXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXTSKT DATA SEQUENCE VWGVGIAPSI TTASLRAVVS AVNRAA 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.698 174.700 -0.003 0.000 1.109 18 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 18 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 19 I N 1.973 122.541 120.570 -0.004 0.000 2.321 19 I HA 0.715 4.887 4.170 0.003 0.000 0.291 19 I C 0.376 176.491 176.117 -0.003 0.000 0.998 19 I CA -0.657 60.640 61.300 -0.004 0.000 1.227 19 I CB 1.138 39.135 38.000 -0.005 0.000 1.368 19 I HN 0.603 nan 8.210 nan 0.000 0.466 20 V N 4.529 124.442 119.914 -0.002 0.000 2.448 20 V HA 0.693 4.814 4.120 0.003 0.000 0.295 20 V C 0.568 176.661 176.094 -0.001 0.000 1.025 20 V CA -1.094 61.205 62.300 -0.001 0.000 0.859 20 V CB 1.257 33.080 31.823 -0.001 0.000 0.988 20 V HN 0.762 nan 8.190 nan 0.000 0.431 21 K N 5.580 125.979 120.400 -0.001 0.000 2.548 21 K HA 0.315 4.637 4.320 0.003 0.000 0.277 21 K C -1.878 174.722 176.600 -0.001 0.000 1.001 21 K CA -0.103 56.184 56.287 -0.001 0.000 1.102 21 K CB -1.180 31.320 32.500 -0.001 0.000 0.848 21 K HN 0.889 nan 8.250 nan 0.000 0.487 22 P HA 0.265 nan 4.420 nan 0.000 0.267 22 P C 0.184 177.483 177.300 -0.002 0.000 1.201 22 P CA 0.640 63.739 63.100 -0.001 0.000 0.775 22 P CB 1.154 32.853 31.700 -0.001 0.000 0.854 23 A N 1.359 124.177 122.820 -0.002 0.000 2.736 23 A HA 0.436 4.757 4.320 0.003 0.000 0.222 23 A C 0.930 178.511 177.584 -0.005 0.000 1.267 23 A CA 0.382 52.417 52.037 -0.003 0.000 1.026 23 A CB -0.383 18.615 19.000 -0.003 0.000 1.281 23 A HN 0.621 nan 8.150 nan 0.000 0.577 24 G N 1.156 109.953 108.800 -0.004 0.000 2.716 24 G HA2 0.450 4.411 3.960 0.003 0.000 0.251 24 G HA3 0.450 4.411 3.960 0.003 0.000 0.251 24 G C -2.344 172.550 174.900 -0.010 0.000 1.224 24 G CA -0.775 44.322 45.100 -0.006 0.000 0.891 24 G HN 0.189 nan 8.290 nan 0.000 0.561 25 P HA 0.289 nan 4.420 nan 0.000 0.276 25 P C -2.530 174.757 177.300 -0.022 0.000 1.252 25 P CA -1.360 61.730 63.100 -0.016 0.000 0.802 25 P CB 0.492 32.182 31.700 -0.016 0.000 1.035 26 P HA 0.230 nan 4.420 nan 0.000 0.274 26 P C 0.031 177.307 177.300 -0.040 0.000 1.260 26 P CA -0.239 62.836 63.100 -0.041 0.000 0.793 26 P CB 0.421 32.086 31.700 -0.059 0.000 1.048 27 R N -0.408 120.064 120.500 -0.046 0.000 2.707 27 R HA 0.295 4.636 4.340 0.003 0.000 0.270 27 R C -0.458 175.814 176.300 -0.047 0.000 1.083 27 R CA -0.802 55.274 56.100 -0.040 0.000 1.182 27 R CB -0.051 30.227 30.300 -0.037 0.000 1.084 27 R HN 0.197 nan 8.270 nan 0.000 0.528 28 V N 2.049 121.941 119.914 -0.037 0.000 2.439 28 V HA 0.240 4.361 4.120 0.003 0.000 0.271 28 V C 1.269 177.337 176.094 -0.043 0.000 1.040 28 V CA 1.582 63.859 62.300 -0.037 0.000 1.002 28 V CB 0.443 32.251 31.823 -0.025 0.000 1.000 28 V HN 1.133 nan 8.190 nan 0.000 0.477 29 G N 3.775 112.541 108.800 -0.057 0.000 2.218 29 G HA2 -0.213 3.749 3.960 0.003 0.000 0.216 29 G HA3 -0.213 3.749 3.960 0.003 0.000 0.216 29 G C 0.348 175.182 174.900 -0.109 0.000 0.994 29 G CA 0.159 45.219 45.100 -0.066 0.000 0.637 29 G HN 0.697 nan 8.290 nan 0.000 0.505 30 Q N 1.813 121.539 119.800 -0.124 0.000 2.289 30 Q HA 0.433 4.774 4.340 0.003 0.000 0.273 30 Q C -2.038 173.788 176.000 -0.289 0.000 1.029 30 Q CA -1.209 54.482 55.803 -0.187 0.000 0.896 30 Q CB 0.603 29.253 28.738 -0.147 0.000 1.182 30 Q HN 0.271 nan 8.270 nan 0.000 0.385 31 P HA -0.023 nan 4.420 nan 0.000 0.269 31 P C 0.202 177.098 177.300 -0.674 0.000 1.215 31 P CA -0.092 62.577 63.100 -0.719 0.000 0.780 31 P CB 0.899 31.727 31.700 -1.454 0.000 0.898 32 S N 1.340 116.758 115.700 -0.471 0.000 2.383 32 S HA -0.176 4.296 4.470 0.003 0.000 0.229 32 S C 1.501 176.002 174.600 -0.165 0.000 1.030 32 S CA 0.940 59.000 58.200 -0.234 0.000 1.002 32 S CB -1.145 62.005 63.200 -0.084 0.000 0.829 32 S HN 0.735 nan 8.310 nan 0.000 0.467 33 W N 1.837 123.139 121.300 0.003 0.000 3.077 33 W HA 0.350 5.011 4.660 0.003 0.000 0.245 33 W C 0.217 176.737 176.519 0.003 0.000 1.316 33 W CA -0.221 57.125 57.345 0.003 0.000 1.537 33 W CB -0.759 28.703 29.460 0.003 0.000 1.131 33 W HN 0.232 nan 8.180 nan 0.000 0.695 34 N N 2.902 121.496 118.700 -0.177 0.000 2.699 34 N HA 0.188 4.929 4.740 0.003 0.000 0.232 34 N C -1.938 173.528 175.510 -0.072 0.000 1.027 34 N CA -2.408 50.603 53.050 -0.066 0.000 0.920 34 N CB 1.114 39.468 38.487 -0.223 0.000 1.148 34 N HN -0.212 nan 8.380 nan 0.000 0.509 35 P HA 0.030 nan 4.420 nan 0.000 0.253 35 P C -0.127 177.168 177.300 -0.008 0.000 1.260 35 P CA 0.203 63.298 63.100 -0.008 0.000 0.800 35 P CB 0.261 31.971 31.700 0.017 0.000 1.162 36 Q N 0.688 120.485 119.800 -0.006 0.000 2.479 36 Q HA 0.096 4.437 4.340 0.003 0.000 0.267 36 Q C 0.307 176.298 176.000 -0.015 0.000 1.071 36 Q CA 0.415 56.215 55.803 -0.005 0.000 0.935 36 Q CB 0.470 29.208 28.738 0.001 0.000 1.295 36 Q HN 0.051 nan 8.270 nan 0.000 0.476 37 R N 0.360 120.855 120.500 -0.009 0.000 2.740 37 R HA 0.531 4.872 4.340 0.003 0.000 0.282 37 R C -0.912 175.383 176.300 -0.008 0.000 0.969 37 R CA -0.912 55.181 56.100 -0.011 0.000 0.918 37 R CB 1.295 31.591 30.300 -0.007 0.000 1.175 37 R HN 0.730 nan 8.270 nan 0.000 0.464 38 A N 1.655 124.470 122.820 -0.009 0.000 2.565 38 A HA 0.174 4.495 4.320 0.003 0.000 0.237 38 A C 0.671 178.254 177.584 -0.001 0.000 1.053 38 A CA 0.217 52.251 52.037 -0.005 0.000 0.755 38 A CB -0.102 18.895 19.000 -0.004 0.000 0.980 38 A HN 0.792 nan 8.150 nan 0.000 0.506 39 S N 1.163 116.864 115.700 0.002 0.000 2.707 39 S HA 0.498 4.970 4.470 0.003 0.000 0.276 39 S C 0.741 175.346 174.600 0.007 0.000 1.179 39 S CA 0.026 58.228 58.200 0.003 0.000 0.992 39 S CB 1.290 64.491 63.200 0.003 0.000 1.030 39 S HN 1.451 nan 8.310 nan 0.000 0.554 40 S N -0.040 115.665 115.700 0.008 0.000 2.614 40 S HA 0.292 4.763 4.470 0.003 0.000 0.230 40 S C 0.454 175.066 174.600 0.021 0.000 0.952 40 S CA -0.595 57.613 58.200 0.013 0.000 0.949 40 S CB -0.734 62.472 63.200 0.009 0.000 0.786 40 S HN 0.666 nan 8.310 nan 0.000 0.478 41 M N 3.670 123.283 119.600 0.023 0.000 2.238 41 M HA 0.176 4.657 4.480 0.003 0.000 0.350 41 M C -2.147 174.191 176.300 0.063 0.000 1.321 41 M CA -1.215 54.108 55.300 0.037 0.000 1.097 41 M CB -0.018 32.596 32.600 0.022 0.000 1.713 41 M HN 0.008 nan 8.290 nan 0.000 0.455 42 P HA 0.060 nan 4.420 nan 0.000 0.237 42 P C 0.853 178.274 177.300 0.202 0.000 1.788 42 P CA -0.109 63.058 63.100 0.111 0.000 1.061 42 P CB -0.555 31.204 31.700 0.098 0.000 1.967 43 V N 0.442 120.455 119.914 0.165 0.000 2.490 43 V HA -0.258 3.864 4.120 0.003 0.000 0.250 43 V C 2.100 178.301 176.094 0.178 0.000 1.061 43 V CA 1.809 64.236 62.300 0.212 0.000 1.064 43 V CB -1.574 30.314 31.823 0.108 0.000 0.670 43 V HN 0.314 nan 8.190 nan 0.000 0.461 44 N N 1.866 120.613 118.700 0.078 0.000 2.513 44 N HA -0.240 4.501 4.740 0.003 0.000 0.187 44 N C 1.699 177.172 175.510 -0.062 0.000 1.056 44 N CA 1.536 54.595 53.050 0.014 0.000 0.907 44 N CB -0.537 37.949 38.487 -0.001 0.000 0.954 44 N HN 0.583 nan 8.380 nan 0.000 0.445 45 R N -0.736 119.677 120.500 -0.144 0.000 2.310 45 R HA 0.132 4.474 4.340 0.003 0.000 0.202 45 R C -0.277 175.540 176.300 -0.806 0.000 0.933 45 R CA 0.261 56.083 56.100 -0.464 0.000 1.054 45 R CB 0.044 29.957 30.300 -0.644 0.000 0.985 45 R HN 0.291 nan 8.270 nan 0.000 0.489 46 Y N -0.186 120.114 120.300 0.000 0.000 2.457 46 Y HA 0.434 4.985 4.550 0.003 0.000 0.343 46 Y C -0.034 175.870 175.900 0.006 0.000 0.994 46 Y CA -1.161 56.943 58.100 0.006 0.000 1.031 46 Y CB 1.673 40.140 38.460 0.012 0.000 1.246 46 Y HN -0.270 nan 8.280 nan 0.000 0.449 47 R N 2.092 122.671 120.500 0.131 0.000 2.803 47 R HA 0.567 4.909 4.340 0.003 0.000 0.276 47 R C -2.766 173.588 176.300 0.091 0.000 0.978 47 R CA -2.121 54.023 56.100 0.073 0.000 0.939 47 R CB 1.189 31.498 30.300 0.016 0.000 1.179 47 R HN 0.373 nan 8.270 nan 0.000 0.472 48 P HA -0.117 nan 4.420 nan 0.000 0.266 48 P C 0.182 177.547 177.300 0.108 0.000 1.186 48 P CA 0.161 63.321 63.100 0.100 0.000 0.767 48 P CB 0.328 32.072 31.700 0.074 0.000 0.820 49 F N 3.029 122.993 119.950 0.024 0.000 2.115 49 F HA -0.301 4.228 4.527 0.003 0.000 0.300 49 F C 2.068 177.869 175.800 0.002 0.000 1.092 49 F CA 2.239 60.248 58.000 0.015 0.000 1.245 49 F CB -0.553 38.456 39.000 0.015 0.000 0.995 49 F HN 0.364 nan 8.300 nan 0.000 0.481 50 A N -0.518 122.327 122.820 0.042 0.000 2.015 50 A HA -0.162 4.159 4.320 0.003 0.000 0.219 50 A C 2.126 179.631 177.584 -0.132 0.000 1.163 50 A CA 1.776 53.784 52.037 -0.047 0.000 0.646 50 A CB -0.683 18.345 19.000 0.047 0.000 0.806 50 A HN 0.580 nan 8.150 nan 0.000 0.448 51 E N -1.070 119.071 120.200 -0.098 0.000 2.086 51 E HA -0.130 4.222 4.350 0.003 0.000 0.190 51 E C 2.032 178.546 176.600 -0.142 0.000 0.975 51 E CA 0.930 57.273 56.400 -0.095 0.000 0.813 51 E CB -0.022 29.650 29.700 -0.047 0.000 0.768 51 E HN 0.658 nan 8.360 nan 0.000 0.457 52 E N 0.309 120.401 120.200 -0.180 0.000 2.072 52 E HA -0.131 4.220 4.350 0.003 0.000 0.191 52 E C 1.521 177.938 176.600 -0.306 0.000 0.985 52 E CA 1.248 57.529 56.400 -0.199 0.000 0.801 52 E CB 0.256 29.865 29.700 -0.152 0.000 0.750 52 E HN 0.020 nan 8.360 nan 0.000 0.452 53 V N -0.654 118.929 119.914 -0.551 0.000 3.654 53 V HA 0.243 4.364 4.120 0.003 0.000 0.204 53 V C 0.456 176.319 176.094 -0.385 0.000 1.135 53 V CA 0.550 62.511 62.300 -0.565 0.000 1.368 53 V CB 0.132 31.404 31.823 -0.919 0.000 1.519 53 V HN 0.438 nan 8.190 nan 0.000 0.496 54 E N 0.563 120.523 120.200 -0.399 0.000 2.423 54 E HA 0.370 4.721 4.350 0.003 0.000 0.280 54 E C -3.267 173.273 176.600 -0.101 0.000 1.030 54 E CA -1.952 54.332 56.400 -0.193 0.000 0.812 54 E CB 2.113 31.723 29.700 -0.149 0.000 1.313 54 E HN 0.213 nan 8.360 nan 0.000 0.456 55 P HA 0.288 nan 4.420 nan 0.000 0.276 55 P C -0.582 176.728 177.300 0.015 0.000 1.243 55 P CA -0.024 63.087 63.100 0.018 0.000 0.768 55 P CB 0.316 32.019 31.700 0.004 0.000 0.856 56 I N 2.473 123.086 120.570 0.072 0.000 2.307 56 I HA 0.404 4.576 4.170 0.003 0.000 0.287 56 I C 1.126 177.275 176.117 0.053 0.000 1.054 56 I CA -0.564 60.755 61.300 0.031 0.000 1.218 56 I CB 0.621 38.658 38.000 0.062 0.000 1.398 56 I HN 0.235 nan 8.210 nan 0.000 0.475 57 R N 5.832 126.351 120.500 0.031 0.000 2.265 57 R HA 0.719 5.061 4.340 0.003 0.000 0.319 57 R C -1.016 175.342 176.300 0.096 0.000 1.006 57 R CA -0.456 55.681 56.100 0.062 0.000 0.880 57 R CB 1.168 31.497 30.300 0.049 0.000 1.077 57 R HN 0.601 nan 8.270 nan 0.000 0.454 58 L N 2.557 123.850 121.223 0.118 0.000 2.472 58 L HA 0.361 4.702 4.340 0.003 0.000 0.256 58 L C 1.637 178.567 176.870 0.100 0.000 1.560 58 L CA 0.276 55.206 54.840 0.149 0.000 0.805 58 L CB 1.335 43.525 42.059 0.217 0.000 1.017 58 L HN 0.899 nan 8.230 nan 0.000 0.519 59 R N 1.040 121.585 120.500 0.074 0.000 2.105 59 R HA -0.159 4.183 4.340 0.003 0.000 0.239 59 R C 0.996 177.306 176.300 0.017 0.000 1.135 59 R CA 2.043 58.167 56.100 0.040 0.000 0.967 59 R CB -1.449 28.872 30.300 0.036 0.000 0.861 59 R HN 0.841 nan 8.270 nan 0.000 0.442 60 N N 1.077 119.796 118.700 0.030 0.000 2.346 60 N HA -0.033 4.708 4.740 0.003 0.000 0.225 60 N C 0.058 175.566 175.510 -0.004 0.000 1.144 60 N CA -0.096 52.959 53.050 0.008 0.000 0.837 60 N CB -0.490 38.009 38.487 0.020 0.000 1.069 60 N HN 0.767 nan 8.380 nan 0.000 0.487 61 R N -0.820 119.671 120.500 -0.015 0.000 2.811 61 R HA 0.139 4.481 4.340 0.003 0.000 0.265 61 R C 0.163 176.374 176.300 -0.148 0.000 1.026 61 R CA 0.649 56.725 56.100 -0.040 0.000 1.142 61 R CB -0.197 30.039 30.300 -0.108 0.000 1.027 61 R HN 0.240 nan 8.270 nan 0.000 0.465 62 T N -3.107 111.370 114.554 -0.127 0.000 2.969 62 T HA -0.003 4.349 4.350 0.003 0.000 0.258 62 T C 1.503 176.110 174.700 -0.154 0.000 0.962 62 T CA -0.344 61.675 62.100 -0.136 0.000 0.903 62 T CB -0.165 68.678 68.868 -0.042 0.000 1.177 62 T HN 0.827 nan 8.240 nan 0.000 0.511 63 W N 2.580 123.878 121.300 -0.003 0.000 2.331 63 W HA 0.031 4.692 4.660 0.001 0.000 0.291 63 W C -1.853 174.664 176.519 -0.003 0.000 1.214 63 W CA 0.981 58.320 57.345 -0.009 0.000 1.228 63 W CB -2.234 27.229 29.460 0.004 0.000 1.135 63 W HN 0.316 nan 8.180 nan 0.000 0.537 64 P HA -0.065 nan 4.420 nan 0.000 0.226 64 P C 0.742 177.919 177.300 -0.205 0.000 1.153 64 P CA 1.675 64.439 63.100 -0.559 0.000 0.777 64 P CB -0.219 31.008 31.700 -0.789 0.000 0.794 65 D N -1.690 118.609 120.400 -0.168 0.000 2.363 65 D HA 0.014 4.655 4.640 0.003 0.000 0.214 65 D C 0.200 176.475 176.300 -0.041 0.000 1.093 65 D CA 0.201 54.147 54.000 -0.089 0.000 0.837 65 D CB 0.342 41.084 40.800 -0.096 0.000 0.948 65 D HN -0.049 nan 8.370 nan 0.000 0.507 66 R N 1.047 121.542 120.500 -0.009 0.000 2.310 66 R HA 0.423 4.765 4.340 0.003 0.000 0.324 66 R C -0.755 175.553 176.300 0.013 0.000 0.955 66 R CA -0.415 55.682 56.100 -0.005 0.000 0.830 66 R CB 0.489 30.785 30.300 -0.006 0.000 1.154 66 R HN -0.164 nan 8.270 nan 0.000 0.458 67 V N 6.631 126.543 119.914 -0.003 0.000 2.546 67 V HA 0.415 4.537 4.120 0.003 0.000 0.284 67 V C 1.060 177.140 176.094 -0.023 0.000 1.050 67 V CA -0.636 61.669 62.300 0.008 0.000 0.981 67 V CB 1.392 33.222 31.823 0.013 0.000 0.990 67 V HN 0.798 nan 8.190 nan 0.000 0.474 68 I N 4.816 125.383 120.570 -0.005 0.000 2.648 68 I HA 0.110 4.281 4.170 0.003 0.000 0.284 68 I C 0.758 176.881 176.117 0.011 0.000 1.153 68 I CA 0.417 61.697 61.300 -0.034 0.000 1.426 68 I CB 0.677 38.733 38.000 0.092 0.000 1.381 68 I HN 0.885 nan 8.210 nan 0.000 0.571 69 D N 3.365 123.760 120.400 -0.008 0.000 2.525 69 D HA 0.165 4.807 4.640 0.003 0.000 0.231 69 D C 0.364 176.693 176.300 0.048 0.000 1.216 69 D CA -0.078 53.935 54.000 0.021 0.000 0.813 69 D CB 0.334 41.132 40.800 -0.003 0.000 1.108 69 D HN 0.421 nan 8.370 nan 0.000 0.524 70 R N 0.446 120.997 120.500 0.084 0.000 2.725 70 R HA 0.871 5.212 4.340 0.003 0.000 0.277 70 R C -0.337 176.081 176.300 0.197 0.000 0.987 70 R CA -0.386 55.781 56.100 0.111 0.000 0.901 70 R CB 0.456 30.804 30.300 0.080 0.000 1.207 70 R HN 0.306 nan 8.270 nan 0.000 0.463 71 A N 3.843 126.716 122.820 0.088 0.000 2.498 71 A HA 0.556 4.878 4.320 0.003 0.000 0.239 71 A C -1.728 175.644 177.584 -0.355 0.000 1.068 71 A CA -0.792 51.185 52.037 -0.101 0.000 0.766 71 A CB -0.193 18.788 19.000 -0.031 0.000 1.003 71 A HN 0.730 nan 8.150 nan 0.000 0.497 72 P HA 0.204 nan 4.420 nan 0.000 0.275 72 P C -0.362 176.421 177.300 -0.862 0.000 1.266 72 P CA -0.569 61.891 63.100 -1.067 0.000 0.793 72 P CB 0.432 31.159 31.700 -1.623 0.000 1.074 73 L N 1.358 122.285 121.223 -0.494 0.000 2.477 73 L HA 0.161 4.503 4.340 0.003 0.000 0.272 73 L C -0.661 176.028 176.870 -0.302 0.000 1.157 73 L CA -0.014 54.635 54.840 -0.319 0.000 0.889 73 L CB -0.878 41.096 42.059 -0.143 0.000 1.158 73 L HN 0.248 nan 8.230 nan 0.000 0.473 74 W N 4.862 126.147 121.300 -0.026 0.000 2.376 74 W HA 0.532 5.193 4.660 0.001 0.000 0.322 74 W C -0.161 176.390 176.519 0.053 0.000 1.160 74 W CA -0.662 56.706 57.345 0.039 0.000 1.218 74 W CB 1.222 30.808 29.460 0.208 0.000 1.205 74 W HN 0.654 nan 8.180 nan 0.000 0.559 75 C N 3.359 122.812 119.300 0.255 0.000 2.431 75 C HA 0.847 5.308 4.460 0.003 0.000 0.321 75 C C 0.022 175.003 174.990 -0.015 0.000 1.202 75 C CA -0.611 58.474 59.018 0.111 0.000 1.398 75 C CB -0.603 27.168 27.740 0.051 0.000 2.047 75 C HN 0.749 nan 8.230 nan 0.000 0.465 76 A N 4.560 127.294 122.820 -0.143 0.000 2.276 76 A HA 0.551 4.872 4.320 0.003 0.000 0.300 76 A C 0.577 178.083 177.584 -0.130 0.000 1.235 76 A CA 0.023 51.882 52.037 -0.297 0.000 0.867 76 A CB 0.523 19.165 19.000 -0.596 0.000 1.137 76 A HN 1.939 nan 8.150 nan 0.000 0.527 77 V N 0.067 119.917 119.914 -0.106 0.000 3.214 77 V HA 0.170 4.292 4.120 0.003 0.000 0.330 77 V C 0.535 176.617 176.094 -0.020 0.000 1.403 77 V CA 0.526 62.813 62.300 -0.022 0.000 1.143 77 V CB -0.711 31.128 31.823 0.028 0.000 1.098 77 V HN 0.650 nan 8.190 nan 0.000 0.463 78 D N 1.804 122.169 120.400 -0.058 0.000 2.158 78 D HA -0.171 4.471 4.640 0.003 0.000 0.197 78 D C 1.755 178.047 176.300 -0.014 0.000 0.995 78 D CA 1.840 55.815 54.000 -0.042 0.000 0.846 78 D CB -0.250 40.510 40.800 -0.067 0.000 0.941 78 D HN 0.506 nan 8.370 nan 0.000 0.456 79 L N -0.545 120.682 121.223 0.006 0.000 2.599 79 L HA 0.114 4.456 4.340 0.003 0.000 0.230 79 L C 2.139 179.027 176.870 0.029 0.000 1.141 79 L CA 0.119 54.958 54.840 -0.001 0.000 0.877 79 L CB 0.116 42.203 42.059 0.046 0.000 1.009 79 L HN -0.009 nan 8.230 nan 0.000 0.447 80 R N -0.585 119.946 120.500 0.052 0.000 4.019 80 R HA 0.010 4.352 4.340 0.003 0.000 0.140 80 R C 1.349 177.693 176.300 0.074 0.000 1.486 80 R CA 0.404 56.552 56.100 0.079 0.000 1.119 80 R CB -0.593 29.758 30.300 0.085 0.000 1.357 80 R HN -0.054 nan 8.270 nan 0.000 0.449 81 D N 0.255 120.699 120.400 0.073 0.000 2.123 81 D HA -0.087 4.554 4.640 0.003 0.000 0.196 81 D C 1.549 177.896 176.300 0.078 0.000 0.992 81 D CA 1.764 55.823 54.000 0.097 0.000 0.833 81 D CB -0.324 40.566 40.800 0.150 0.000 0.954 81 D HN 0.508 nan 8.370 nan 0.000 0.455 82 G N 0.170 108.996 108.800 0.043 0.000 2.414 82 G HA2 -0.322 3.640 3.960 0.003 0.000 0.215 82 G HA3 -0.322 3.640 3.960 0.003 0.000 0.215 82 G C 1.718 176.631 174.900 0.022 0.000 1.188 82 G CA 0.937 46.053 45.100 0.027 0.000 0.783 82 G HN 0.293 nan 8.290 nan 0.000 0.537 83 N N 0.666 119.375 118.700 0.015 0.000 2.069 83 N HA -0.100 4.642 4.740 0.003 0.000 0.191 83 N C 2.577 178.102 175.510 0.025 0.000 1.031 83 N CA 2.260 55.311 53.050 0.003 0.000 0.852 83 N CB -0.554 37.925 38.487 -0.014 0.000 1.018 83 N HN 0.368 nan 8.380 nan 0.000 0.423 84 Q N -0.461 119.372 119.800 0.055 0.000 2.368 84 Q HA 0.083 4.425 4.340 0.003 0.000 0.210 84 Q C 1.939 177.969 176.000 0.050 0.000 0.982 84 Q CA 1.748 57.593 55.803 0.070 0.000 0.884 84 Q CB -0.991 27.810 28.738 0.105 0.000 0.933 84 Q HN 0.605 nan 8.270 nan 0.000 0.460 85 A N -0.837 122.008 122.820 0.041 0.000 2.303 85 A HA 0.492 4.814 4.320 0.003 0.000 0.217 85 A C 0.837 178.434 177.584 0.021 0.000 1.205 85 A CA -0.299 51.759 52.037 0.036 0.000 0.875 85 A CB 0.313 19.341 19.000 0.048 0.000 0.910 85 A HN 0.504 nan 8.150 nan 0.000 0.501 86 L N 0.209 121.439 121.223 0.012 0.000 2.371 86 L HA 0.271 4.613 4.340 0.003 0.000 0.272 86 L C 1.246 178.114 176.870 -0.002 0.000 1.124 86 L CA -0.497 54.343 54.840 -0.001 0.000 0.816 86 L CB 0.882 42.931 42.059 -0.017 0.000 1.129 86 L HN 0.262 nan 8.230 nan 0.000 0.448 87 I N 0.443 121.010 120.570 -0.005 0.000 2.151 87 I HA -0.234 3.937 4.170 0.003 0.000 0.243 87 I C 0.259 176.369 176.117 -0.011 0.000 1.080 87 I CA 1.514 62.810 61.300 -0.006 0.000 1.339 87 I CB -0.151 37.845 38.000 -0.007 0.000 1.039 87 I HN 0.641 nan 8.210 nan 0.000 0.409 88 D N 1.468 121.856 120.400 -0.020 0.000 2.453 88 D HA 0.315 4.957 4.640 0.003 0.000 0.238 88 D C -2.297 173.981 176.300 -0.038 0.000 1.088 88 D CA -1.310 52.674 54.000 -0.027 0.000 0.854 88 D CB 1.117 41.896 40.800 -0.035 0.000 1.076 88 D HN -0.035 nan 8.370 nan 0.000 0.533 89 P HA 0.015 nan 4.420 nan 0.000 0.268 89 P C 0.344 177.606 177.300 -0.063 0.000 1.208 89 P CA -0.061 63.017 63.100 -0.036 0.000 0.777 89 P CB 0.662 32.351 31.700 -0.018 0.000 0.875 90 M N 1.232 120.779 119.600 -0.088 0.000 2.252 90 M HA 0.049 4.530 4.480 0.003 0.000 0.348 90 M C 0.929 177.166 176.300 -0.106 0.000 1.334 90 M CA 0.326 55.550 55.300 -0.128 0.000 1.071 90 M CB 0.030 32.531 32.600 -0.166 0.000 1.763 90 M HN 0.418 nan 8.290 nan 0.000 0.452 91 S N 3.459 119.102 115.700 -0.096 0.000 2.600 91 S HA 0.206 4.677 4.470 0.003 0.000 0.265 91 S C -2.007 172.560 174.600 -0.055 0.000 1.325 91 S CA -1.204 56.964 58.200 -0.052 0.000 1.002 91 S CB 0.174 63.357 63.200 -0.027 0.000 0.921 91 S HN 0.465 nan 8.310 nan 0.000 0.554 92 P HA -0.116 nan 4.420 nan 0.000 0.216 92 P C 1.490 178.816 177.300 0.043 0.000 1.150 92 P CA 2.000 65.118 63.100 0.030 0.000 0.843 92 P CB -0.240 31.508 31.700 0.080 0.000 0.787 93 A N -0.488 122.367 122.820 0.059 0.000 1.897 93 A HA -0.161 4.161 4.320 0.003 0.000 0.215 93 A C 2.246 179.902 177.584 0.120 0.000 1.181 93 A CA 1.275 53.379 52.037 0.111 0.000 0.620 93 A CB -0.914 18.171 19.000 0.142 0.000 0.821 93 A HN 0.058 nan 8.150 nan 0.000 0.443 94 R N -0.197 120.314 120.500 0.017 0.000 2.092 94 R HA -0.057 4.285 4.340 0.003 0.000 0.231 94 R C 2.144 178.394 176.300 -0.084 0.000 1.119 94 R CA 1.351 57.396 56.100 -0.092 0.000 0.970 94 R CB -0.186 29.936 30.300 -0.297 0.000 0.864 94 R HN 0.436 nan 8.270 nan 0.000 0.440 95 K N 0.135 120.431 120.400 -0.174 0.000 2.026 95 K HA -0.161 4.161 4.320 0.003 0.000 0.208 95 K C 2.157 178.652 176.600 -0.175 0.000 1.048 95 K CA 1.093 57.144 56.287 -0.393 0.000 0.929 95 K CB -0.134 31.833 32.500 -0.888 0.000 0.713 95 K HN -0.081 nan 8.250 nan 0.000 0.439 96 R N 1.719 122.256 120.500 0.061 0.000 2.081 96 R HA -0.126 4.216 4.340 0.003 0.000 0.235 96 R C 2.134 178.599 176.300 0.276 0.000 1.131 96 R CA 1.589 57.873 56.100 0.308 0.000 0.960 96 R CB -0.483 29.977 30.300 0.265 0.000 0.856 96 R HN 0.007 nan 8.270 nan 0.000 0.436 97 R N -0.372 120.253 120.500 0.208 0.000 2.081 97 R HA -0.083 4.259 4.340 0.003 0.000 0.235 97 R C 2.086 178.493 176.300 0.179 0.000 1.131 97 R CA 1.960 58.186 56.100 0.209 0.000 0.960 97 R CB -0.537 29.954 30.300 0.318 0.000 0.856 97 R HN 0.303 nan 8.270 nan 0.000 0.436 98 M N -0.655 119.033 119.600 0.147 0.000 2.099 98 M HA -0.030 4.451 4.480 0.003 0.000 0.262 98 M C 1.757 178.136 176.300 0.132 0.000 1.067 98 M CA 1.591 56.952 55.300 0.102 0.000 1.124 98 M CB -0.727 31.895 32.600 0.036 0.000 1.353 98 M HN 0.231 nan 8.290 nan 0.000 0.410 99 F N 1.068 121.065 119.950 0.079 0.000 2.091 99 F HA -0.278 4.252 4.527 0.004 0.000 0.299 99 F C 1.738 177.599 175.800 0.101 0.000 1.103 99 F CA 2.347 60.427 58.000 0.133 0.000 1.228 99 F CB -0.547 38.634 39.000 0.301 0.000 0.984 99 F HN 0.246 nan 8.300 nan 0.000 0.477 100 D N 0.201 120.705 120.400 0.172 0.000 2.144 100 D HA -0.161 4.480 4.640 0.003 0.000 0.200 100 D C 2.241 178.525 176.300 -0.027 0.000 0.978 100 D CA 1.294 55.328 54.000 0.055 0.000 0.833 100 D CB -0.623 40.253 40.800 0.127 0.000 0.961 100 D HN 0.354 nan 8.370 nan 0.000 0.470 101 L N 0.618 121.846 121.223 0.008 0.000 2.046 101 L HA -0.119 4.222 4.340 0.003 0.000 0.208 101 L C 2.140 178.989 176.870 -0.035 0.000 1.077 101 L CA 1.396 56.232 54.840 -0.005 0.000 0.747 101 L CB -0.456 41.622 42.059 0.031 0.000 0.896 101 L HN -0.016 nan 8.230 nan 0.000 0.432 102 L N -1.797 119.392 121.223 -0.057 0.000 2.056 102 L HA -0.178 4.164 4.340 0.003 0.000 0.207 102 L C 2.454 179.305 176.870 -0.031 0.000 1.078 102 L CA 0.926 55.763 54.840 -0.005 0.000 0.749 102 L CB -0.714 41.270 42.059 -0.125 0.000 0.901 102 L HN 0.106 nan 8.230 nan 0.000 0.433 103 V N -0.058 119.721 119.914 -0.226 0.000 2.287 103 V HA -0.328 3.793 4.120 0.003 0.000 0.248 103 V C 2.661 178.670 176.094 -0.142 0.000 1.053 103 V CA 1.957 64.125 62.300 -0.220 0.000 1.027 103 V CB -0.594 31.053 31.823 -0.294 0.000 0.646 103 V HN 0.410 nan 8.190 nan 0.000 0.447 104 R N -0.973 119.455 120.500 -0.120 0.000 2.148 104 R HA -0.015 4.327 4.340 0.003 0.000 0.223 104 R C 2.250 178.455 176.300 -0.158 0.000 1.088 104 R CA 1.172 57.205 56.100 -0.112 0.000 0.985 104 R CB -0.147 30.106 30.300 -0.079 0.000 0.880 104 R HN 0.460 nan 8.270 nan 0.000 0.451 105 M N -1.650 117.840 119.600 -0.183 0.000 2.394 105 M HA 0.064 4.545 4.480 0.003 0.000 0.264 105 M C 1.063 177.092 176.300 -0.451 0.000 1.073 105 M CA 1.406 56.508 55.300 -0.331 0.000 1.111 105 M CB 0.650 33.066 32.600 -0.307 0.000 1.401 105 M HN 0.463 nan 8.290 nan 0.000 0.448 106 G N -0.830 107.760 108.800 -0.350 0.000 2.175 106 G HA2 -0.200 3.762 3.960 0.003 0.000 0.182 106 G HA3 -0.200 3.762 3.960 0.003 0.000 0.182 106 G C -0.370 174.323 174.900 -0.344 0.000 1.003 106 G CA -0.798 44.102 45.100 -0.333 0.000 0.666 106 G HN 0.385 nan 8.290 nan 0.000 0.506 107 Y N 1.066 121.279 120.300 -0.144 0.000 2.526 107 Y HA 0.396 4.949 4.550 0.004 0.000 0.330 107 Y C 1.635 177.491 175.900 -0.073 0.000 1.156 107 Y CA 0.243 58.291 58.100 -0.088 0.000 1.419 107 Y CB 0.860 39.246 38.460 -0.124 0.000 1.250 107 Y HN -0.085 nan 8.280 nan 0.000 0.540 108 K N 1.966 122.438 120.400 0.120 0.000 2.360 108 K HA 0.145 4.467 4.320 0.003 0.000 0.196 108 K C -0.467 176.169 176.600 0.060 0.000 1.049 108 K CA 0.333 56.652 56.287 0.052 0.000 1.049 108 K CB 0.660 33.177 32.500 0.028 0.000 0.881 108 K HN 0.730 nan 8.250 nan 0.000 0.542 109 E N 1.021 121.281 120.200 0.100 0.000 2.218 109 E HA 0.445 4.797 4.350 0.003 0.000 0.263 109 E C -0.838 175.808 176.600 0.076 0.000 0.879 109 E CA -0.403 56.042 56.400 0.076 0.000 0.762 109 E CB 2.165 31.900 29.700 0.058 0.000 1.166 109 E HN -0.052 nan 8.360 nan 0.000 0.415 110 I N 2.008 122.627 120.570 0.082 0.000 2.468 110 I HA 0.129 4.300 4.170 0.003 0.000 0.285 110 I C -0.247 175.950 176.117 0.133 0.000 1.039 110 I CA -0.549 60.804 61.300 0.089 0.000 1.074 110 I CB 2.075 40.153 38.000 0.130 0.000 1.228 110 I HN 0.480 nan 8.210 nan 0.000 0.436 111 E N 5.521 125.783 120.200 0.103 0.000 2.166 111 E HA 0.149 4.501 4.350 0.003 0.000 0.279 111 E C 0.711 177.406 176.600 0.159 0.000 1.095 111 E CA -0.265 56.209 56.400 0.124 0.000 0.888 111 E CB 1.032 30.800 29.700 0.113 0.000 1.041 111 E HN 0.605 nan 8.360 nan 0.000 0.414 112 V N 1.611 121.643 119.914 0.197 0.000 3.650 112 V HA 0.504 4.625 4.120 0.003 0.000 0.271 112 V C 0.703 176.953 176.094 0.260 0.000 1.281 112 V CA 0.655 63.126 62.300 0.285 0.000 1.120 112 V CB -0.199 31.796 31.823 0.287 0.000 0.856 112 V HN 0.677 nan 8.190 nan 0.000 0.443 113 G N -0.576 108.342 108.800 0.197 0.000 2.345 113 G HA2 0.293 4.255 3.960 0.003 0.000 0.285 113 G HA3 0.293 4.255 3.960 0.003 0.000 0.285 113 G C -1.361 173.694 174.900 0.259 0.000 1.297 113 G CA -0.297 44.932 45.100 0.215 0.000 0.875 113 G HN 0.183 nan 8.290 nan 0.000 0.506 114 F N 2.572 122.588 119.950 0.109 0.000 2.542 114 F HA 0.362 4.891 4.527 0.003 0.000 0.323 114 F C -1.361 174.521 175.800 0.136 0.000 1.411 114 F CA -2.280 55.790 58.000 0.116 0.000 1.124 114 F CB 1.803 40.866 39.000 0.105 0.000 1.331 114 F HN 0.245 nan 8.300 nan 0.000 0.560 115 P HA -0.177 nan 4.420 nan 0.000 0.220 115 P C 1.579 179.075 177.300 0.327 0.000 1.148 115 P CA 1.344 64.616 63.100 0.286 0.000 0.803 115 P CB 0.035 31.829 31.700 0.157 0.000 0.782 116 S N -0.468 115.398 115.700 0.278 0.000 2.453 116 S HA 0.063 4.535 4.470 0.003 0.000 0.231 116 S C 2.013 176.599 174.600 -0.024 0.000 1.005 116 S CA 0.847 59.153 58.200 0.177 0.000 0.949 116 S CB -0.935 62.390 63.200 0.208 0.000 0.774 116 S HN 0.146 nan 8.310 nan 0.000 0.510 117 A N 1.040 123.715 122.820 -0.241 0.000 2.115 117 A HA 0.513 4.835 4.320 0.003 0.000 0.211 117 A C 1.068 178.505 177.584 -0.245 0.000 1.169 117 A CA 0.418 52.161 52.037 -0.489 0.000 0.787 117 A CB 0.023 18.173 19.000 -1.417 0.000 0.858 117 A HN 0.826 nan 8.150 nan 0.000 0.474 118 S N -1.813 113.832 115.700 -0.091 0.000 2.546 118 S HA 0.433 4.904 4.470 0.003 0.000 0.272 118 S C -0.012 174.638 174.600 0.083 0.000 1.140 118 S CA -0.360 57.835 58.200 -0.008 0.000 0.920 118 S CB 1.700 64.902 63.200 0.004 0.000 1.083 118 S HN 0.047 nan 8.310 nan 0.000 0.476 119 Q N 2.241 122.078 119.800 0.062 0.000 2.172 119 Q HA -0.025 4.316 4.340 0.003 0.000 0.200 119 Q C 1.941 178.033 176.000 0.153 0.000 0.964 119 Q CA 2.685 58.544 55.803 0.092 0.000 0.855 119 Q CB -0.852 27.898 28.738 0.020 0.000 0.918 119 Q HN 1.004 nan 8.270 nan 0.000 0.444 120 T N -2.054 112.568 114.554 0.113 0.000 2.821 120 T HA -0.118 4.234 4.350 0.003 0.000 0.267 120 T C 1.258 176.061 174.700 0.172 0.000 1.046 120 T CA 1.327 63.499 62.100 0.119 0.000 1.139 120 T CB -0.359 68.551 68.868 0.069 0.000 0.871 120 T HN 0.153 nan 8.240 nan 0.000 0.454 121 D N 0.480 120.986 120.400 0.177 0.000 2.097 121 D HA 0.038 4.680 4.640 0.003 0.000 0.197 121 D C 1.589 178.028 176.300 0.231 0.000 0.984 121 D CA 0.531 54.662 54.000 0.219 0.000 0.826 121 D CB -0.639 40.286 40.800 0.208 0.000 0.973 121 D HN 0.392 nan 8.370 nan 0.000 0.460 122 F N 1.704 121.716 119.950 0.103 0.000 2.065 122 F HA -0.263 4.266 4.527 0.003 0.000 0.298 122 F C 1.930 177.768 175.800 0.063 0.000 1.112 122 F CA 1.645 59.690 58.000 0.076 0.000 1.212 122 F CB 0.038 39.071 39.000 0.056 0.000 0.975 122 F HN -0.146 nan 8.300 nan 0.000 0.476 123 D N -0.154 120.436 120.400 0.317 0.000 2.092 123 D HA -0.240 4.401 4.640 0.003 0.000 0.193 123 D C 2.065 178.431 176.300 0.110 0.000 0.994 123 D CA 1.564 55.690 54.000 0.211 0.000 0.828 123 D CB -0.890 40.025 40.800 0.191 0.000 0.963 123 D HN 0.315 nan 8.370 nan 0.000 0.450 124 F N 1.802 121.753 119.950 0.002 0.000 2.065 124 F HA -0.272 4.256 4.527 0.002 0.000 0.298 124 F C 2.272 177.997 175.800 -0.125 0.000 1.112 124 F CA 1.202 59.169 58.000 -0.055 0.000 1.212 124 F CB -0.592 38.383 39.000 -0.042 0.000 0.975 124 F HN -0.184 nan 8.300 nan 0.000 0.476 125 V N 1.099 120.834 119.914 -0.297 0.000 2.380 125 V HA -0.317 3.804 4.120 0.003 0.000 0.251 125 V C 2.605 178.466 176.094 -0.389 0.000 1.063 125 V CA 2.036 64.091 62.300 -0.409 0.000 1.055 125 V CB -0.833 30.817 31.823 -0.289 0.000 0.657 125 V HN 0.274 nan 8.190 nan 0.000 0.455 126 R N 0.115 120.435 120.500 -0.300 0.000 2.057 126 R HA -0.084 4.258 4.340 0.003 0.000 0.229 126 R C 2.388 178.573 176.300 -0.192 0.000 1.136 126 R CA 1.351 57.326 56.100 -0.208 0.000 0.952 126 R CB -1.030 29.218 30.300 -0.087 0.000 0.848 126 R HN 0.578 nan 8.270 nan 0.000 0.430 127 E N 1.521 121.608 120.200 -0.188 0.000 2.065 127 E HA -0.186 4.166 4.350 0.003 0.000 0.201 127 E C 2.074 178.512 176.600 -0.271 0.000 1.016 127 E CA 1.798 58.090 56.400 -0.179 0.000 0.818 127 E CB -0.522 29.107 29.700 -0.118 0.000 0.749 127 E HN 0.588 nan 8.360 nan 0.000 0.453 128 I N -1.960 118.311 120.570 -0.498 0.000 2.315 128 I HA -0.103 4.068 4.170 0.003 0.000 0.248 128 I C 2.563 178.489 176.117 -0.318 0.000 1.117 128 I CA 1.691 62.687 61.300 -0.506 0.000 1.404 128 I CB -0.510 36.943 38.000 -0.912 0.000 1.071 128 I HN 0.166 nan 8.210 nan 0.000 0.419 129 I N 1.501 121.896 120.570 -0.292 0.000 2.202 129 I HA -0.211 3.960 4.170 0.003 0.000 0.242 129 I C 2.622 178.661 176.117 -0.130 0.000 1.091 129 I CA 1.681 62.866 61.300 -0.192 0.000 1.368 129 I CB -0.409 37.483 38.000 -0.180 0.000 1.058 129 I HN 0.251 nan 8.210 nan 0.000 0.410 130 E N 0.357 120.485 120.200 -0.120 0.000 2.152 130 E HA -0.196 4.155 4.350 0.003 0.000 0.192 130 E C 1.675 178.239 176.600 -0.060 0.000 0.983 130 E CA 0.727 57.084 56.400 -0.072 0.000 0.818 130 E CB 0.022 29.690 29.700 -0.053 0.000 0.758 130 E HN 0.547 nan 8.360 nan 0.000 0.467 131 Q N -0.284 119.470 119.800 -0.077 0.000 2.280 131 Q HA 0.119 4.460 4.340 0.003 0.000 0.202 131 Q C 0.522 176.496 176.000 -0.043 0.000 0.903 131 Q CA 0.234 56.007 55.803 -0.050 0.000 0.948 131 Q CB 0.803 29.514 28.738 -0.045 0.000 1.058 131 Q HN 0.313 nan 8.270 nan 0.000 0.493 132 G N 1.121 109.888 108.800 -0.054 0.000 2.305 132 G HA2 -0.351 3.611 3.960 0.003 0.000 0.287 132 G HA3 -0.351 3.611 3.960 0.003 0.000 0.287 132 G C 0.666 175.556 174.900 -0.016 0.000 1.036 132 G CA 0.348 45.426 45.100 -0.037 0.000 0.887 132 G HN 0.498 nan 8.290 nan 0.000 0.505 133 A N -0.991 121.811 122.820 -0.030 0.000 2.206 133 A HA 0.527 4.848 4.320 0.003 0.000 0.211 133 A C 1.128 178.797 177.584 0.142 0.000 1.158 133 A CA 0.643 52.706 52.037 0.043 0.000 0.761 133 A CB 0.062 19.067 19.000 0.007 0.000 0.801 133 A HN 0.770 nan 8.150 nan 0.000 0.473 134 I N 1.498 122.113 120.570 0.074 0.000 2.297 134 I HA 0.256 4.428 4.170 0.003 0.000 0.291 134 I C -2.289 173.869 176.117 0.069 0.000 1.033 134 I CA -2.075 59.308 61.300 0.139 0.000 1.253 134 I CB 1.082 39.131 38.000 0.081 0.000 1.396 134 I HN -0.010 nan 8.210 nan 0.000 0.476 135 P HA 0.061 nan 4.420 nan 0.000 0.269 135 P C 0.893 178.195 177.300 0.003 0.000 1.211 135 P CA 0.232 63.343 63.100 0.018 0.000 0.781 135 P CB 0.535 32.234 31.700 -0.001 0.000 0.877 136 D N 1.124 121.518 120.400 -0.010 0.000 2.178 136 D HA -0.181 4.460 4.640 0.003 0.000 0.201 136 D C 0.992 177.279 176.300 -0.023 0.000 0.980 136 D CA 1.534 55.522 54.000 -0.020 0.000 0.842 136 D CB -0.676 40.111 40.800 -0.021 0.000 0.948 136 D HN 0.639 nan 8.370 nan 0.000 0.472 137 D N -0.820 119.568 120.400 -0.020 0.000 2.325 137 D HA 0.169 4.811 4.640 0.003 0.000 0.225 137 D C 0.037 176.327 176.300 -0.017 0.000 1.096 137 D CA -0.174 53.812 54.000 -0.022 0.000 0.844 137 D CB 0.119 40.904 40.800 -0.025 0.000 0.925 137 D HN 0.349 nan 8.370 nan 0.000 0.513 138 V N 0.495 120.403 119.914 -0.010 0.000 2.459 138 V HA 0.382 4.504 4.120 0.003 0.000 0.295 138 V C -0.059 176.041 176.094 0.010 0.000 1.029 138 V CA -0.494 61.809 62.300 0.005 0.000 0.874 138 V CB 1.945 33.775 31.823 0.012 0.000 0.985 138 V HN 0.045 nan 8.190 nan 0.000 0.438 139 T N 6.221 120.783 114.554 0.014 0.000 2.809 139 T HA 0.503 4.854 4.350 0.003 0.000 0.296 139 T C -0.019 174.701 174.700 0.032 0.000 1.015 139 T CA -0.185 61.914 62.100 -0.002 0.000 0.954 139 T CB 0.545 69.398 68.868 -0.024 0.000 0.950 139 T HN 0.621 nan 8.240 nan 0.000 0.450 140 I N 1.397 121.989 120.570 0.037 0.000 2.696 140 I HA 0.478 4.650 4.170 0.003 0.000 0.284 140 I C 0.015 176.156 176.117 0.041 0.000 1.129 140 I CA -0.560 60.784 61.300 0.072 0.000 1.410 140 I CB 0.669 38.695 38.000 0.043 0.000 1.399 140 I HN 0.509 nan 8.210 nan 0.000 0.579 141 Q N 5.067 124.913 119.800 0.076 0.000 2.353 141 Q HA 0.682 5.024 4.340 0.003 0.000 0.268 141 Q C -1.504 174.557 176.000 0.101 0.000 1.045 141 Q CA -0.925 54.926 55.803 0.080 0.000 0.811 141 Q CB 2.342 31.132 28.738 0.085 0.000 1.305 141 Q HN 0.766 nan 8.270 nan 0.000 0.447 142 V N 1.648 121.625 119.914 0.106 0.000 2.656 142 V HA 0.617 4.739 4.120 0.003 0.000 0.307 142 V C -0.860 175.310 176.094 0.127 0.000 1.051 142 V CA -1.145 61.224 62.300 0.114 0.000 0.893 142 V CB 1.414 33.288 31.823 0.086 0.000 0.999 142 V HN 0.789 nan 8.190 nan 0.000 0.426 143 L N 3.177 124.431 121.223 0.052 0.000 2.350 143 L HA 0.864 5.206 4.340 0.003 0.000 0.275 143 L C 0.199 177.063 176.870 -0.010 0.000 1.099 143 L CA 0.959 55.709 54.840 -0.149 0.000 0.808 143 L CB 1.636 43.393 42.059 -0.503 0.000 1.149 143 L HN 1.120 nan 8.230 nan 0.000 0.442 144 T N 2.856 117.458 114.554 0.080 0.000 2.894 144 T HA 0.405 4.756 4.350 0.003 0.000 0.309 144 T C -0.823 174.031 174.700 0.256 0.000 1.208 144 T CA -0.563 61.733 62.100 0.327 0.000 1.016 144 T CB 1.156 70.216 68.868 0.319 0.000 1.192 144 T HN 0.744 nan 8.240 nan 0.000 0.491 145 Q N 0.694 120.657 119.800 0.272 0.000 2.316 145 Q HA 0.325 4.666 4.340 0.003 0.000 0.215 145 Q C 0.582 176.609 176.000 0.045 0.000 1.020 145 Q CA -0.724 55.045 55.803 -0.057 0.000 0.970 145 Q CB 0.651 29.399 28.738 0.017 0.000 1.187 145 Q HN 0.745 nan 8.270 nan 0.000 0.546 146 C N 0.581 119.877 119.300 -0.006 0.000 2.697 146 C HA 0.167 4.628 4.460 0.003 0.000 0.267 146 C C 1.053 176.044 174.990 0.002 0.000 1.278 146 C CA -0.237 58.795 59.018 0.023 0.000 1.708 146 C CB -1.423 26.338 27.740 0.035 0.000 1.860 146 C HN 0.647 nan 8.230 nan 0.000 0.589 147 R N 2.417 122.930 120.500 0.023 0.000 2.370 147 R HA 0.254 4.596 4.340 0.003 0.000 0.309 147 R C -1.061 175.251 176.300 0.020 0.000 1.059 147 R CA -0.724 55.388 56.100 0.020 0.000 0.981 147 R CB -1.053 29.268 30.300 0.036 0.000 0.972 147 R HN 0.404 nan 8.270 nan 0.000 0.437 148 P HA -0.291 nan 4.420 nan 0.000 0.218 148 P C 0.916 178.222 177.300 0.011 0.000 1.148 148 P CA 1.442 64.533 63.100 -0.015 0.000 0.822 148 P CB 0.286 31.966 31.700 -0.034 0.000 0.784 149 E N 0.885 121.098 120.200 0.021 0.000 2.153 149 E HA -0.160 4.191 4.350 0.003 0.000 0.194 149 E C 1.973 178.612 176.600 0.065 0.000 0.988 149 E CA 1.130 57.551 56.400 0.035 0.000 0.811 149 E CB -0.948 28.767 29.700 0.024 0.000 0.746 149 E HN 0.285 nan 8.360 nan 0.000 0.466 150 L N 0.166 121.435 121.223 0.076 0.000 2.162 150 L HA 0.003 4.344 4.340 0.003 0.000 0.205 150 L C 2.759 179.726 176.870 0.163 0.000 1.086 150 L CA 0.490 55.401 54.840 0.118 0.000 0.778 150 L CB -0.271 41.865 42.059 0.128 0.000 0.928 150 L HN 0.053 nan 8.230 nan 0.000 0.446 151 I N -0.020 120.635 120.570 0.141 0.000 2.226 151 I HA -0.267 3.904 4.170 0.003 0.000 0.245 151 I C 2.480 178.753 176.117 0.261 0.000 1.100 151 I CA 1.304 62.720 61.300 0.193 0.000 1.374 151 I CB -0.261 37.795 38.000 0.092 0.000 1.057 151 I HN 0.243 nan 8.210 nan 0.000 0.413 152 E N 0.476 120.762 120.200 0.144 0.000 2.070 152 E HA -0.318 4.034 4.350 0.003 0.000 0.197 152 E C 2.274 179.010 176.600 0.227 0.000 1.004 152 E CA 1.543 58.031 56.400 0.147 0.000 0.805 152 E CB -0.223 29.531 29.700 0.089 0.000 0.744 152 E HN 0.383 nan 8.360 nan 0.000 0.451 153 R N 0.482 121.109 120.500 0.212 0.000 2.189 153 R HA -0.067 4.275 4.340 0.003 0.000 0.218 153 R C 1.997 178.482 176.300 0.307 0.000 1.074 153 R CA 1.515 57.775 56.100 0.267 0.000 0.991 153 R CB -0.014 30.410 30.300 0.208 0.000 0.883 153 R HN 0.019 nan 8.270 nan 0.000 0.457 154 T N 0.217 114.915 114.554 0.241 0.000 2.812 154 T HA -0.046 4.305 4.350 0.003 0.000 0.264 154 T C 1.147 175.846 174.700 -0.001 0.000 1.042 154 T CA 1.236 63.421 62.100 0.141 0.000 1.140 154 T CB -0.213 68.738 68.868 0.138 0.000 0.870 154 T HN 0.143 nan 8.240 nan 0.000 0.445 155 F N 1.703 121.594 119.950 -0.098 0.000 2.234 155 F HA -0.008 4.521 4.527 0.003 0.000 0.299 155 F C 2.661 178.277 175.800 -0.306 0.000 1.087 155 F CA 0.799 58.593 58.000 -0.343 0.000 1.340 155 F CB -0.477 38.167 39.000 -0.593 0.000 1.031 155 F HN 0.169 nan 8.300 nan 0.000 0.500 156 Q N -0.240 119.625 119.800 0.107 0.000 2.083 156 Q HA -0.107 4.234 4.340 0.003 0.000 0.198 156 Q C 2.562 178.606 176.000 0.075 0.000 0.969 156 Q CA 1.204 57.112 55.803 0.175 0.000 0.838 156 Q CB -0.455 28.498 28.738 0.358 0.000 0.900 156 Q HN 0.396 nan 8.270 nan 0.000 0.436 157 A N 0.162 122.938 122.820 -0.074 0.000 1.986 157 A HA -0.222 4.099 4.320 0.003 0.000 0.220 157 A C 2.028 179.420 177.584 -0.321 0.000 1.171 157 A CA 1.436 53.100 52.037 -0.622 0.000 0.640 157 A CB -0.739 17.876 19.000 -0.643 0.000 0.811 157 A HN 0.510 nan 8.150 nan 0.000 0.451 158 C N -0.121 119.099 119.300 -0.133 0.000 2.697 158 C HA 0.296 4.758 4.460 0.003 0.000 0.267 158 C C 1.550 176.517 174.990 -0.038 0.000 1.278 158 C CA -0.164 58.811 59.018 -0.071 0.000 1.708 158 C CB -1.779 26.010 27.740 0.083 0.000 1.860 158 C HN 0.604 nan 8.230 nan 0.000 0.589 159 S N 0.667 116.362 115.700 -0.008 0.000 2.626 159 S HA 0.331 4.802 4.470 0.003 0.000 0.303 159 S C 1.372 175.993 174.600 0.034 0.000 1.256 159 S CA 1.420 59.671 58.200 0.085 0.000 1.069 159 S CB -0.089 63.226 63.200 0.193 0.000 0.807 159 S HN 1.266 nan 8.310 nan 0.000 0.500 160 G N 2.834 111.656 108.800 0.037 0.000 2.179 160 G HA2 -0.135 3.827 3.960 0.003 0.000 0.260 160 G HA3 -0.135 3.827 3.960 0.003 0.000 0.260 160 G C 0.314 175.157 174.900 -0.094 0.000 0.977 160 G CA 0.134 45.224 45.100 -0.016 0.000 0.641 160 G HN 1.611 nan 8.290 nan 0.000 0.533 161 A N 0.536 123.259 122.820 -0.161 0.000 2.462 161 A HA 0.656 4.977 4.320 0.003 0.000 0.243 161 A C -0.152 177.276 177.584 -0.260 0.000 1.076 161 A CA -0.131 51.777 52.037 -0.214 0.000 0.773 161 A CB 0.641 19.485 19.000 -0.259 0.000 1.010 161 A HN 0.114 nan 8.150 nan 0.000 0.493 162 P HA -0.028 nan 4.420 nan 0.000 0.219 162 P C 0.108 177.249 177.300 -0.266 0.000 1.150 162 P CA 1.179 64.163 63.100 -0.193 0.000 0.814 162 P CB 0.133 31.759 31.700 -0.123 0.000 0.787 163 R N -1.498 118.829 120.500 -0.287 0.000 2.680 163 R HA 0.840 5.181 4.340 0.003 0.000 0.269 163 R C -1.812 174.293 176.300 -0.325 0.000 1.026 163 R CA -1.118 54.788 56.100 -0.323 0.000 0.889 163 R CB 1.557 31.742 30.300 -0.192 0.000 1.241 163 R HN -0.122 nan 8.270 nan 0.000 0.463 164 A N 2.258 124.876 122.820 -0.336 0.000 2.604 164 A HA 0.584 4.906 4.320 0.003 0.000 0.295 164 A C -1.329 176.204 177.584 -0.085 0.000 1.067 164 A CA -0.917 51.012 52.037 -0.181 0.000 0.683 164 A CB 1.503 20.398 19.000 -0.176 0.000 1.281 164 A HN 0.648 nan 8.150 nan 0.000 0.407 165 I N 1.563 122.110 120.570 -0.038 0.000 2.321 165 I HA 0.355 4.526 4.170 0.003 0.000 0.291 165 I C -0.481 175.662 176.117 0.044 0.000 0.998 165 I CA -0.757 60.529 61.300 -0.022 0.000 1.227 165 I CB 1.736 39.733 38.000 -0.005 0.000 1.368 165 I HN 0.314 nan 8.210 nan 0.000 0.466 166 V N 6.521 126.463 119.914 0.047 0.000 2.368 166 V HA 0.108 4.229 4.120 0.003 0.000 0.266 166 V C 0.153 176.510 176.094 0.438 0.000 1.045 166 V CA -0.387 62.020 62.300 0.180 0.000 0.899 166 V CB 0.434 32.295 31.823 0.064 0.000 1.006 166 V HN 0.654 nan 8.190 nan 0.000 0.470 167 H N 6.708 125.919 119.070 0.236 0.000 2.623 167 H HA 0.487 5.045 4.556 0.003 0.000 0.299 167 H C -0.783 174.735 175.328 0.317 0.000 1.052 167 H CA -0.891 55.279 56.048 0.203 0.000 1.231 167 H CB 0.651 30.454 29.762 0.069 0.000 1.389 167 H HN 0.622 nan 8.280 nan 0.000 0.469 168 F N 4.516 124.684 119.950 0.365 0.000 2.470 168 F HA 0.520 5.049 4.527 0.003 0.000 0.329 168 F C -1.507 174.496 175.800 0.338 0.000 1.072 168 F CA -1.133 57.023 58.000 0.260 0.000 0.989 168 F CB 0.866 40.013 39.000 0.245 0.000 1.193 168 F HN 0.390 nan 8.300 nan 0.000 0.481 169 Y N 0.483 120.872 120.300 0.148 0.000 2.609 169 Y HA 0.661 5.213 4.550 0.003 0.000 0.336 169 Y C -1.933 174.068 175.900 0.169 0.000 1.129 169 Y CA -1.676 56.432 58.100 0.013 0.000 1.040 169 Y CB 1.454 39.795 38.460 -0.197 0.000 1.310 169 Y HN 0.913 nan 8.280 nan 0.000 0.460 170 N N 0.812 119.583 118.700 0.119 0.000 2.484 170 N HA 0.299 5.040 4.740 0.003 0.000 0.269 170 N C -1.764 173.866 175.510 0.200 0.000 1.237 170 N CA -0.601 52.473 53.050 0.040 0.000 0.838 170 N CB 2.018 40.505 38.487 0.001 0.000 1.593 170 N HN 0.741 nan 8.380 nan 0.000 0.485 171 S N -0.440 115.408 115.700 0.247 0.000 2.531 171 S HA 0.284 4.756 4.470 0.003 0.000 0.279 171 S C 0.794 175.550 174.600 0.260 0.000 1.305 171 S CA 0.308 58.693 58.200 0.309 0.000 1.058 171 S CB -0.259 63.211 63.200 0.449 0.000 0.899 171 S HN 0.682 nan 8.310 nan 0.000 0.493 172 T N 0.341 115.051 114.554 0.261 0.000 3.043 172 T HA 0.217 4.568 4.350 0.003 0.000 0.272 172 T C 0.690 175.564 174.700 0.290 0.000 0.990 172 T CA 0.130 62.408 62.100 0.297 0.000 0.897 172 T CB -0.359 68.676 68.868 0.278 0.000 1.111 172 T HN 0.672 nan 8.240 nan 0.000 0.529 173 S N 1.228 117.063 115.700 0.225 0.000 2.566 173 S HA 0.249 4.721 4.470 0.003 0.000 0.280 173 S C 1.410 176.076 174.600 0.110 0.000 1.343 173 S CA -0.647 57.644 58.200 0.151 0.000 1.036 173 S CB 0.073 63.347 63.200 0.123 0.000 0.866 173 S HN 0.295 nan 8.310 nan 0.000 0.526 174 I N 1.302 121.898 120.570 0.043 0.000 2.194 174 I HA -0.205 3.966 4.170 0.003 0.000 0.246 174 I C 2.390 178.517 176.117 0.017 0.000 1.093 174 I CA 1.407 62.707 61.300 -0.001 0.000 1.355 174 I CB -0.503 37.468 38.000 -0.048 0.000 1.046 174 I HN 0.672 nan 8.210 nan 0.000 0.413 175 L N 0.252 121.489 121.223 0.023 0.000 2.056 175 L HA -0.207 4.134 4.340 0.003 0.000 0.207 175 L C 2.435 179.324 176.870 0.032 0.000 1.078 175 L CA 1.833 56.683 54.840 0.017 0.000 0.749 175 L CB -0.699 41.366 42.059 0.011 0.000 0.901 175 L HN 0.232 nan 8.230 nan 0.000 0.433 176 Q N -0.783 119.064 119.800 0.079 0.000 2.096 176 Q HA -0.118 4.224 4.340 0.003 0.000 0.197 176 Q C 2.285 178.406 176.000 0.202 0.000 0.964 176 Q CA 1.088 56.941 55.803 0.085 0.000 0.838 176 Q CB -0.114 28.731 28.738 0.179 0.000 0.906 176 Q HN 0.530 nan 8.270 nan 0.000 0.444 177 R N 0.550 121.221 120.500 0.285 0.000 2.119 177 R HA -0.198 4.143 4.340 0.003 0.000 0.246 177 R C 2.350 178.746 176.300 0.160 0.000 1.146 177 R CA 1.621 57.886 56.100 0.275 0.000 0.962 177 R CB -0.301 30.075 30.300 0.127 0.000 0.863 177 R HN 0.180 nan 8.270 nan 0.000 0.442 178 R N 0.722 121.267 120.500 0.075 0.000 2.052 178 R HA -0.079 4.262 4.340 0.003 0.000 0.224 178 R C 2.318 178.624 176.300 0.010 0.000 1.149 178 R CA 1.590 57.708 56.100 0.031 0.000 0.962 178 R CB -0.011 30.291 30.300 0.003 0.000 0.856 178 R HN 0.234 nan 8.270 nan 0.000 0.433 179 V N -1.802 118.102 119.914 -0.016 0.000 2.725 179 V HA 0.059 4.180 4.120 0.003 0.000 0.247 179 V C 1.834 177.868 176.094 -0.101 0.000 1.058 179 V CA 0.715 62.987 62.300 -0.047 0.000 1.080 179 V CB 0.407 32.202 31.823 -0.047 0.000 0.713 179 V HN 0.101 nan 8.190 nan 0.000 0.465 180 V N -0.380 119.423 119.914 -0.184 0.000 2.492 180 V HA 0.148 4.270 4.120 0.003 0.000 0.241 180 V C 2.200 177.981 176.094 -0.522 0.000 1.041 180 V CA 1.938 63.982 62.300 -0.426 0.000 1.057 180 V CB -0.557 30.868 31.823 -0.662 0.000 0.711 180 V HN 0.500 nan 8.190 nan 0.000 0.468 181 F N -0.406 119.563 119.950 0.031 0.000 2.714 181 F HA 0.325 4.853 4.527 0.002 0.000 0.294 181 F C 1.146 176.958 175.800 0.020 0.000 1.120 181 F CA -0.349 57.669 58.000 0.030 0.000 1.398 181 F CB -0.034 38.992 39.000 0.042 0.000 1.120 181 F HN -0.062 nan 8.300 nan 0.000 0.589 182 R N 0.569 121.148 120.500 0.132 0.000 3.225 182 R HA -0.155 4.186 4.340 0.003 0.000 0.245 182 R C -0.360 175.999 176.300 0.097 0.000 0.928 182 R CA 0.377 56.529 56.100 0.086 0.000 0.632 182 R CB -2.228 28.099 30.300 0.046 0.000 1.038 182 R HN 0.270 nan 8.270 nan 0.000 0.461 183 A N -0.145 122.748 122.820 0.121 0.000 2.423 183 A HA 0.701 5.023 4.320 0.003 0.000 0.304 183 A C 0.369 177.976 177.584 0.039 0.000 1.104 183 A CA 0.072 52.161 52.037 0.086 0.000 0.757 183 A CB 1.001 20.064 19.000 0.106 0.000 1.313 183 A HN 0.539 nan 8.150 nan 0.000 0.423 184 N N -0.053 118.658 118.700 0.018 0.000 2.381 184 N HA 0.168 4.910 4.740 0.003 0.000 0.241 184 N C 0.909 176.409 175.510 -0.017 0.000 1.279 184 N CA 0.676 53.722 53.050 -0.008 0.000 0.896 184 N CB -0.080 38.408 38.487 0.002 0.000 1.118 184 N HN 0.762 nan 8.380 nan 0.000 0.438 185 R N 0.296 120.753 120.500 -0.072 0.000 2.091 185 R HA -0.130 4.211 4.340 0.003 0.000 0.238 185 R C 2.779 179.162 176.300 0.138 0.000 1.136 185 R CA 1.812 57.864 56.100 -0.081 0.000 0.959 185 R CB -0.460 29.711 30.300 -0.216 0.000 0.856 185 R HN 0.799 nan 8.270 nan 0.000 0.437 186 A N 0.889 123.757 122.820 0.079 0.000 1.908 186 A HA -0.253 4.069 4.320 0.003 0.000 0.218 186 A C 1.990 179.606 177.584 0.054 0.000 1.181 186 A CA 1.726 53.806 52.037 0.072 0.000 0.627 186 A CB -0.434 18.589 19.000 0.039 0.000 0.818 186 A HN 0.338 nan 8.150 nan 0.000 0.445 187 E N -0.815 119.407 120.200 0.037 0.000 2.051 187 E HA -0.119 4.233 4.350 0.003 0.000 0.192 187 E C 1.914 178.513 176.600 -0.002 0.000 0.991 187 E CA 1.443 57.852 56.400 0.015 0.000 0.799 187 E CB -0.136 29.573 29.700 0.016 0.000 0.748 187 E HN 0.309 nan 8.360 nan 0.000 0.449 188 V N 0.630 120.559 119.914 0.024 0.000 2.591 188 V HA -0.197 3.925 4.120 0.003 0.000 0.249 188 V C 2.345 178.457 176.094 0.029 0.000 1.053 188 V CA 1.777 64.067 62.300 -0.017 0.000 1.068 188 V CB -0.270 31.578 31.823 0.042 0.000 0.689 188 V HN 0.338 nan 8.190 nan 0.000 0.462 189 Q N 0.311 120.171 119.800 0.100 0.000 2.119 189 Q HA -0.167 4.175 4.340 0.003 0.000 0.201 189 Q C 2.192 178.178 176.000 -0.022 0.000 0.972 189 Q CA 1.797 57.615 55.803 0.025 0.000 0.847 189 Q CB -0.248 28.521 28.738 0.051 0.000 0.903 189 Q HN 0.597 nan 8.270 nan 0.000 0.433 190 A N 1.018 123.832 122.820 -0.011 0.000 1.972 190 A HA -0.151 4.171 4.320 0.003 0.000 0.219 190 A C 1.987 179.547 177.584 -0.040 0.000 1.169 190 A CA 1.152 53.172 52.037 -0.028 0.000 0.635 190 A CB -0.652 18.337 19.000 -0.019 0.000 0.810 190 A HN 0.514 nan 8.150 nan 0.000 0.446 191 I N -0.331 120.210 120.570 -0.049 0.000 2.194 191 I HA -0.349 3.823 4.170 0.003 0.000 0.246 191 I C 2.981 179.086 176.117 -0.021 0.000 1.093 191 I CA 1.235 62.501 61.300 -0.057 0.000 1.355 191 I CB -0.399 37.530 38.000 -0.118 0.000 1.046 191 I HN 0.401 nan 8.210 nan 0.000 0.413 192 A N 0.857 123.671 122.820 -0.011 0.000 1.855 192 A HA -0.227 4.095 4.320 0.003 0.000 0.215 192 A C 2.462 180.030 177.584 -0.027 0.000 1.191 192 A CA 2.539 54.577 52.037 0.002 0.000 0.613 192 A CB -1.246 17.666 19.000 -0.147 0.000 0.829 192 A HN 0.518 nan 8.150 nan 0.000 0.442 193 T N -2.266 112.241 114.554 -0.077 0.000 2.821 193 T HA -0.130 4.221 4.350 0.003 0.000 0.267 193 T C 1.312 175.956 174.700 -0.093 0.000 1.046 193 T CA 1.557 63.609 62.100 -0.081 0.000 1.139 193 T CB -0.520 68.304 68.868 -0.073 0.000 0.871 193 T HN 0.331 nan 8.240 nan 0.000 0.454 194 D N 1.822 122.173 120.400 -0.082 0.000 2.149 194 D HA 0.009 4.651 4.640 0.003 0.000 0.198 194 D C 2.399 178.610 176.300 -0.148 0.000 0.990 194 D CA 1.398 55.339 54.000 -0.098 0.000 0.839 194 D CB -0.992 39.766 40.800 -0.071 0.000 0.948 194 D HN 0.586 nan 8.370 nan 0.000 0.460 195 G N 0.705 109.416 108.800 -0.147 0.000 2.418 195 G HA2 -0.187 3.774 3.960 0.003 0.000 0.217 195 G HA3 -0.187 3.774 3.960 0.003 0.000 0.217 195 G C 1.715 176.240 174.900 -0.624 0.000 1.158 195 G CA 1.231 46.161 45.100 -0.284 0.000 0.771 195 G HN 0.405 nan 8.290 nan 0.000 0.545 196 A N 0.593 123.113 122.820 -0.500 0.000 1.898 196 A HA 0.039 4.360 4.320 0.003 0.000 0.216 196 A C 2.419 179.753 177.584 -0.417 0.000 1.181 196 A CA 1.590 53.312 52.037 -0.525 0.000 0.620 196 A CB -0.389 18.553 19.000 -0.097 0.000 0.819 196 A HN 0.340 nan 8.150 nan 0.000 0.442 197 R N -0.681 119.654 120.500 -0.274 0.000 2.080 197 R HA -0.171 4.170 4.340 0.003 0.000 0.236 197 R C 2.337 178.487 176.300 -0.250 0.000 1.137 197 R CA 1.808 57.778 56.100 -0.216 0.000 0.943 197 R CB -0.251 29.961 30.300 -0.147 0.000 0.846 197 R HN 0.398 nan 8.270 nan 0.000 0.431 198 K N 0.634 120.878 120.400 -0.260 0.000 2.063 198 K HA -0.144 4.177 4.320 0.003 0.000 0.208 198 K C 1.919 178.316 176.600 -0.338 0.000 1.048 198 K CA 1.649 57.782 56.287 -0.257 0.000 0.928 198 K CB -0.569 31.805 32.500 -0.209 0.000 0.713 198 K HN 0.182 nan 8.250 nan 0.000 0.442 199 C N -0.702 118.365 119.300 -0.389 0.000 2.413 199 C HA -0.068 4.393 4.460 0.003 0.000 0.276 199 C C 2.563 177.358 174.990 -0.326 0.000 1.248 199 C CA 0.882 59.719 59.018 -0.301 0.000 1.742 199 C CB -0.710 26.736 27.740 -0.489 0.000 2.017 199 C HN 0.312 nan 8.230 nan 0.000 0.481 200 V N 0.920 120.612 119.914 -0.370 0.000 2.343 200 V HA -0.216 3.905 4.120 0.003 0.000 0.247 200 V C 2.582 178.569 176.094 -0.179 0.000 1.051 200 V CA 2.305 64.475 62.300 -0.217 0.000 1.036 200 V CB -0.706 31.000 31.823 -0.194 0.000 0.654 200 V HN 0.658 nan 8.190 nan 0.000 0.451 201 E N -0.634 119.425 120.200 -0.234 0.000 2.152 201 E HA -0.211 4.140 4.350 0.003 0.000 0.192 201 E C 2.128 178.559 176.600 -0.281 0.000 0.983 201 E CA 0.897 57.174 56.400 -0.204 0.000 0.818 201 E CB 0.023 29.611 29.700 -0.187 0.000 0.758 201 E HN 0.562 nan 8.360 nan 0.000 0.467 202 Q N -0.091 119.400 119.800 -0.515 0.000 2.212 202 Q HA 0.029 4.371 4.340 0.003 0.000 0.199 202 Q C 2.094 177.653 176.000 -0.734 0.000 0.950 202 Q CA 0.993 56.317 55.803 -0.798 0.000 0.863 202 Q CB 0.016 27.823 28.738 -1.551 0.000 0.944 202 Q HN 0.343 nan 8.270 nan 0.000 0.465 203 A N 1.082 123.531 122.820 -0.618 0.000 1.972 203 A HA -0.085 4.236 4.320 0.003 0.000 0.219 203 A C 2.234 179.903 177.584 0.141 0.000 1.169 203 A CA 1.680 53.594 52.037 -0.204 0.000 0.635 203 A CB -0.410 18.695 19.000 0.174 0.000 0.810 203 A HN 0.339 nan 8.150 nan 0.000 0.446 204 A N -0.675 122.166 122.820 0.035 0.000 1.968 204 A HA -0.015 4.307 4.320 0.003 0.000 0.217 204 A C 2.089 179.699 177.584 0.043 0.000 1.169 204 A CA 1.575 53.651 52.037 0.065 0.000 0.638 204 A CB -0.290 18.715 19.000 0.008 0.000 0.812 204 A HN 0.317 nan 8.150 nan 0.000 0.446 205 K N -1.474 118.908 120.400 -0.030 0.000 2.504 205 K HA 0.038 4.360 4.320 0.003 0.000 0.195 205 K C -0.614 175.811 176.600 -0.292 0.000 1.036 205 K CA 0.543 56.720 56.287 -0.184 0.000 0.984 205 K CB -0.649 31.665 32.500 -0.310 0.000 0.788 205 K HN 0.748 nan 8.250 nan 0.000 0.488 206 Y N -0.479 119.955 120.300 0.222 0.000 2.662 206 Y HA 0.283 4.834 4.550 0.003 0.000 0.358 206 Y C -2.166 173.986 175.900 0.420 0.000 1.041 206 Y CA -2.485 55.845 58.100 0.384 0.000 1.184 206 Y CB 1.487 40.348 38.460 0.668 0.000 1.114 206 Y HN 0.051 nan 8.280 nan 0.000 0.650 207 P HA -0.068 nan 4.420 nan 0.000 0.226 207 P C 1.649 179.045 177.300 0.160 0.000 1.153 207 P CA 1.096 64.335 63.100 0.231 0.000 0.777 207 P CB 0.376 32.156 31.700 0.133 0.000 0.794 208 G N -1.229 107.662 108.800 0.153 0.000 2.776 208 G HA2 -0.044 3.918 3.960 0.003 0.000 0.209 208 G HA3 -0.044 3.918 3.960 0.003 0.000 0.209 208 G C 0.270 175.137 174.900 -0.055 0.000 1.145 208 G CA 0.452 45.586 45.100 0.057 0.000 0.791 208 G HN 0.235 nan 8.290 nan 0.000 0.530 209 T N 0.902 115.371 114.554 -0.142 0.000 2.829 209 T HA 0.357 4.709 4.350 0.003 0.000 0.280 209 T C -0.573 173.742 174.700 -0.641 0.000 0.999 209 T CA -0.494 61.257 62.100 -0.581 0.000 0.983 209 T CB 2.018 70.143 68.868 -1.239 0.000 0.968 209 T HN -0.105 nan 8.240 nan 0.000 0.446 210 Q N 2.513 122.011 119.800 -0.503 0.000 2.472 210 Q HA 0.141 4.483 4.340 0.003 0.000 0.227 210 Q C -0.954 174.838 176.000 -0.346 0.000 1.156 210 Q CA -0.002 55.624 55.803 -0.294 0.000 0.924 210 Q CB 0.238 28.870 28.738 -0.177 0.000 1.354 210 Q HN 0.594 nan 8.270 nan 0.000 0.525 211 W N 3.132 124.387 121.300 -0.074 0.000 2.272 211 W HA 0.313 4.975 4.660 0.003 0.000 0.318 211 W C 0.771 177.041 176.519 -0.414 0.000 1.255 211 W CA -0.517 56.683 57.345 -0.242 0.000 1.200 211 W CB 0.909 30.277 29.460 -0.153 0.000 1.170 211 W HN 0.171 nan 8.180 nan 0.000 0.549 212 R N 2.191 122.504 120.500 -0.312 0.000 2.854 212 R HA 0.686 5.027 4.340 0.003 0.000 0.271 212 R C -1.474 174.452 176.300 -0.624 0.000 0.994 212 R CA -1.288 54.582 56.100 -0.383 0.000 0.945 212 R CB 1.851 32.068 30.300 -0.137 0.000 1.194 212 R HN 0.333 nan 8.270 nan 0.000 0.476 213 F N 0.163 120.211 119.950 0.162 0.000 2.520 213 F HA 0.362 4.891 4.527 0.003 0.000 0.322 213 F C 0.218 176.061 175.800 0.072 0.000 1.103 213 F CA -0.761 57.364 58.000 0.208 0.000 0.926 213 F CB 2.317 41.510 39.000 0.322 0.000 1.154 213 F HN 0.436 nan 8.300 nan 0.000 0.453 214 E N 2.336 122.689 120.200 0.255 0.000 2.210 214 E HA 0.313 4.664 4.350 0.003 0.000 0.266 214 E C -2.091 174.491 176.600 -0.030 0.000 0.883 214 E CA -0.803 55.609 56.400 0.020 0.000 0.761 214 E CB 1.653 31.256 29.700 -0.161 0.000 1.156 214 E HN 0.599 nan 8.360 nan 0.000 0.412 215 Y N 2.631 122.825 120.300 -0.175 0.000 2.341 215 Y HA 0.460 5.011 4.550 0.002 0.000 0.338 215 Y C -1.324 174.612 175.900 0.061 0.000 0.965 215 Y CA -0.757 57.210 58.100 -0.220 0.000 1.108 215 Y CB 1.816 40.207 38.460 -0.114 0.000 1.180 215 Y HN 0.386 nan 8.280 nan 0.000 0.458 216 S N 8.587 123.776 115.700 -0.853 0.000 2.456 216 S HA 0.368 4.840 4.470 0.003 0.000 0.316 216 S C -2.900 171.125 174.600 -0.958 0.000 1.089 216 S CA -1.481 56.347 58.200 -0.621 0.000 1.101 216 S CB 1.293 64.414 63.200 -0.132 0.000 0.995 216 S HN 0.463 nan 8.310 nan 0.000 0.468 217 P HA 0.102 nan 4.420 nan 0.000 0.268 217 P C -0.033 177.292 177.300 0.041 0.000 1.485 217 P CA -0.184 62.833 63.100 -0.140 0.000 1.102 217 P CB 0.144 31.892 31.700 0.080 0.000 1.501 218 E N 2.509 122.754 120.200 0.076 0.000 2.415 218 E HA -0.005 4.346 4.350 0.003 0.000 0.262 218 E C 0.143 176.851 176.600 0.179 0.000 1.038 218 E CA 0.442 56.918 56.400 0.127 0.000 0.921 218 E CB 0.273 30.115 29.700 0.237 0.000 0.950 218 E HN 0.344 nan 8.360 nan 0.000 0.438 219 S N 2.167 117.966 115.700 0.166 0.000 3.587 219 S HA -0.276 4.196 4.470 0.003 0.000 0.337 219 S C 0.533 175.257 174.600 0.207 0.000 1.119 219 S CA 1.007 59.311 58.200 0.174 0.000 0.976 219 S CB -2.111 61.181 63.200 0.155 0.000 0.922 219 S HN 0.706 nan 8.310 nan 0.000 0.503 220 Y N 2.624 122.998 120.300 0.122 0.000 2.096 220 Y HA -0.330 4.222 4.550 0.003 0.000 0.278 220 Y C 2.390 178.401 175.900 0.184 0.000 1.192 220 Y CA 2.610 60.791 58.100 0.135 0.000 1.143 220 Y CB -0.974 37.561 38.460 0.125 0.000 0.963 220 Y HN 0.626 nan 8.280 nan 0.000 0.505 221 T N -3.000 111.577 114.554 0.038 0.000 3.072 221 T HA 0.042 4.394 4.350 0.003 0.000 0.266 221 T C 1.738 176.524 174.700 0.143 0.000 1.127 221 T CA 0.775 62.884 62.100 0.015 0.000 1.107 221 T CB -0.712 68.267 68.868 0.185 0.000 0.910 221 T HN 0.450 nan 8.240 nan 0.000 0.513 222 G N 0.526 109.378 108.800 0.087 0.000 3.337 222 G HA2 0.359 4.320 3.960 0.003 0.000 0.246 222 G HA3 0.359 4.320 3.960 0.003 0.000 0.246 222 G C 0.026 174.929 174.900 0.005 0.000 1.131 222 G CA -0.367 44.763 45.100 0.050 0.000 0.773 222 G HN 0.482 nan 8.290 nan 0.000 0.544 223 T N 0.978 115.524 114.554 -0.014 0.000 2.855 223 T HA 0.399 4.750 4.350 0.003 0.000 0.281 223 T C -0.549 174.131 174.700 -0.033 0.000 1.007 223 T CA -0.539 61.579 62.100 0.030 0.000 1.009 223 T CB 2.184 71.115 68.868 0.105 0.000 0.983 223 T HN 0.167 nan 8.240 nan 0.000 0.455 224 E N 1.995 122.204 120.200 0.016 0.000 2.465 224 E HA 0.066 4.418 4.350 0.003 0.000 0.260 224 E C 1.044 177.643 176.600 -0.002 0.000 0.980 224 E CA -0.046 56.342 56.400 -0.020 0.000 0.927 224 E CB 0.299 30.006 29.700 0.013 0.000 0.934 224 E HN 0.485 nan 8.360 nan 0.000 0.459 225 L N 2.647 123.784 121.223 -0.143 0.000 2.042 225 L HA -0.265 4.077 4.340 0.003 0.000 0.210 225 L C 2.080 178.922 176.870 -0.045 0.000 1.076 225 L CA 1.778 56.506 54.840 -0.185 0.000 0.749 225 L CB -0.615 41.057 42.059 -0.645 0.000 0.893 225 L HN 0.611 nan 8.230 nan 0.000 0.432 226 E N -0.565 119.587 120.200 -0.079 0.000 2.153 226 E HA -0.288 4.063 4.350 0.003 0.000 0.194 226 E C 1.992 178.729 176.600 0.227 0.000 0.988 226 E CA 1.490 57.989 56.400 0.164 0.000 0.811 226 E CB -0.770 29.004 29.700 0.123 0.000 0.746 226 E HN 0.563 nan 8.360 nan 0.000 0.466 227 Y N 0.779 121.112 120.300 0.055 0.000 2.286 227 Y HA 0.079 4.630 4.550 0.003 0.000 0.293 227 Y C 2.496 178.454 175.900 0.096 0.000 1.124 227 Y CA 1.055 59.193 58.100 0.064 0.000 1.178 227 Y CB -0.242 38.240 38.460 0.036 0.000 1.010 227 Y HN 0.145 nan 8.280 nan 0.000 0.536 228 A N 1.012 123.874 122.820 0.070 0.000 1.873 228 A HA -0.285 4.036 4.320 0.003 0.000 0.218 228 A C 2.268 179.848 177.584 -0.005 0.000 1.193 228 A CA 2.197 54.266 52.037 0.054 0.000 0.629 228 A CB -0.864 18.309 19.000 0.288 0.000 0.826 228 A HN 0.514 nan 8.150 nan 0.000 0.447 229 K N -0.494 119.976 120.400 0.117 0.000 2.009 229 K HA -0.278 4.044 4.320 0.003 0.000 0.210 229 K C 2.361 178.945 176.600 -0.026 0.000 1.049 229 K CA 1.965 58.300 56.287 0.080 0.000 0.929 229 K CB -0.307 32.350 32.500 0.262 0.000 0.714 229 K HN 0.660 nan 8.250 nan 0.000 0.440 230 Q N 0.475 120.275 119.800 -0.001 0.000 2.077 230 Q HA -0.172 4.170 4.340 0.003 0.000 0.206 230 Q C 1.970 177.883 176.000 -0.145 0.000 0.989 230 Q CA 2.239 58.020 55.803 -0.038 0.000 0.853 230 Q CB -0.012 28.750 28.738 0.039 0.000 0.907 230 Q HN 0.245 nan 8.270 nan 0.000 0.418 231 V N 0.149 119.887 119.914 -0.292 0.000 2.307 231 V HA -0.321 3.800 4.120 0.003 0.000 0.245 231 V C 2.578 178.504 176.094 -0.280 0.000 1.045 231 V CA 1.642 63.759 62.300 -0.304 0.000 1.024 231 V CB -0.783 30.804 31.823 -0.393 0.000 0.651 231 V HN 0.580 nan 8.190 nan 0.000 0.449 232 C N 0.295 119.409 119.300 -0.309 0.000 2.393 232 C HA -0.199 4.262 4.460 0.003 0.000 0.276 232 C C 2.587 177.363 174.990 -0.357 0.000 1.215 232 C CA 1.210 59.854 59.018 -0.623 0.000 1.743 232 C CB -1.133 25.961 27.740 -1.077 0.000 2.044 232 C HN 0.616 nan 8.230 nan 0.000 0.464 233 D N 0.846 121.128 120.400 -0.196 0.000 2.103 233 D HA -0.134 4.507 4.640 0.003 0.000 0.190 233 D C 2.308 178.609 176.300 0.002 0.000 0.997 233 D CA 1.906 55.890 54.000 -0.028 0.000 0.833 233 D CB -0.841 39.948 40.800 -0.019 0.000 0.961 233 D HN 0.482 nan 8.370 nan 0.000 0.447 234 A N 0.713 123.505 122.820 -0.046 0.000 1.881 234 A HA -0.263 4.058 4.320 0.003 0.000 0.219 234 A C 2.611 180.174 177.584 -0.035 0.000 1.215 234 A CA 2.342 54.351 52.037 -0.046 0.000 0.648 234 A CB -1.119 17.835 19.000 -0.077 0.000 0.832 234 A HN 0.181 nan 8.150 nan 0.000 0.455 235 V N -0.292 119.579 119.914 -0.071 0.000 2.332 235 V HA -0.221 3.901 4.120 0.003 0.000 0.248 235 V C 2.795 178.954 176.094 0.108 0.000 1.055 235 V CA 2.206 64.491 62.300 -0.025 0.000 1.038 235 V CB -1.408 30.313 31.823 -0.169 0.000 0.651 235 V HN 0.691 nan 8.190 nan 0.000 0.450 236 G N -0.946 107.988 108.800 0.223 0.000 2.432 236 G HA2 -0.215 3.746 3.960 0.003 0.000 0.219 236 G HA3 -0.215 3.746 3.960 0.003 0.000 0.219 236 G C 1.474 176.435 174.900 0.100 0.000 1.135 236 G CA 0.536 45.763 45.100 0.212 0.000 0.767 236 G HN 0.451 nan 8.290 nan 0.000 0.550 237 E N 0.264 120.505 120.200 0.067 0.000 2.153 237 E HA -0.064 4.287 4.350 0.003 0.000 0.194 237 E C 2.799 179.407 176.600 0.014 0.000 0.988 237 E CA 0.458 56.878 56.400 0.034 0.000 0.811 237 E CB -0.333 29.378 29.700 0.018 0.000 0.746 237 E HN 0.327 nan 8.360 nan 0.000 0.466 238 V N 0.860 120.774 119.914 0.000 0.000 2.283 238 V HA -0.166 3.956 4.120 0.003 0.000 0.243 238 V C 2.374 178.444 176.094 -0.039 0.000 1.039 238 V CA 1.221 63.501 62.300 -0.033 0.000 1.016 238 V CB -0.270 31.513 31.823 -0.065 0.000 0.650 238 V HN 0.175 nan 8.190 nan 0.000 0.449 239 I N 0.218 120.771 120.570 -0.028 0.000 2.439 239 I HA 0.032 4.203 4.170 0.003 0.000 0.251 239 I C 1.294 177.434 176.117 0.039 0.000 1.139 239 I CA 0.838 62.119 61.300 -0.031 0.000 1.438 239 I CB -0.292 37.699 38.000 -0.015 0.000 1.085 239 I HN 0.363 nan 8.210 nan 0.000 0.427 240 A N 1.323 124.171 122.820 0.046 0.000 2.303 240 A HA -0.133 4.189 4.320 0.003 0.000 0.286 240 A C -2.076 175.549 177.584 0.069 0.000 1.429 240 A CA -0.035 52.034 52.037 0.053 0.000 0.738 240 A CB -2.076 16.949 19.000 0.042 0.000 1.149 240 A HN 0.293 nan 8.150 nan 0.000 0.364 241 P HA 0.688 nan 4.420 nan 0.000 0.281 241 P C 0.147 177.475 177.300 0.047 0.000 1.281 241 P CA 0.467 63.606 63.100 0.065 0.000 0.811 241 P CB 1.428 33.150 31.700 0.038 0.000 1.154 242 T N -4.923 109.656 114.554 0.042 0.000 2.887 242 T HA 0.460 4.811 4.350 0.003 0.000 0.292 242 T C -2.326 172.387 174.700 0.022 0.000 1.087 242 T CA -2.111 60.008 62.100 0.032 0.000 1.009 242 T CB 1.144 70.034 68.868 0.035 0.000 1.203 242 T HN 0.023 nan 8.240 nan 0.000 0.518 243 P HA 0.027 nan 4.420 nan 0.000 0.221 243 P C 0.737 178.042 177.300 0.009 0.000 1.145 243 P CA 0.987 64.094 63.100 0.010 0.000 0.795 243 P CB 0.126 31.831 31.700 0.009 0.000 0.775 244 E N -1.865 118.344 120.200 0.014 0.000 2.251 244 E HA 0.037 4.389 4.350 0.003 0.000 0.194 244 E C 0.574 177.185 176.600 0.017 0.000 0.964 244 E CA 0.330 56.738 56.400 0.013 0.000 0.868 244 E CB 0.283 29.992 29.700 0.015 0.000 0.828 244 E HN -0.135 nan 8.360 nan 0.000 0.481 245 R N 1.660 122.177 120.500 0.029 0.000 3.050 245 R HA 0.314 4.656 4.340 0.003 0.000 0.275 245 R C -2.653 173.670 176.300 0.039 0.000 1.373 245 R CA -1.494 54.631 56.100 0.041 0.000 1.612 245 R CB -0.153 30.188 30.300 0.069 0.000 1.218 245 R HN 0.171 nan 8.270 nan 0.000 0.621 246 P HA 0.286 nan 4.420 nan 0.000 0.276 246 P C 0.032 177.320 177.300 -0.021 0.000 1.244 246 P CA -0.621 62.474 63.100 -0.009 0.000 0.801 246 P CB 0.931 32.617 31.700 -0.024 0.000 1.006 247 I N 1.633 122.152 120.570 -0.085 0.000 2.472 247 I HA 0.247 4.418 4.170 0.003 0.000 0.290 247 I C 0.038 175.988 176.117 -0.279 0.000 1.016 247 I CA -1.047 60.149 61.300 -0.174 0.000 1.348 247 I CB 0.477 38.270 38.000 -0.346 0.000 1.417 247 I HN 0.167 nan 8.210 nan 0.000 0.521 248 I N 7.272 127.707 120.570 -0.225 0.000 2.395 248 I HA 0.186 4.357 4.170 0.003 0.000 0.289 248 I C -0.835 175.096 176.117 -0.310 0.000 1.023 248 I CA 0.080 61.248 61.300 -0.221 0.000 1.350 248 I CB 0.489 38.410 38.000 -0.131 0.000 1.409 248 I HN 0.364 nan 8.210 nan 0.000 0.507 249 F N 4.642 124.575 119.950 -0.028 0.000 2.403 249 F HA 0.321 4.849 4.527 0.002 0.000 0.355 249 F C 0.202 175.927 175.800 -0.125 0.000 1.119 249 F CA -0.857 57.113 58.000 -0.050 0.000 1.007 249 F CB 1.287 40.284 39.000 -0.005 0.000 1.194 249 F HN 0.451 nan 8.300 nan 0.000 0.443 250 N N 4.625 123.331 118.700 0.010 0.000 2.419 250 N HA 0.454 5.196 4.740 0.003 0.000 0.277 250 N C -1.327 174.091 175.510 -0.154 0.000 1.006 250 N CA -0.337 52.657 53.050 -0.095 0.000 0.923 250 N CB 0.910 39.282 38.487 -0.192 0.000 1.140 250 N HN 0.538 nan 8.380 nan 0.000 0.488 251 L N 5.312 126.419 121.223 -0.193 0.000 2.335 251 L HA 0.477 4.819 4.340 0.003 0.000 0.268 251 L C -2.156 174.688 176.870 -0.044 0.000 1.037 251 L CA -1.848 52.729 54.840 -0.439 0.000 0.895 251 L CB 1.309 42.707 42.059 -1.102 0.000 1.266 251 L HN 0.392 nan 8.230 nan 0.000 0.439 252 P HA 0.110 nan 4.420 nan 0.000 0.280 252 P C -0.251 177.288 177.300 0.397 0.000 1.244 252 P CA -0.364 62.884 63.100 0.247 0.000 0.784 252 P CB 1.607 33.349 31.700 0.069 0.000 0.913 253 A N 3.424 126.418 122.820 0.291 0.000 3.037 253 A HA 0.185 4.507 4.320 0.003 0.000 0.272 253 A C 1.552 179.290 177.584 0.257 0.000 1.723 253 A CA -0.061 52.085 52.037 0.181 0.000 1.413 253 A CB -1.255 17.653 19.000 -0.153 0.000 1.112 253 A HN 0.512 nan 8.150 nan 0.000 0.606 254 T N -0.017 114.690 114.554 0.255 0.000 2.653 254 T HA -0.114 4.237 4.350 0.003 0.000 0.268 254 T C 0.860 175.586 174.700 0.044 0.000 1.035 254 T CA 1.678 63.882 62.100 0.173 0.000 1.154 254 T CB -0.181 68.744 68.868 0.094 0.000 0.862 254 T HN 0.280 nan 8.240 nan 0.000 0.441 255 V N 1.654 121.613 119.914 0.075 0.000 2.459 255 V HA 0.268 4.389 4.120 0.003 0.000 0.295 255 V C 0.014 176.153 176.094 0.074 0.000 1.029 255 V CA -1.122 61.211 62.300 0.055 0.000 0.874 255 V CB 1.729 33.584 31.823 0.054 0.000 0.985 255 V HN 0.325 nan 8.190 nan 0.000 0.438 256 E N 4.225 124.453 120.200 0.047 0.000 2.166 256 E HA 0.183 4.535 4.350 0.003 0.000 0.279 256 E C 0.492 177.094 176.600 0.003 0.000 1.095 256 E CA -0.096 56.298 56.400 -0.010 0.000 0.888 256 E CB 0.706 30.380 29.700 -0.043 0.000 1.041 256 E HN 0.669 nan 8.360 nan 0.000 0.414 257 M N 2.647 122.252 119.600 0.009 0.000 2.514 257 M HA 0.082 4.563 4.480 0.003 0.000 0.258 257 M C 0.914 177.222 176.300 0.012 0.000 1.159 257 M CA 0.439 55.788 55.300 0.081 0.000 1.116 257 M CB 0.901 33.661 32.600 0.266 0.000 1.333 257 M HN 0.428 nan 8.290 nan 0.000 0.487 258 T N -0.713 113.740 114.554 -0.169 0.000 2.626 258 T HA 0.266 4.618 4.350 0.003 0.000 0.299 258 T C -0.830 173.772 174.700 -0.164 0.000 1.181 258 T CA -0.538 61.445 62.100 -0.196 0.000 1.053 258 T CB 1.125 69.733 68.868 -0.434 0.000 1.566 258 T HN 0.271 nan 8.240 nan 0.000 0.486 259 T N 1.622 116.102 114.554 -0.124 0.000 2.900 259 T HA 0.335 4.686 4.350 0.003 0.000 0.307 259 T C -1.560 173.091 174.700 -0.082 0.000 1.065 259 T CA -0.934 61.121 62.100 -0.074 0.000 1.105 259 T CB 0.732 69.584 68.868 -0.027 0.000 0.979 259 T HN 0.452 nan 8.240 nan 0.000 0.544 260 P HA -0.112 nan 4.420 nan 0.000 0.223 260 P C 1.299 178.523 177.300 -0.127 0.000 1.151 260 P CA 0.796 63.854 63.100 -0.070 0.000 0.787 260 P CB -0.034 31.626 31.700 -0.067 0.000 0.788 261 N N 0.688 119.322 118.700 -0.109 0.000 2.223 261 N HA -0.094 4.647 4.740 0.003 0.000 0.185 261 N C 1.541 177.020 175.510 -0.051 0.000 1.016 261 N CA 1.247 54.228 53.050 -0.115 0.000 0.863 261 N CB -1.408 37.229 38.487 0.250 0.000 0.983 261 N HN 0.065 nan 8.380 nan 0.000 0.429 262 V N 0.352 120.245 119.914 -0.034 0.000 2.488 262 V HA -0.154 3.967 4.120 0.003 0.000 0.246 262 V C 2.240 178.296 176.094 -0.063 0.000 1.046 262 V CA 1.088 63.361 62.300 -0.045 0.000 1.053 262 V CB -1.005 30.721 31.823 -0.162 0.000 0.679 262 V HN 0.174 nan 8.190 nan 0.000 0.458 263 Y N 1.808 121.985 120.300 -0.205 0.000 2.128 263 Y HA -0.260 4.291 4.550 0.002 0.000 0.284 263 Y C 2.440 178.263 175.900 -0.129 0.000 1.154 263 Y CA 1.603 59.624 58.100 -0.131 0.000 1.149 263 Y CB -0.671 37.720 38.460 -0.115 0.000 0.976 263 Y HN 0.148 nan 8.280 nan 0.000 0.505 264 A N 0.189 122.831 122.820 -0.296 0.000 1.892 264 A HA -0.247 4.075 4.320 0.003 0.000 0.218 264 A C 2.024 179.346 177.584 -0.436 0.000 1.188 264 A CA 2.147 53.802 52.037 -0.637 0.000 0.631 264 A CB -1.004 17.115 19.000 -1.468 0.000 0.822 264 A HN 0.560 nan 8.150 nan 0.000 0.447 265 D N -0.166 120.152 120.400 -0.136 0.000 2.123 265 D HA -0.160 4.481 4.640 0.003 0.000 0.196 265 D C 2.464 178.850 176.300 0.143 0.000 0.992 265 D CA 1.890 56.009 54.000 0.199 0.000 0.833 265 D CB -0.383 40.560 40.800 0.238 0.000 0.954 265 D HN 0.589 nan 8.370 nan 0.000 0.455 266 S N 0.251 115.971 115.700 0.033 0.000 2.382 266 S HA -0.123 4.348 4.470 0.003 0.000 0.228 266 S C 2.032 176.724 174.600 0.153 0.000 1.027 266 S CA 0.587 58.840 58.200 0.089 0.000 0.991 266 S CB -0.193 63.028 63.200 0.035 0.000 0.823 266 S HN 0.068 nan 8.310 nan 0.000 0.469 267 I N 2.264 122.803 120.570 -0.052 0.000 2.202 267 I HA -0.043 4.128 4.170 0.003 0.000 0.242 267 I C 2.766 178.920 176.117 0.061 0.000 1.091 267 I CA 1.544 62.803 61.300 -0.069 0.000 1.368 267 I CB -1.643 36.213 38.000 -0.240 0.000 1.058 267 I HN 0.525 nan 8.210 nan 0.000 0.410 268 E N -0.112 120.150 120.200 0.104 0.000 2.118 268 E HA -0.296 4.055 4.350 0.003 0.000 0.195 268 E C 2.318 179.025 176.600 0.179 0.000 0.992 268 E CA 1.633 58.130 56.400 0.161 0.000 0.804 268 E CB -0.291 29.570 29.700 0.269 0.000 0.741 268 E HN 0.501 nan 8.360 nan 0.000 0.458 269 W N 0.282 121.623 121.300 0.068 0.000 2.409 269 W HA -0.145 4.516 4.660 0.002 0.000 0.299 269 W C 1.939 178.492 176.519 0.056 0.000 1.203 269 W CA 1.163 58.549 57.345 0.067 0.000 1.298 269 W CB 0.040 29.547 29.460 0.078 0.000 1.127 269 W HN 0.069 nan 8.180 nan 0.000 0.528 270 M N -0.225 119.603 119.600 0.379 0.000 2.159 270 M HA -0.177 4.304 4.480 0.003 0.000 0.263 270 M C 2.273 178.570 176.300 -0.005 0.000 1.063 270 M CA 1.718 57.132 55.300 0.189 0.000 1.110 270 M CB -1.735 31.002 32.600 0.229 0.000 1.374 270 M HN 0.070 nan 8.290 nan 0.000 0.411 271 S N 0.196 115.903 115.700 0.012 0.000 2.368 271 S HA -0.085 4.387 4.470 0.003 0.000 0.225 271 S C 2.031 176.593 174.600 -0.063 0.000 1.030 271 S CA 1.128 59.324 58.200 -0.007 0.000 0.999 271 S CB -0.004 63.205 63.200 0.016 0.000 0.844 271 S HN 0.428 nan 8.310 nan 0.000 0.459 272 R N 0.567 120.996 120.500 -0.117 0.000 2.148 272 R HA 0.154 4.495 4.340 0.003 0.000 0.223 272 R C 1.681 177.820 176.300 -0.268 0.000 1.088 272 R CA 1.209 57.206 56.100 -0.173 0.000 0.985 272 R CB -0.115 30.073 30.300 -0.186 0.000 0.880 272 R HN 0.474 nan 8.270 nan 0.000 0.451 273 N N -0.153 118.292 118.700 -0.425 0.000 2.348 273 N HA 0.080 4.822 4.740 0.003 0.000 0.183 273 N C 0.093 175.427 175.510 -0.292 0.000 1.094 273 N CA -0.061 52.679 53.050 -0.516 0.000 0.885 273 N CB 0.709 38.485 38.487 -1.184 0.000 1.065 273 N HN 0.039 nan 8.380 nan 0.000 0.472 274 L N 1.961 123.077 121.223 -0.178 0.000 2.514 274 L HA 0.037 4.378 4.340 0.003 0.000 0.280 274 L C 0.824 177.681 176.870 -0.020 0.000 1.223 274 L CA -0.376 54.430 54.840 -0.057 0.000 0.864 274 L CB 0.324 42.399 42.059 0.027 0.000 1.118 274 L HN 0.063 nan 8.230 nan 0.000 0.494 275 A N 3.458 126.285 122.820 0.011 0.000 2.483 275 A HA 0.072 4.394 4.320 0.003 0.000 0.238 275 A C 0.914 178.533 177.584 0.059 0.000 1.070 275 A CA 0.289 52.342 52.037 0.027 0.000 0.770 275 A CB -0.170 18.851 19.000 0.036 0.000 1.008 275 A HN 1.040 nan 8.150 nan 0.000 0.497 276 N N -0.656 118.067 118.700 0.039 0.000 2.758 276 N HA -0.215 4.527 4.740 0.003 0.000 0.248 276 N C 0.997 176.537 175.510 0.050 0.000 1.076 276 N CA 0.589 53.667 53.050 0.046 0.000 0.696 276 N CB -0.287 38.237 38.487 0.062 0.000 0.979 276 N HN 0.750 nan 8.380 nan 0.000 0.550 277 R N 1.832 122.352 120.500 0.034 0.000 2.091 277 R HA -0.162 4.180 4.340 0.003 0.000 0.238 277 R C 2.188 178.503 176.300 0.026 0.000 1.136 277 R CA 2.376 58.497 56.100 0.035 0.000 0.959 277 R CB -0.310 29.996 30.300 0.009 0.000 0.856 277 R HN 0.574 nan 8.270 nan 0.000 0.437 278 E N -0.189 120.021 120.200 0.016 0.000 2.396 278 E HA -0.097 4.255 4.350 0.003 0.000 0.200 278 E C 0.395 177.001 176.600 0.010 0.000 1.023 278 E CA 1.364 57.770 56.400 0.010 0.000 0.857 278 E CB -0.240 29.465 29.700 0.007 0.000 0.775 278 E HN 0.258 nan 8.360 nan 0.000 0.525 279 S N 0.263 115.972 115.700 0.015 0.000 2.582 279 S HA 0.259 4.730 4.470 0.003 0.000 0.234 279 S C -0.005 174.583 174.600 -0.020 0.000 0.961 279 S CA -0.423 57.780 58.200 0.005 0.000 0.953 279 S CB 0.791 64.000 63.200 0.016 0.000 0.800 279 S HN 0.033 nan 8.310 nan 0.000 0.471 280 V N 2.449 122.357 119.914 -0.010 0.000 2.448 280 V HA 0.444 4.565 4.120 0.003 0.000 0.295 280 V C -0.371 175.706 176.094 -0.027 0.000 1.025 280 V CA -0.719 61.559 62.300 -0.036 0.000 0.859 280 V CB 1.634 33.499 31.823 0.071 0.000 0.988 280 V HN 0.330 nan 8.190 nan 0.000 0.431 281 I N 5.591 126.122 120.570 -0.064 0.000 2.312 281 I HA 0.266 4.438 4.170 0.003 0.000 0.291 281 I C -0.401 175.704 176.117 -0.020 0.000 1.031 281 I CA -0.424 60.853 61.300 -0.038 0.000 1.293 281 I CB 1.285 39.254 38.000 -0.052 0.000 1.403 281 I HN 0.387 nan 8.210 nan 0.000 0.484 282 L N 7.183 128.415 121.223 0.014 0.000 2.260 282 L HA 0.373 4.715 4.340 0.003 0.000 0.289 282 L C 0.042 176.916 176.870 0.007 0.000 1.057 282 L CA 0.591 55.451 54.840 0.034 0.000 0.811 282 L CB 1.085 43.170 42.059 0.044 0.000 1.184 282 L HN 0.539 nan 8.230 nan 0.000 0.429 283 S N 5.362 121.058 115.700 -0.007 0.000 2.503 283 S HA 0.769 5.241 4.470 0.003 0.000 0.301 283 S C -0.762 173.836 174.600 -0.004 0.000 1.087 283 S CA -0.739 57.449 58.200 -0.020 0.000 1.042 283 S CB 0.745 63.918 63.200 -0.045 0.000 1.043 283 S HN 0.545 nan 8.310 nan 0.000 0.489 284 L N 3.769 125.014 121.223 0.036 0.000 2.334 284 L HA 0.551 4.892 4.340 0.003 0.000 0.276 284 L C -0.570 176.378 176.870 0.129 0.000 1.014 284 L CA -0.777 54.138 54.840 0.126 0.000 0.815 284 L CB 1.678 43.842 42.059 0.175 0.000 1.268 284 L HN 0.867 nan 8.230 nan 0.000 0.428 285 H N 2.010 121.107 119.070 0.045 0.000 2.562 285 H HA 0.322 4.880 4.556 0.003 0.000 0.230 285 H C -2.714 172.563 175.328 -0.084 0.000 1.415 285 H CA -1.297 54.730 56.048 -0.034 0.000 1.454 285 H CB 1.025 30.778 29.762 -0.015 0.000 1.716 285 H HN 0.289 nan 8.280 nan 0.000 0.538 286 P HA 0.141 nan 4.420 nan 0.000 0.281 286 P C -0.322 176.766 177.300 -0.353 0.000 1.252 286 P CA 0.004 62.953 63.100 -0.251 0.000 0.778 286 P CB 0.885 32.407 31.700 -0.296 0.000 0.895 287 H N 1.809 120.833 119.070 -0.077 0.000 2.523 287 H HA 0.257 4.815 4.556 0.003 0.000 0.345 287 H C 0.280 175.562 175.328 -0.076 0.000 1.261 287 H CA -0.251 55.765 56.048 -0.052 0.000 1.343 287 H CB 1.142 30.903 29.762 -0.003 0.000 1.650 287 H HN 0.289 nan 8.280 nan 0.000 0.591 288 N N 0.155 118.897 118.700 0.070 0.000 2.328 288 N HA 0.023 4.764 4.740 0.003 0.000 0.247 288 N C -0.084 175.426 175.510 0.001 0.000 1.165 288 N CA -0.072 52.979 53.050 0.001 0.000 0.873 288 N CB 0.070 38.550 38.487 -0.012 0.000 1.125 288 N HN 0.465 nan 8.380 nan 0.000 0.513 289 D N -0.424 119.985 120.400 0.016 0.000 2.221 289 D HA -0.109 4.533 4.640 0.003 0.000 0.204 289 D C 1.029 177.316 176.300 -0.021 0.000 0.982 289 D CA 1.108 55.108 54.000 0.000 0.000 0.857 289 D CB 0.226 41.031 40.800 0.008 0.000 0.934 289 D HN 0.287 nan 8.370 nan 0.000 0.475 290 R N -0.494 119.988 120.500 -0.030 0.000 2.468 290 R HA 0.301 4.643 4.340 0.003 0.000 0.280 290 R C 0.978 177.252 176.300 -0.043 0.000 0.963 290 R CA 0.287 56.364 56.100 -0.039 0.000 1.083 290 R CB 0.727 31.002 30.300 -0.042 0.000 1.200 290 R HN 0.100 nan 8.270 nan 0.000 0.541 291 G N 1.673 110.447 108.800 -0.044 0.000 2.203 291 G HA2 -0.327 3.634 3.960 0.003 0.000 0.263 291 G HA3 -0.327 3.634 3.960 0.003 0.000 0.263 291 G C 0.594 175.462 174.900 -0.052 0.000 1.012 291 G CA 1.105 46.175 45.100 -0.050 0.000 0.749 291 G HN 0.452 nan 8.290 nan 0.000 0.512 292 T N -4.115 110.405 114.554 -0.057 0.000 3.339 292 T HA 0.683 5.035 4.350 0.003 0.000 0.292 292 T C 1.934 176.587 174.700 -0.079 0.000 1.012 292 T CA 0.944 63.009 62.100 -0.059 0.000 0.937 292 T CB 0.837 69.673 68.868 -0.054 0.000 1.164 292 T HN 1.246 nan 8.240 nan 0.000 0.509 293 A N 1.451 124.219 122.820 -0.086 0.000 1.917 293 A HA 0.005 4.326 4.320 0.003 0.000 0.219 293 A C 2.307 179.842 177.584 -0.081 0.000 1.182 293 A CA 1.801 53.770 52.037 -0.113 0.000 0.633 293 A CB -1.062 17.872 19.000 -0.109 0.000 0.819 293 A HN 0.434 nan 8.150 nan 0.000 0.448 294 V N -0.282 119.607 119.914 -0.042 0.000 2.295 294 V HA -0.259 3.862 4.120 0.003 0.000 0.246 294 V C 3.070 179.173 176.094 0.016 0.000 1.049 294 V CA 2.026 64.327 62.300 0.000 0.000 1.024 294 V CB -1.268 30.565 31.823 0.018 0.000 0.648 294 V HN 0.643 nan 8.190 nan 0.000 0.447 295 A N -0.021 122.799 122.820 -0.001 0.000 1.877 295 A HA -0.156 4.165 4.320 0.003 0.000 0.216 295 A C 2.470 180.050 177.584 -0.007 0.000 1.186 295 A CA 2.254 54.295 52.037 0.007 0.000 0.620 295 A CB -0.971 18.028 19.000 -0.001 0.000 0.822 295 A HN 0.593 nan 8.150 nan 0.000 0.443 296 A N 0.023 122.819 122.820 -0.041 0.000 1.869 296 A HA -0.036 4.286 4.320 0.003 0.000 0.218 296 A C 2.568 180.215 177.584 0.105 0.000 1.203 296 A CA 2.971 54.994 52.037 -0.023 0.000 0.638 296 A CB -1.304 17.536 19.000 -0.267 0.000 0.831 296 A HN 1.259 nan 8.150 nan 0.000 0.450 297 A N -0.864 121.992 122.820 0.059 0.000 1.902 297 A HA -0.185 4.137 4.320 0.003 0.000 0.217 297 A C 1.968 179.642 177.584 0.150 0.000 1.181 297 A CA 1.835 53.941 52.037 0.114 0.000 0.623 297 A CB -0.534 18.504 19.000 0.062 0.000 0.818 297 A HN 0.675 nan 8.150 nan 0.000 0.443 298 E N -0.410 119.867 120.200 0.129 0.000 2.107 298 E HA -0.035 4.316 4.350 0.003 0.000 0.191 298 E C 1.961 178.648 176.600 0.144 0.000 0.982 298 E CA 0.811 57.316 56.400 0.175 0.000 0.809 298 E CB -0.166 29.623 29.700 0.147 0.000 0.756 298 E HN 0.612 nan 8.360 nan 0.000 0.459 299 L N -0.056 121.191 121.223 0.039 0.000 2.072 299 L HA -0.022 4.320 4.340 0.003 0.000 0.205 299 L C 2.555 179.322 176.870 -0.170 0.000 1.079 299 L CA 1.050 55.820 54.840 -0.116 0.000 0.752 299 L CB -0.624 41.186 42.059 -0.414 0.000 0.906 299 L HN 0.235 nan 8.230 nan 0.000 0.436 300 G N -0.348 108.414 108.800 -0.064 0.000 2.422 300 G HA2 -0.308 3.654 3.960 0.003 0.000 0.218 300 G HA3 -0.308 3.654 3.960 0.003 0.000 0.218 300 G C 1.581 176.536 174.900 0.092 0.000 1.146 300 G CA 0.466 45.545 45.100 -0.034 0.000 0.769 300 G HN 0.325 nan 8.290 nan 0.000 0.547 301 F N 1.887 121.827 119.950 -0.018 0.000 2.113 301 F HA 0.076 4.604 4.527 0.001 0.000 0.297 301 F C 2.843 178.651 175.800 0.013 0.000 1.103 301 F CA 1.114 59.105 58.000 -0.015 0.000 1.248 301 F CB 0.122 39.107 39.000 -0.026 0.000 0.999 301 F HN 0.231 nan 8.300 nan 0.000 0.475 302 A N 0.260 123.037 122.820 -0.070 0.000 2.070 302 A HA -0.072 4.250 4.320 0.003 0.000 0.220 302 A C 2.099 179.717 177.584 0.057 0.000 1.159 302 A CA 1.312 53.303 52.037 -0.077 0.000 0.656 302 A CB -1.227 17.828 19.000 0.090 0.000 0.800 302 A HN 0.482 nan 8.150 nan 0.000 0.453 303 A N -1.930 120.945 122.820 0.092 0.000 2.206 303 A HA 0.392 4.713 4.320 0.003 0.000 0.211 303 A C 1.719 179.343 177.584 0.067 0.000 1.158 303 A CA 1.375 53.494 52.037 0.136 0.000 0.761 303 A CB -0.625 18.366 19.000 -0.016 0.000 0.801 303 A HN 1.758 nan 8.150 nan 0.000 0.473 304 G N -2.679 106.128 108.800 0.011 0.000 2.205 304 G HA2 0.213 4.174 3.960 0.003 0.000 0.180 304 G HA3 0.213 4.174 3.960 0.003 0.000 0.180 304 G C 0.389 175.318 174.900 0.048 0.000 1.004 304 G CA 0.075 45.179 45.100 0.006 0.000 0.670 304 G HN 1.380 nan 8.290 nan 0.000 0.496 305 A N 0.090 122.974 122.820 0.106 0.000 2.386 305 A HA 0.583 4.904 4.320 0.003 0.000 0.246 305 A C 1.017 178.760 177.584 0.265 0.000 1.089 305 A CA 0.869 52.997 52.037 0.151 0.000 0.790 305 A CB 0.371 19.451 19.000 0.133 0.000 1.042 305 A HN 0.160 nan 8.150 nan 0.000 0.497 306 D N -0.763 119.720 120.400 0.139 0.000 2.423 306 D HA 0.133 4.775 4.640 0.003 0.000 0.212 306 D C 0.614 176.876 176.300 -0.064 0.000 1.060 306 D CA 0.570 54.629 54.000 0.098 0.000 0.872 306 D CB 0.492 41.312 40.800 0.033 0.000 1.012 306 D HN 0.561 nan 8.370 nan 0.000 0.503 307 R N 0.477 120.910 120.500 -0.113 0.000 2.643 307 R HA 0.543 4.885 4.340 0.003 0.000 0.269 307 R C -1.917 174.291 176.300 -0.152 0.000 1.037 307 R CA -0.468 55.525 56.100 -0.178 0.000 0.894 307 R CB 1.709 31.953 30.300 -0.092 0.000 1.238 307 R HN -0.188 nan 8.270 nan 0.000 0.459 308 I N 2.451 122.936 120.570 -0.141 0.000 2.499 308 I HA 0.310 4.481 4.170 0.003 0.000 0.288 308 I C -0.570 175.579 176.117 0.052 0.000 1.048 308 I CA -0.771 60.507 61.300 -0.037 0.000 1.062 308 I CB 2.318 40.295 38.000 -0.038 0.000 1.238 308 I HN 0.513 nan 8.210 nan 0.000 0.426 309 E N 4.228 124.425 120.200 -0.004 0.000 2.197 309 E HA 0.691 5.043 4.350 0.003 0.000 0.281 309 E C -0.060 176.420 176.600 -0.200 0.000 0.995 309 E CA -0.429 55.933 56.400 -0.062 0.000 0.808 309 E CB 2.433 32.126 29.700 -0.011 0.000 1.093 309 E HN 0.851 nan 8.360 nan 0.000 0.394 310 G N 1.026 109.718 108.800 -0.180 0.000 2.561 310 G HA2 0.436 4.398 3.960 0.003 0.000 0.310 310 G HA3 0.436 4.398 3.960 0.003 0.000 0.310 310 G C -1.419 173.356 174.900 -0.208 0.000 1.292 310 G CA -0.388 44.577 45.100 -0.226 0.000 0.811 310 G HN 0.586 nan 8.290 nan 0.000 0.482 311 C N -0.296 118.894 119.300 -0.183 0.000 2.712 311 C HA 0.653 5.114 4.460 0.003 0.000 0.308 311 C C 0.274 175.178 174.990 -0.145 0.000 1.201 311 C CA -0.600 58.328 59.018 -0.150 0.000 1.554 311 C CB 0.863 28.554 27.740 -0.081 0.000 2.117 311 C HN 0.687 nan 8.230 nan 0.000 0.480 312 L N 3.073 124.208 121.223 -0.147 0.000 2.455 312 L HA 0.186 4.527 4.340 0.003 0.000 0.272 312 L C 0.193 177.048 176.870 -0.024 0.000 1.174 312 L CA 0.378 55.122 54.840 -0.160 0.000 0.869 312 L CB -0.157 41.859 42.059 -0.073 0.000 1.130 312 L HN 0.794 nan 8.230 nan 0.000 0.474 313 F N 1.916 121.821 119.950 -0.074 0.000 3.084 313 F HA -0.245 4.284 4.527 0.004 0.000 0.286 313 F C 1.457 177.310 175.800 0.089 0.000 0.855 313 F CA 1.024 58.929 58.000 -0.159 0.000 1.091 313 F CB -2.081 36.730 39.000 -0.315 0.000 1.177 313 F HN 0.844 nan 8.300 nan 0.000 0.542 314 G N -0.282 108.627 108.800 0.182 0.000 2.147 314 G HA2 -0.374 3.587 3.960 0.003 0.000 0.244 314 G HA3 -0.374 3.587 3.960 0.003 0.000 0.244 314 G C 0.130 175.095 174.900 0.108 0.000 1.005 314 G CA 0.166 45.357 45.100 0.152 0.000 0.713 314 G HN 0.722 nan 8.290 nan 0.000 0.515 315 N N 0.640 119.392 118.700 0.086 0.000 2.415 315 N HA 0.576 5.318 4.740 0.003 0.000 0.248 315 N C 0.847 176.385 175.510 0.047 0.000 1.271 315 N CA 1.984 55.073 53.050 0.064 0.000 0.913 315 N CB 0.724 39.240 38.487 0.048 0.000 1.129 315 N HN 1.545 nan 8.380 nan 0.000 0.444 316 G N 0.615 109.455 108.800 0.067 0.000 2.357 316 G HA2 0.018 3.979 3.960 0.003 0.000 0.289 316 G HA3 0.018 3.979 3.960 0.003 0.000 0.289 316 G C -1.450 173.523 174.900 0.121 0.000 1.302 316 G CA -0.896 44.265 45.100 0.102 0.000 0.936 316 G HN 0.657 nan 8.290 nan 0.000 0.513 317 E N 0.733 121.021 120.200 0.148 0.000 2.415 317 E HA 0.492 4.843 4.350 0.003 0.000 0.263 317 E C 1.377 177.997 176.600 0.034 0.000 0.995 317 E CA 1.048 57.474 56.400 0.044 0.000 0.915 317 E CB 0.249 29.916 29.700 -0.056 0.000 0.951 317 E HN 0.782 nan 8.360 nan 0.000 0.449 318 R N 0.892 121.401 120.500 0.015 0.000 3.987 318 R HA -0.310 4.032 4.340 0.003 0.000 0.298 318 R C 1.563 177.878 176.300 0.026 0.000 0.268 318 R CA 2.167 58.273 56.100 0.009 0.000 1.023 318 R CB -2.142 28.149 30.300 -0.015 0.000 0.974 318 R HN 0.759 nan 8.270 nan 0.000 0.570 319 T N 0.053 114.627 114.554 0.033 0.000 3.118 319 T HA 0.326 4.677 4.350 0.003 0.000 0.260 319 T C 0.961 175.698 174.700 0.062 0.000 1.139 319 T CA 1.025 63.146 62.100 0.034 0.000 1.085 319 T CB 0.228 69.108 68.868 0.019 0.000 0.934 319 T HN 1.279 nan 8.240 nan 0.000 0.518 320 G N 0.743 109.613 108.800 0.118 0.000 2.619 320 G HA2 -0.090 3.871 3.960 0.003 0.000 0.686 320 G HA3 -0.090 3.871 3.960 0.003 0.000 0.686 320 G C -1.008 173.963 174.900 0.119 0.000 1.256 320 G CA -0.873 44.303 45.100 0.127 0.000 0.826 320 G HN 0.542 nan 8.290 nan 0.000 0.619 321 N N -1.412 117.267 118.700 -0.036 0.000 2.467 321 N HA 0.404 5.146 4.740 0.003 0.000 0.262 321 N C 0.709 176.095 175.510 -0.206 0.000 1.234 321 N CA 0.118 52.974 53.050 -0.323 0.000 0.952 321 N CB 1.591 39.891 38.487 -0.313 0.000 1.158 321 N HN 0.836 nan 8.380 nan 0.000 0.463 322 V N 1.541 121.304 119.914 -0.251 0.000 2.694 322 V HA -0.103 4.018 4.120 0.003 0.000 0.306 322 V C 0.160 176.196 176.094 -0.097 0.000 1.054 322 V CA -0.357 61.861 62.300 -0.138 0.000 1.161 322 V CB 0.014 31.767 31.823 -0.117 0.000 0.916 322 V HN 0.828 nan 8.190 nan 0.000 0.490 323 C N 7.722 126.999 119.300 -0.037 0.000 2.619 323 C HA 0.217 4.678 4.460 0.003 0.000 0.389 323 C C 1.661 176.598 174.990 -0.088 0.000 1.314 323 C CA -0.400 58.603 59.018 -0.026 0.000 1.678 323 C CB -1.691 26.116 27.740 0.111 0.000 2.398 323 C HN 1.001 nan 8.230 nan 0.000 0.582 324 L N 5.241 126.366 121.223 -0.163 0.000 2.131 324 L HA -0.105 4.237 4.340 0.003 0.000 0.210 324 L C 2.366 179.056 176.870 -0.301 0.000 1.092 324 L CA 1.164 55.855 54.840 -0.248 0.000 0.759 324 L CB -0.399 41.488 42.059 -0.288 0.000 0.903 324 L HN 0.727 nan 8.230 nan 0.000 0.435 325 V N -0.766 118.950 119.914 -0.331 0.000 2.307 325 V HA -0.253 3.869 4.120 0.003 0.000 0.245 325 V C 2.512 178.304 176.094 -0.504 0.000 1.045 325 V CA 2.279 64.265 62.300 -0.524 0.000 1.024 325 V CB -0.797 30.557 31.823 -0.780 0.000 0.651 325 V HN 0.466 nan 8.190 nan 0.000 0.449 326 T N 0.605 115.062 114.554 -0.162 0.000 2.674 326 T HA -0.128 4.224 4.350 0.003 0.000 0.265 326 T C 1.939 176.645 174.700 0.010 0.000 1.039 326 T CA 1.605 63.754 62.100 0.082 0.000 1.150 326 T CB -0.359 68.602 68.868 0.154 0.000 0.864 326 T HN 0.245 nan 8.240 nan 0.000 0.427 327 L N 0.726 121.946 121.223 -0.005 0.000 1.971 327 L HA -0.135 4.207 4.340 0.003 0.000 0.215 327 L C 3.057 179.976 176.870 0.082 0.000 1.072 327 L CA 1.763 56.664 54.840 0.103 0.000 0.758 327 L CB -1.146 41.050 42.059 0.229 0.000 0.889 327 L HN 0.407 nan 8.230 nan 0.000 0.433 328 G N -0.450 108.251 108.800 -0.166 0.000 2.422 328 G HA2 -0.205 3.756 3.960 0.003 0.000 0.218 328 G HA3 -0.205 3.756 3.960 0.003 0.000 0.218 328 G C 1.581 176.285 174.900 -0.327 0.000 1.146 328 G CA 0.543 45.554 45.100 -0.148 0.000 0.769 328 G HN 0.260 nan 8.290 nan 0.000 0.547 329 L N 0.278 121.044 121.223 -0.761 0.000 2.418 329 L HA 0.100 4.442 4.340 0.003 0.000 0.218 329 L C 2.302 178.924 176.870 -0.414 0.000 1.125 329 L CA 0.049 54.384 54.840 -0.842 0.000 0.835 329 L CB -0.129 40.900 42.059 -1.717 0.000 0.953 329 L HN 0.080 nan 8.230 nan 0.000 0.454 330 N N -0.073 118.554 118.700 -0.122 0.000 2.331 330 N HA -0.070 4.672 4.740 0.003 0.000 0.180 330 N C 1.834 177.419 175.510 0.125 0.000 1.019 330 N CA 1.005 54.135 53.050 0.134 0.000 0.881 330 N CB -0.012 38.584 38.487 0.181 0.000 0.972 330 N HN 0.283 nan 8.380 nan 0.000 0.435 331 L N -0.777 120.525 121.223 0.131 0.000 2.023 331 L HA -0.058 4.284 4.340 0.003 0.000 0.205 331 L C 2.087 179.042 176.870 0.141 0.000 1.073 331 L CA 0.741 55.679 54.840 0.164 0.000 0.745 331 L CB -0.563 41.638 42.059 0.237 0.000 0.900 331 L HN 0.031 nan 8.230 nan 0.000 0.435 332 F N 1.586 121.535 119.950 -0.002 0.000 2.115 332 F HA -0.331 4.199 4.527 0.006 0.000 0.300 332 F C 2.622 178.425 175.800 0.004 0.000 1.092 332 F CA 1.931 59.923 58.000 -0.013 0.000 1.245 332 F CB -0.368 38.582 39.000 -0.083 0.000 0.995 332 F HN 0.142 nan 8.300 nan 0.000 0.481 333 S N -0.909 114.702 115.700 -0.148 0.000 2.558 333 S HA 0.122 4.593 4.470 0.003 0.000 0.217 333 S C 1.497 176.035 174.600 -0.103 0.000 0.975 333 S CA -0.084 58.002 58.200 -0.190 0.000 0.912 333 S CB -0.199 63.074 63.200 0.121 0.000 0.776 333 S HN 0.355 nan 8.310 nan 0.000 0.526 334 R N 0.638 121.106 120.500 -0.054 0.000 2.586 334 R HA 0.331 4.672 4.340 0.003 0.000 0.336 334 R C 1.124 177.402 176.300 -0.037 0.000 1.060 334 R CA 0.448 56.537 56.100 -0.018 0.000 1.079 334 R CB 0.135 30.456 30.300 0.035 0.000 1.317 334 R HN 0.575 nan 8.270 nan 0.000 0.568 335 G N 0.642 109.380 108.800 -0.103 0.000 2.141 335 G HA2 -0.248 3.713 3.960 0.003 0.000 0.242 335 G HA3 -0.248 3.713 3.960 0.003 0.000 0.242 335 G C 0.024 174.917 174.900 -0.011 0.000 0.982 335 G CA 0.132 45.182 45.100 -0.083 0.000 0.662 335 G HN 0.137 nan 8.290 nan 0.000 0.527 336 V N 1.133 121.067 119.914 0.033 0.000 2.398 336 V HA 0.482 4.603 4.120 0.003 0.000 0.286 336 V C 0.253 176.434 176.094 0.145 0.000 1.026 336 V CA -0.660 61.691 62.300 0.086 0.000 0.868 336 V CB 1.776 33.662 31.823 0.105 0.000 0.982 336 V HN 0.359 nan 8.190 nan 0.000 0.443 337 D N 7.654 128.141 120.400 0.144 0.000 2.382 337 D HA 0.138 4.780 4.640 0.003 0.000 0.259 337 D C -1.111 175.316 176.300 0.212 0.000 1.224 337 D CA -1.645 52.465 54.000 0.184 0.000 0.894 337 D CB 1.588 42.464 40.800 0.127 0.000 1.127 337 D HN 0.277 nan 8.370 nan 0.000 0.487 338 P HA -0.124 nan 4.420 nan 0.000 0.230 338 P C -0.200 177.321 177.300 0.369 0.000 1.158 338 P CA 0.622 63.961 63.100 0.400 0.000 0.769 338 P CB 0.077 32.057 31.700 0.466 0.000 0.807 339 Q N -1.574 118.328 119.800 0.171 0.000 2.494 339 Q HA -0.139 4.202 4.340 0.003 0.000 0.266 339 Q C -0.219 175.727 176.000 -0.090 0.000 1.053 339 Q CA 0.482 56.320 55.803 0.058 0.000 1.029 339 Q CB -1.559 27.229 28.738 0.082 0.000 1.423 339 Q HN 0.360 nan 8.270 nan 0.000 0.516 340 I N 0.244 120.688 120.570 -0.210 0.000 2.686 340 I HA 0.284 4.456 4.170 0.003 0.000 0.295 340 I C -0.229 175.470 176.117 -0.697 0.000 1.114 340 I CA -0.798 60.127 61.300 -0.625 0.000 1.038 340 I CB 1.999 39.408 38.000 -0.984 0.000 1.238 340 I HN -0.064 nan 8.210 nan 0.000 0.420 341 D N 4.235 124.214 120.400 -0.702 0.000 2.280 341 D HA 0.431 5.072 4.640 0.003 0.000 0.243 341 D C -0.458 175.360 176.300 -0.803 0.000 1.129 341 D CA 0.114 53.783 54.000 -0.552 0.000 0.848 341 D CB 0.602 41.206 40.800 -0.326 0.000 1.107 341 D HN 0.266 nan 8.370 nan 0.000 0.471 342 F N 1.541 121.335 119.950 -0.260 0.000 2.805 342 F HA 0.134 4.661 4.527 0.000 0.000 0.317 342 F C 1.961 177.622 175.800 -0.232 0.000 1.146 342 F CA -0.412 57.443 58.000 -0.243 0.000 1.265 342 F CB 0.150 38.959 39.000 -0.317 0.000 0.992 342 F HN 0.367 nan 8.300 nan 0.000 0.511 343 S N -0.868 114.769 115.700 -0.105 0.000 2.561 343 S HA -0.014 4.457 4.470 0.003 0.000 0.225 343 S C 0.779 175.343 174.600 -0.060 0.000 0.977 343 S CA 0.429 58.561 58.200 -0.113 0.000 0.926 343 S CB -0.196 62.931 63.200 -0.123 0.000 0.769 343 S HN 0.279 nan 8.310 nan 0.000 0.533 344 N N 0.838 119.520 118.700 -0.029 0.000 2.841 344 N HA 0.314 5.056 4.740 0.003 0.000 0.257 344 N C 0.144 175.686 175.510 0.055 0.000 1.396 344 N CA -0.316 52.738 53.050 0.006 0.000 0.823 344 N CB 0.554 39.040 38.487 -0.001 0.000 1.162 344 N HN 0.367 nan 8.380 nan 0.000 0.503 345 I N 0.680 121.307 120.570 0.094 0.000 2.493 345 I HA -0.187 3.984 4.170 0.003 0.000 0.254 345 I C 0.824 177.060 176.117 0.198 0.000 1.160 345 I CA 1.093 62.506 61.300 0.188 0.000 1.445 345 I CB 0.407 38.551 38.000 0.239 0.000 1.086 345 I HN 0.247 nan 8.210 nan 0.000 0.433 346 D N 0.601 121.076 120.400 0.126 0.000 2.144 346 D HA -0.226 4.415 4.640 0.003 0.000 0.200 346 D C 1.974 178.314 176.300 0.067 0.000 0.978 346 D CA 0.999 55.050 54.000 0.086 0.000 0.833 346 D CB -0.108 40.730 40.800 0.064 0.000 0.961 346 D HN 0.434 nan 8.370 nan 0.000 0.470 347 E N 0.186 120.423 120.200 0.062 0.000 2.058 347 E HA -0.171 4.181 4.350 0.003 0.000 0.194 347 E C 2.200 178.845 176.600 0.075 0.000 0.997 347 E CA 0.775 57.205 56.400 0.050 0.000 0.801 347 E CB -0.047 29.670 29.700 0.030 0.000 0.746 347 E HN 0.258 nan 8.360 nan 0.000 0.450 348 I N 0.548 121.187 120.570 0.115 0.000 2.113 348 I HA -0.308 3.863 4.170 0.003 0.000 0.238 348 I C 2.906 179.165 176.117 0.237 0.000 1.070 348 I CA 1.358 62.767 61.300 0.182 0.000 1.332 348 I CB -0.497 37.642 38.000 0.232 0.000 1.044 348 I HN 0.115 nan 8.210 nan 0.000 0.402 349 R N 1.390 122.019 120.500 0.214 0.000 2.112 349 R HA -0.237 4.104 4.340 0.003 0.000 0.242 349 R C 2.516 178.780 176.300 -0.060 0.000 1.137 349 R CA 1.971 58.012 56.100 -0.098 0.000 0.944 349 R CB -0.273 29.874 30.300 -0.255 0.000 0.857 349 R HN 0.279 nan 8.270 nan 0.000 0.435 350 R N -0.578 119.922 120.500 -0.000 0.000 2.083 350 R HA -0.099 4.243 4.340 0.003 0.000 0.237 350 R C 2.387 178.733 176.300 0.077 0.000 1.137 350 R CA 2.231 58.342 56.100 0.019 0.000 0.951 350 R CB -0.483 29.830 30.300 0.020 0.000 0.851 350 R HN 0.377 nan 8.270 nan 0.000 0.434 351 T N 0.637 115.248 114.554 0.096 0.000 2.684 351 T HA -0.120 4.232 4.350 0.003 0.000 0.267 351 T C 1.985 176.788 174.700 0.172 0.000 1.036 351 T CA 1.449 63.645 62.100 0.160 0.000 1.148 351 T CB -0.247 68.696 68.868 0.124 0.000 0.863 351 T HN 0.008 nan 8.240 nan 0.000 0.436 352 V N 1.405 121.388 119.914 0.116 0.000 2.407 352 V HA -0.156 3.966 4.120 0.003 0.000 0.248 352 V C 2.497 178.608 176.094 0.029 0.000 1.055 352 V CA 1.624 63.977 62.300 0.088 0.000 1.049 352 V CB -0.566 31.355 31.823 0.164 0.000 0.662 352 V HN 0.544 nan 8.190 nan 0.000 0.455 353 E N -0.923 119.284 120.200 0.012 0.000 2.072 353 E HA -0.221 4.130 4.350 0.003 0.000 0.190 353 E C 2.109 178.725 176.600 0.028 0.000 0.982 353 E CA 1.442 57.837 56.400 -0.008 0.000 0.803 353 E CB -0.280 29.402 29.700 -0.030 0.000 0.755 353 E HN 0.728 nan 8.360 nan 0.000 0.453 354 Y N 1.323 121.611 120.300 -0.019 0.000 2.053 354 Y HA -0.361 4.190 4.550 0.002 0.000 0.277 354 Y C 2.231 178.127 175.900 -0.007 0.000 1.159 354 Y CA 1.575 59.669 58.100 -0.009 0.000 1.125 354 Y CB -0.783 37.676 38.460 -0.002 0.000 0.969 354 Y HN 0.055 nan 8.280 nan 0.000 0.492 355 C N 0.923 120.013 119.300 -0.349 0.000 2.453 355 C HA -0.150 4.312 4.460 0.003 0.000 0.277 355 C C 2.380 177.228 174.990 -0.237 0.000 1.262 355 C CA 1.463 60.255 59.018 -0.377 0.000 1.718 355 C CB -1.272 26.390 27.740 -0.132 0.000 2.031 355 C HN 0.650 nan 8.230 nan 0.000 0.480 356 N N 0.073 118.696 118.700 -0.129 0.000 2.415 356 N HA -0.026 4.716 4.740 0.003 0.000 0.176 356 N C 0.576 176.038 175.510 -0.080 0.000 1.042 356 N CA 0.320 53.321 53.050 -0.083 0.000 0.902 356 N CB -0.448 38.018 38.487 -0.034 0.000 0.986 356 N HN 0.579 nan 8.380 nan 0.000 0.447 357 Q N -0.117 119.629 119.800 -0.090 0.000 2.435 357 Q HA -0.188 4.154 4.340 0.003 0.000 0.286 357 Q C -0.933 175.047 176.000 -0.033 0.000 1.229 357 Q CA 0.578 56.346 55.803 -0.058 0.000 0.884 357 Q CB -1.743 26.957 28.738 -0.063 0.000 1.245 357 Q HN 0.404 nan 8.270 nan 0.000 0.488 358 L N 0.532 121.738 121.223 -0.028 0.000 2.381 358 L HA 0.603 4.945 4.340 0.003 0.000 0.268 358 L C -2.000 174.855 176.870 -0.025 0.000 0.997 358 L CA -2.155 52.676 54.840 -0.015 0.000 0.818 358 L CB 1.771 43.829 42.059 -0.001 0.000 1.310 358 L HN -0.112 nan 8.230 nan 0.000 0.416 359 P HA 0.150 nan 4.420 nan 0.000 0.277 359 P C -0.741 176.528 177.300 -0.052 0.000 1.240 359 P CA -0.362 62.715 63.100 -0.039 0.000 0.798 359 P CB 1.489 33.181 31.700 -0.012 0.000 0.979 360 V N 3.723 123.545 119.914 -0.154 0.000 2.455 360 V HA 0.037 4.159 4.120 0.003 0.000 0.273 360 V C 1.214 177.290 176.094 -0.030 0.000 1.045 360 V CA -0.341 61.833 62.300 -0.210 0.000 0.976 360 V CB -0.606 30.825 31.823 -0.654 0.000 0.993 360 V HN 0.635 nan 8.190 nan 0.000 0.475 361 H N 3.551 122.637 119.070 0.027 0.000 2.972 361 H HA -0.026 4.532 4.556 0.002 0.000 0.343 361 H C 1.084 176.431 175.328 0.033 0.000 1.054 361 H CA 0.135 56.207 56.048 0.040 0.000 1.412 361 H CB 0.922 30.725 29.762 0.068 0.000 1.385 361 H HN 0.773 nan 8.280 nan 0.000 0.600 362 E N 2.963 122.793 120.200 -0.616 0.000 2.253 362 E HA -0.210 4.141 4.350 0.003 0.000 0.202 362 E C 1.197 177.659 176.600 -0.230 0.000 1.014 362 E CA 1.464 57.623 56.400 -0.402 0.000 0.823 362 E CB 0.102 29.547 29.700 -0.425 0.000 0.736 362 E HN 0.552 nan 8.360 nan 0.000 0.478 363 R N -0.603 119.785 120.500 -0.187 0.000 2.543 363 R HA 0.155 4.496 4.340 0.003 0.000 0.323 363 R C -0.294 176.068 176.300 0.104 0.000 1.002 363 R CA -0.245 55.858 56.100 0.005 0.000 1.106 363 R CB 0.175 30.513 30.300 0.064 0.000 1.280 363 R HN 0.244 nan 8.270 nan 0.000 0.549 364 H N 2.630 121.749 119.070 0.080 0.000 2.964 364 H HA 0.061 4.618 4.556 0.002 0.000 0.328 364 H C -2.154 173.212 175.328 0.062 0.000 1.030 364 H CA -1.151 54.971 56.048 0.124 0.000 1.445 364 H CB 0.711 30.595 29.762 0.203 0.000 1.449 364 H HN -0.162 nan 8.280 nan 0.000 0.581 365 P HA -0.177 nan 4.420 nan 0.000 0.261 365 P C -0.499 176.882 177.300 0.135 0.000 1.165 365 P CA 0.949 64.019 63.100 -0.050 0.000 0.759 365 P CB 0.080 31.716 31.700 -0.105 0.000 0.772 366 Y N 1.058 121.412 120.300 0.089 0.000 3.300 366 Y HA -0.316 4.236 4.550 0.003 0.000 0.453 366 Y C 1.943 177.971 175.900 0.213 0.000 1.180 366 Y CA 2.164 60.338 58.100 0.123 0.000 2.522 366 Y CB -2.369 36.136 38.460 0.076 0.000 0.854 366 Y HN 0.526 nan 8.280 nan 0.000 0.511 367 G N -0.502 108.545 108.800 0.412 0.000 2.784 367 G HA2 0.413 4.374 3.960 0.003 0.000 0.208 367 G HA3 0.413 4.374 3.960 0.003 0.000 0.208 367 G C 0.977 175.967 174.900 0.149 0.000 1.120 367 G CA 0.338 45.680 45.100 0.404 0.000 0.774 367 G HN 0.706 nan 8.290 nan 0.000 0.528 368 G N 0.347 109.211 108.800 0.107 0.000 2.544 368 G HA2 0.300 4.261 3.960 0.003 0.000 0.242 368 G HA3 0.300 4.261 3.960 0.003 0.000 0.242 368 G C 0.461 175.355 174.900 -0.010 0.000 1.247 368 G CA -0.142 44.966 45.100 0.012 0.000 0.840 368 G HN -0.005 nan 8.290 nan 0.000 0.578 369 D N 0.626 121.007 120.400 -0.033 0.000 2.203 369 D HA -0.135 4.507 4.640 0.003 0.000 0.199 369 D C 2.237 178.551 176.300 0.022 0.000 0.997 369 D CA 1.096 55.094 54.000 -0.003 0.000 0.863 369 D CB 0.168 40.952 40.800 -0.028 0.000 0.928 369 D HN 0.306 nan 8.370 nan 0.000 0.458 370 L N 0.526 121.747 121.223 -0.002 0.000 2.607 370 L HA 0.057 4.399 4.340 0.003 0.000 0.228 370 L C 2.076 178.952 176.870 0.009 0.000 1.123 370 L CA -0.050 54.819 54.840 0.049 0.000 0.890 370 L CB 0.410 42.505 42.059 0.061 0.000 1.103 370 L HN -0.074 nan 8.230 nan 0.000 0.468 371 V N -3.724 116.113 119.914 -0.128 0.000 3.217 371 V HA -0.132 3.989 4.120 0.003 0.000 0.264 371 V C 1.095 176.893 176.094 -0.494 0.000 1.135 371 V CA 1.027 63.133 62.300 -0.324 0.000 1.142 371 V CB -0.853 30.704 31.823 -0.443 0.000 0.754 371 V HN 0.353 nan 8.190 nan 0.000 0.484 372 Y N 1.815 122.208 120.300 0.155 0.000 2.720 372 Y HA 0.473 5.024 4.550 0.002 0.000 0.277 372 Y C 1.148 177.202 175.900 0.257 0.000 1.144 372 Y CA -0.229 58.000 58.100 0.215 0.000 1.221 372 Y CB -0.355 38.223 38.460 0.196 0.000 1.163 372 Y HN 0.390 nan 8.280 nan 0.000 0.537 373 T N -1.498 113.216 114.554 0.266 0.000 2.945 373 T HA 0.883 5.234 4.350 0.003 0.000 0.286 373 T C -0.233 174.648 174.700 0.301 0.000 1.025 373 T CA -0.852 61.362 62.100 0.190 0.000 1.039 373 T CB 2.277 71.193 68.868 0.081 0.000 1.068 373 T HN 0.168 nan 8.240 nan 0.000 0.497 374 A N 1.338 124.301 122.820 0.238 0.000 2.359 374 A HA 0.736 5.057 4.320 0.003 0.000 0.303 374 A C -0.294 177.364 177.584 0.124 0.000 1.066 374 A CA -0.850 51.364 52.037 0.295 0.000 0.730 374 A CB 0.671 19.908 19.000 0.396 0.000 1.211 374 A HN 0.753 nan 8.150 nan 0.000 0.439 375 F N 1.220 121.169 119.950 -0.002 0.000 2.622 375 F HA 0.187 4.715 4.527 0.002 0.000 0.288 375 F C 1.761 177.507 175.800 -0.091 0.000 1.120 375 F CA 0.669 58.641 58.000 -0.047 0.000 1.423 375 F CB 0.218 39.183 39.000 -0.059 0.000 1.127 375 F HN 0.497 nan 8.300 nan 0.000 0.588 376 S N 0.616 116.327 115.700 0.018 0.000 2.498 376 S HA 0.245 4.716 4.470 0.003 0.000 0.281 376 S C 1.590 176.138 174.600 -0.087 0.000 1.265 376 S CA 0.184 58.277 58.200 -0.179 0.000 1.071 376 S CB 0.842 63.627 63.200 -0.691 0.000 0.894 376 S HN 0.419 nan 8.310 nan 0.000 0.491 377 G N 3.567 112.334 108.800 -0.054 0.000 2.442 377 G HA2 -0.231 3.731 3.960 0.003 0.000 0.219 377 G HA3 -0.231 3.731 3.960 0.003 0.000 0.219 377 G C 1.688 176.595 174.900 0.011 0.000 1.141 377 G CA 1.102 46.195 45.100 -0.011 0.000 0.763 377 G HN 0.941 nan 8.290 nan 0.000 0.554 378 S N -0.466 115.233 115.700 -0.002 0.000 2.395 378 S HA -0.029 4.443 4.470 0.003 0.000 0.225 378 S C 1.891 176.558 174.600 0.110 0.000 1.027 378 S CA 1.074 59.309 58.200 0.058 0.000 0.965 378 S CB -0.760 62.481 63.200 0.069 0.000 0.812 378 S HN 0.647 nan 8.310 nan 0.000 0.482 379 H N 1.626 120.570 119.070 -0.211 0.000 2.319 379 H HA -0.107 4.451 4.556 0.004 0.000 0.299 379 H C 2.594 177.867 175.328 -0.091 0.000 1.092 379 H CA 1.707 57.503 56.048 -0.419 0.000 1.302 379 H CB -0.183 29.189 29.762 -0.651 0.000 1.373 379 H HN 0.505 nan 8.280 nan 0.000 0.497 380 Q N 0.356 120.236 119.800 0.133 0.000 2.045 380 Q HA -0.220 4.122 4.340 0.003 0.000 0.206 380 Q C 2.052 178.128 176.000 0.128 0.000 0.991 380 Q CA 2.000 57.908 55.803 0.175 0.000 0.851 380 Q CB -0.116 28.704 28.738 0.136 0.000 0.911 380 Q HN 0.460 nan 8.270 nan 0.000 0.418 381 D N -0.312 120.143 120.400 0.092 0.000 2.117 381 D HA -0.151 4.491 4.640 0.003 0.000 0.197 381 D C 1.730 178.073 176.300 0.072 0.000 0.987 381 D CA 1.406 55.450 54.000 0.073 0.000 0.829 381 D CB -0.024 40.811 40.800 0.058 0.000 0.961 381 D HN 0.275 nan 8.370 nan 0.000 0.460 382 A N -0.089 122.794 122.820 0.105 0.000 1.929 382 A HA -0.044 4.278 4.320 0.003 0.000 0.216 382 A C 2.304 179.922 177.584 0.057 0.000 1.176 382 A CA 0.856 52.959 52.037 0.110 0.000 0.628 382 A CB -0.719 18.419 19.000 0.231 0.000 0.816 382 A HN 0.360 nan 8.150 nan 0.000 0.444 383 I N 0.388 120.994 120.570 0.060 0.000 2.091 383 I HA -0.350 3.822 4.170 0.003 0.000 0.239 383 I C 2.228 178.291 176.117 -0.090 0.000 1.061 383 I CA 1.592 62.848 61.300 -0.073 0.000 1.317 383 I CB -0.531 37.328 38.000 -0.235 0.000 1.031 383 I HN 0.303 nan 8.210 nan 0.000 0.401 384 N N 0.967 119.660 118.700 -0.012 0.000 2.060 384 N HA -0.235 4.507 4.740 0.003 0.000 0.195 384 N C 1.795 177.297 175.510 -0.014 0.000 1.028 384 N CA 1.527 54.586 53.050 0.015 0.000 0.861 384 N CB -0.380 38.141 38.487 0.057 0.000 1.029 384 N HN 0.357 nan 8.380 nan 0.000 0.428 385 K N -0.041 120.350 120.400 -0.015 0.000 2.097 385 K HA -0.025 4.297 4.320 0.003 0.000 0.206 385 K C 2.097 178.656 176.600 -0.068 0.000 1.049 385 K CA 1.211 57.482 56.287 -0.028 0.000 0.933 385 K CB -0.401 32.091 32.500 -0.015 0.000 0.717 385 K HN 0.245 nan 8.250 nan 0.000 0.442 386 G N 1.034 109.770 108.800 -0.106 0.000 2.433 386 G HA2 -0.230 3.731 3.960 0.003 0.000 0.216 386 G HA3 -0.230 3.731 3.960 0.003 0.000 0.216 386 G C 1.433 176.204 174.900 -0.215 0.000 1.186 386 G CA 0.644 45.631 45.100 -0.188 0.000 0.779 386 G HN 0.108 nan 8.290 nan 0.000 0.543 387 L N 0.559 121.671 121.223 -0.186 0.000 2.012 387 L HA -0.095 4.247 4.340 0.003 0.000 0.210 387 L C 2.588 179.420 176.870 -0.063 0.000 1.073 387 L CA 1.355 56.119 54.840 -0.127 0.000 0.748 387 L CB -0.469 41.563 42.059 -0.045 0.000 0.891 387 L HN 0.109 nan 8.230 nan 0.000 0.431 388 D N 0.222 120.597 120.400 -0.041 0.000 2.117 388 D HA -0.165 4.476 4.640 0.003 0.000 0.197 388 D C 2.221 178.501 176.300 -0.033 0.000 0.987 388 D CA 1.574 55.561 54.000 -0.022 0.000 0.829 388 D CB -0.069 40.724 40.800 -0.012 0.000 0.961 388 D HN 0.341 nan 8.370 nan 0.000 0.460 389 A N 0.531 123.317 122.820 -0.056 0.000 1.898 389 A HA -0.113 4.209 4.320 0.003 0.000 0.216 389 A C 2.276 179.823 177.584 -0.060 0.000 1.181 389 A CA 1.069 53.072 52.037 -0.057 0.000 0.620 389 A CB -0.514 18.442 19.000 -0.073 0.000 0.819 389 A HN 0.124 nan 8.150 nan 0.000 0.442 390 M N -0.623 118.926 119.600 -0.086 0.000 2.108 390 M HA -0.177 4.305 4.480 0.003 0.000 0.261 390 M C 2.467 178.752 176.300 -0.024 0.000 1.066 390 M CA 2.080 57.338 55.300 -0.071 0.000 1.107 390 M CB -0.199 32.334 32.600 -0.111 0.000 1.356 390 M HN 0.446 nan 8.290 nan 0.000 0.406 391 K N 0.518 120.909 120.400 -0.015 0.000 2.025 391 K HA -0.089 4.232 4.320 0.003 0.000 0.207 391 K C 2.078 178.679 176.600 0.003 0.000 1.049 391 K CA 1.332 57.623 56.287 0.007 0.000 0.933 391 K CB -1.530 30.979 32.500 0.015 0.000 0.714 391 K HN 0.459 nan 8.250 nan 0.000 0.438 392 L N 0.629 121.848 121.223 -0.006 0.000 2.127 392 L HA -0.103 4.238 4.340 0.003 0.000 0.211 392 L C 2.271 179.138 176.870 -0.005 0.000 1.089 392 L CA 2.922 57.759 54.840 -0.005 0.000 0.757 392 L CB -1.458 40.596 42.059 -0.009 0.000 0.899 392 L HN 0.407 nan 8.230 nan 0.000 0.434 393 D N -0.899 119.495 120.400 -0.009 0.000 2.234 393 D HA 0.118 4.759 4.640 0.003 0.000 0.205 393 D C 2.409 178.710 176.300 0.002 0.000 0.962 393 D CA 1.366 55.362 54.000 -0.007 0.000 0.855 393 D CB 0.112 40.904 40.800 -0.014 0.000 0.951 393 D HN 0.626 nan 8.370 nan 0.000 0.500 394 A N 0.741 123.566 122.820 0.008 0.000 1.903 394 A HA -0.100 4.221 4.320 0.003 0.000 0.213 394 A C 1.758 179.350 177.584 0.014 0.000 1.185 394 A CA 1.061 53.108 52.037 0.016 0.000 0.628 394 A CB -0.169 18.847 19.000 0.026 0.000 0.830 394 A HN -0.023 nan 8.150 nan 0.000 0.446 395 D N 0.645 121.052 120.400 0.012 0.000 2.104 395 D HA -0.103 4.538 4.640 0.003 0.000 0.194 395 D C 2.149 178.453 176.300 0.007 0.000 0.994 395 D CA 1.653 55.659 54.000 0.010 0.000 0.830 395 D CB -0.505 40.301 40.800 0.009 0.000 0.959 395 D HN 0.409 nan 8.370 nan 0.000 0.452 396 A N 0.542 123.365 122.820 0.004 0.000 2.019 396 A HA 0.035 4.356 4.320 0.003 0.000 0.219 396 A C 2.036 179.622 177.584 0.003 0.000 1.164 396 A CA 1.851 53.889 52.037 0.002 0.000 0.644 396 A CB -0.239 18.760 19.000 -0.001 0.000 0.805 396 A HN 0.237 nan 8.150 nan 0.000 0.449 397 A N -1.906 120.918 122.820 0.005 0.000 2.430 397 A HA 0.445 4.767 4.320 0.003 0.000 0.243 397 A C 0.826 178.415 177.584 0.009 0.000 1.254 397 A CA 1.333 53.374 52.037 0.006 0.000 0.914 397 A CB -1.060 17.944 19.000 0.007 0.000 0.998 397 A HN 1.521 nan 8.150 nan 0.000 0.515 398 D N -1.020 119.385 120.400 0.009 0.000 2.704 398 D HA -0.126 4.516 4.640 0.003 0.000 0.232 398 D C 0.049 176.357 176.300 0.014 0.000 1.183 398 D CA 1.089 55.096 54.000 0.010 0.000 0.647 398 D CB -2.406 38.399 40.800 0.008 0.000 1.013 398 D HN 0.549 nan 8.370 nan 0.000 0.415 399 C N 0.497 119.807 119.300 0.017 0.000 2.667 399 C HA 0.706 5.167 4.460 0.003 0.000 0.323 399 C C 0.119 175.126 174.990 0.028 0.000 1.214 399 C CA -0.983 58.048 59.018 0.022 0.000 1.721 399 C CB 2.068 29.822 27.740 0.023 0.000 2.275 399 C HN 0.707 nan 8.230 nan 0.000 0.491 400 D N 1.287 121.706 120.400 0.032 0.000 2.343 400 D HA 0.053 4.695 4.640 0.003 0.000 0.255 400 D C 0.943 177.275 176.300 0.053 0.000 1.187 400 D CA 0.323 54.347 54.000 0.041 0.000 0.875 400 D CB 1.412 42.236 40.800 0.040 0.000 1.136 400 D HN 0.355 nan 8.370 nan 0.000 0.469 401 V N 4.390 124.339 119.914 0.059 0.000 2.380 401 V HA -0.250 3.871 4.120 0.003 0.000 0.251 401 V C 1.160 177.320 176.094 0.110 0.000 1.063 401 V CA 1.949 64.296 62.300 0.077 0.000 1.055 401 V CB -0.177 31.691 31.823 0.075 0.000 0.657 401 V HN 0.563 nan 8.190 nan 0.000 0.455 402 D N -0.111 120.350 120.400 0.103 0.000 2.384 402 D HA -0.107 4.535 4.640 0.003 0.000 0.222 402 D C 1.333 177.692 176.300 0.097 0.000 0.976 402 D CA 1.057 55.122 54.000 0.109 0.000 0.915 402 D CB -0.169 40.679 40.800 0.079 0.000 0.896 402 D HN 0.547 nan 8.370 nan 0.000 0.523 403 D N -0.806 119.644 120.400 0.084 0.000 2.379 403 D HA 0.128 4.770 4.640 0.003 0.000 0.208 403 D C 0.766 177.111 176.300 0.075 0.000 1.065 403 D CA 0.123 54.166 54.000 0.071 0.000 0.848 403 D CB 0.575 41.406 40.800 0.052 0.000 0.949 403 D HN 0.201 nan 8.370 nan 0.000 0.509 404 M N 0.238 119.893 119.600 0.091 0.000 2.654 404 M HA 0.254 4.736 4.480 0.003 0.000 0.310 404 M C -0.347 176.019 176.300 0.110 0.000 1.211 404 M CA -1.262 54.086 55.300 0.080 0.000 0.947 404 M CB 2.123 34.760 32.600 0.061 0.000 1.647 404 M HN -0.223 nan 8.290 nan 0.000 0.481 405 L N 2.872 124.141 121.223 0.076 0.000 2.700 405 L HA -0.116 4.226 4.340 0.003 0.000 0.276 405 L C -0.661 176.283 176.870 0.124 0.000 1.200 405 L CA 0.925 55.813 54.840 0.080 0.000 0.951 405 L CB -0.123 41.955 42.059 0.032 0.000 1.226 405 L HN 0.577 nan 8.230 nan 0.000 0.489 406 W N 7.312 128.599 121.300 -0.021 0.000 2.381 406 W HA 0.111 4.770 4.660 -0.003 0.000 0.321 406 W C -0.716 175.790 176.519 -0.023 0.000 1.407 406 W CA -0.456 56.881 57.345 -0.013 0.000 1.274 406 W CB 0.632 30.090 29.460 -0.003 0.000 1.310 406 W HN 0.557 nan 8.180 nan 0.000 0.551 407 Q N 6.026 125.526 119.800 -0.499 0.000 3.300 407 Q HA 0.228 4.569 4.340 0.003 0.000 0.271 407 Q C -1.219 174.408 176.000 -0.622 0.000 0.926 407 Q CA -0.288 55.255 55.803 -0.433 0.000 0.788 407 Q CB 1.280 29.878 28.738 -0.234 0.000 1.385 407 Q HN 0.271 nan 8.270 nan 0.000 0.424 408 V N 2.075 121.501 119.914 -0.814 0.000 2.525 408 V HA 0.396 4.518 4.120 0.003 0.000 0.299 408 V C -2.285 173.619 176.094 -0.317 0.000 1.034 408 V CA -1.900 60.013 62.300 -0.644 0.000 0.863 408 V CB 2.147 33.397 31.823 -0.955 0.000 0.999 408 V HN 0.320 nan 8.190 nan 0.000 0.423 409 P HA 0.211 nan 4.420 nan 0.000 0.268 409 P C -0.209 176.990 177.300 -0.168 0.000 1.208 409 P CA 0.471 63.372 63.100 -0.331 0.000 0.777 409 P CB 0.066 31.547 31.700 -0.366 0.000 0.875 410 Y N -1.989 118.262 120.300 -0.080 0.000 4.893 410 Y HA -0.239 4.313 4.550 0.004 0.000 0.257 410 Y C 0.251 176.194 175.900 0.072 0.000 0.958 410 Y CA 0.248 58.316 58.100 -0.053 0.000 1.897 410 Y CB -2.015 36.364 38.460 -0.134 0.000 1.352 410 Y HN 0.214 nan 8.280 nan 0.000 0.499 411 L N 2.639 124.009 121.223 0.246 0.000 2.353 411 L HA 0.304 4.646 4.340 0.003 0.000 0.270 411 L C -1.423 175.727 176.870 0.467 0.000 1.003 411 L CA -1.839 53.236 54.840 0.391 0.000 0.862 411 L CB 1.446 43.816 42.059 0.519 0.000 1.221 411 L HN -0.290 nan 8.230 nan 0.000 0.430 412 P HA -0.136 nan 4.420 nan 0.000 0.217 412 P C 0.259 177.738 177.300 0.300 0.000 1.148 412 P CA 1.450 64.719 63.100 0.282 0.000 0.828 412 P CB 0.270 32.092 31.700 0.204 0.000 0.783 413 I N -4.815 115.879 120.570 0.207 0.000 3.042 413 I HA 0.531 4.703 4.170 0.003 0.000 0.310 413 I C -0.743 174.892 176.117 -0.802 0.000 1.117 413 I CA -1.554 59.633 61.300 -0.189 0.000 1.003 413 I CB 2.080 40.166 38.000 0.143 0.000 1.228 413 I HN -0.415 nan 8.210 nan 0.000 0.443 414 D N 4.764 124.229 120.400 -1.558 0.000 2.382 414 D HA 0.201 4.842 4.640 0.003 0.000 0.259 414 D C -1.780 174.128 176.300 -0.652 0.000 1.224 414 D CA -1.949 51.076 54.000 -1.625 0.000 0.894 414 D CB 1.477 41.500 40.800 -1.295 0.000 1.127 414 D HN 0.316 nan 8.370 nan 0.000 0.487 415 P HA -0.126 nan 4.420 nan 0.000 0.218 415 P C 1.319 178.376 177.300 -0.404 0.000 1.149 415 P CA 0.612 63.315 63.100 -0.663 0.000 0.817 415 P CB 0.229 31.566 31.700 -0.605 0.000 0.785 416 R N -0.556 119.791 120.500 -0.256 0.000 2.200 416 R HA -0.111 4.231 4.340 0.003 0.000 0.234 416 R C 1.547 177.765 176.300 -0.136 0.000 1.127 416 R CA 1.392 57.407 56.100 -0.142 0.000 0.989 416 R CB -2.059 28.201 30.300 -0.067 0.000 0.869 416 R HN 0.394 nan 8.270 nan 0.000 0.459 417 D N -0.149 120.148 120.400 -0.171 0.000 2.347 417 D HA -0.028 4.614 4.640 0.003 0.000 0.215 417 D C 1.426 177.617 176.300 -0.182 0.000 0.976 417 D CA 1.173 55.102 54.000 -0.119 0.000 0.884 417 D CB 0.315 41.116 40.800 0.003 0.000 0.915 417 D HN 0.448 nan 8.370 nan 0.000 0.526 418 V N -4.417 115.391 119.914 -0.176 0.000 3.276 418 V HA 0.560 4.682 4.120 0.003 0.000 0.319 418 V C 1.250 177.299 176.094 -0.075 0.000 1.427 418 V CA 0.251 62.477 62.300 -0.123 0.000 1.102 418 V CB 0.277 32.066 31.823 -0.058 0.000 1.020 418 V HN 0.102 nan 8.190 nan 0.000 0.456 419 G N 0.928 109.674 108.800 -0.090 0.000 2.143 419 G HA2 -0.210 3.752 3.960 0.003 0.000 0.249 419 G HA3 -0.210 3.752 3.960 0.003 0.000 0.249 419 G C 0.337 175.210 174.900 -0.045 0.000 0.981 419 G CA 0.362 45.434 45.100 -0.046 0.000 0.665 419 G HN 0.583 nan 8.290 nan 0.000 0.528 420 R N -0.309 120.117 120.500 -0.122 0.000 2.705 420 R HA 0.784 5.126 4.340 0.003 0.000 0.246 420 R C -0.293 175.940 176.300 -0.112 0.000 1.142 420 R CA -0.077 55.947 56.100 -0.128 0.000 1.114 420 R CB 0.619 30.769 30.300 -0.250 0.000 1.256 420 R HN 0.173 nan 8.270 nan 0.000 0.536 421 T N 0.722 115.260 114.554 -0.026 0.000 2.886 421 T HA 0.188 4.539 4.350 0.003 0.000 0.292 421 T C -0.936 173.846 174.700 0.138 0.000 1.012 421 T CA -0.600 61.533 62.100 0.055 0.000 0.982 421 T CB 1.090 70.002 68.868 0.073 0.000 1.018 421 T HN 0.402 nan 8.240 nan 0.000 0.451 422 Y N 2.712 123.065 120.300 0.089 0.000 2.597 422 Y HA 0.338 4.890 4.550 0.004 0.000 0.336 422 Y C 0.362 176.332 175.900 0.116 0.000 1.216 422 Y CA -0.609 57.585 58.100 0.157 0.000 1.463 422 Y CB 0.482 39.056 38.460 0.191 0.000 1.303 422 Y HN 0.713 nan 8.280 nan 0.000 0.576 423 E N 5.168 125.025 120.200 -0.572 0.000 2.283 423 E HA 0.592 4.944 4.350 0.003 0.000 0.258 423 E C -1.657 174.484 176.600 -0.764 0.000 0.893 423 E CA -0.967 55.058 56.400 -0.626 0.000 0.798 423 E CB 0.829 30.380 29.700 -0.249 0.000 1.242 423 E HN 0.894 nan 8.360 nan 0.000 0.414 424 A N 4.360 126.677 122.820 -0.838 0.000 2.410 424 A HA 0.347 4.668 4.320 0.003 0.000 0.292 424 A C -0.212 177.161 177.584 -0.352 0.000 1.232 424 A CA -0.384 51.405 52.037 -0.412 0.000 0.893 424 A CB 0.300 19.170 19.000 -0.217 0.000 1.131 424 A HN 0.405 nan 8.150 nan 0.000 0.530 425 V N 5.232 124.888 119.914 -0.431 0.000 2.406 425 V HA 0.240 4.362 4.120 0.003 0.000 0.272 425 V C 0.075 175.957 176.094 -0.352 0.000 1.043 425 V CA -0.466 61.526 62.300 -0.512 0.000 0.915 425 V CB 0.847 32.022 31.823 -1.080 0.000 0.988 425 V HN 0.660 nan 8.190 nan 0.000 0.466 426 I N 4.532 124.962 120.570 -0.233 0.000 2.498 426 I HA 0.498 4.670 4.170 0.003 0.000 0.301 426 I C 0.313 176.382 176.117 -0.080 0.000 0.984 426 I CA -1.007 60.209 61.300 -0.141 0.000 1.204 426 I CB 1.626 39.539 38.000 -0.146 0.000 1.362 426 I HN 0.511 nan 8.210 nan 0.000 0.471 427 R N 3.074 123.558 120.500 -0.027 0.000 2.221 427 R HA 0.450 4.792 4.340 0.003 0.000 0.327 427 R C -0.924 175.385 176.300 0.015 0.000 1.033 427 R CA -0.290 55.819 56.100 0.014 0.000 0.887 427 R CB 0.732 31.056 30.300 0.041 0.000 1.057 427 R HN 0.351 nan 8.270 nan 0.000 0.455 428 V N 3.330 123.263 119.914 0.031 0.000 2.311 428 V HA 0.304 4.426 4.120 0.003 0.000 0.275 428 V C 1.171 177.297 176.094 0.054 0.000 1.022 428 V CA -0.672 61.658 62.300 0.049 0.000 0.830 428 V CB 0.350 32.215 31.823 0.070 0.000 1.012 428 V HN 0.991 nan 8.190 nan 0.000 0.452 435 G N -1.642 107.177 108.800 0.031 0.000 2.721 435 G HA2 0.811 4.773 3.960 0.003 0.000 0.296 435 G HA3 0.811 4.773 3.960 0.003 0.000 0.296 435 G C 0.298 175.262 174.900 0.106 0.000 1.383 435 G CA -0.133 45.019 45.100 0.086 0.000 0.788 435 G HN 1.696 nan 8.290 nan 0.000 0.500 436 G N -2.139 106.716 108.800 0.092 0.000 2.907 436 G HA2 0.188 4.150 3.960 0.003 0.000 0.686 436 G HA3 0.188 4.150 3.960 0.003 0.000 0.686 436 G C 0.661 175.623 174.900 0.102 0.000 1.115 436 G CA 0.063 45.211 45.100 0.080 0.000 0.760 436 G HN 1.430 nan 8.290 nan 0.000 0.620 437 V N 2.571 122.520 119.914 0.059 0.000 2.233 437 V HA -0.153 3.969 4.120 0.003 0.000 0.247 437 V C 3.438 179.559 176.094 0.045 0.000 1.050 437 V CA 3.547 65.893 62.300 0.076 0.000 1.010 437 V CB -1.414 30.458 31.823 0.081 0.000 0.637 437 V HN 1.879 nan 8.190 nan 0.000 0.444 438 A N -0.774 122.053 122.820 0.012 0.000 1.869 438 A HA -0.343 3.979 4.320 0.003 0.000 0.218 438 A C 2.187 179.761 177.584 -0.016 0.000 1.203 438 A CA 2.577 54.593 52.037 -0.036 0.000 0.638 438 A CB -1.052 17.921 19.000 -0.045 0.000 0.831 438 A HN 0.660 nan 8.150 nan 0.000 0.450 439 Y N 0.689 120.952 120.300 -0.062 0.000 2.128 439 Y HA -0.232 4.319 4.550 0.002 0.000 0.284 439 Y C 2.087 177.961 175.900 -0.045 0.000 1.154 439 Y CA 1.881 59.948 58.100 -0.055 0.000 1.149 439 Y CB -0.114 38.321 38.460 -0.041 0.000 0.976 439 Y HN 0.282 nan 8.280 nan 0.000 0.505 440 I N -0.435 120.104 120.570 -0.050 0.000 2.315 440 I HA -0.295 3.876 4.170 0.003 0.000 0.248 440 I C 2.208 178.269 176.117 -0.093 0.000 1.117 440 I CA 1.225 62.471 61.300 -0.090 0.000 1.404 440 I CB -1.232 36.809 38.000 0.068 0.000 1.071 440 I HN 0.351 nan 8.210 nan 0.000 0.419 441 M N 0.551 120.111 119.600 -0.068 0.000 2.086 441 M HA -0.179 4.303 4.480 0.003 0.000 0.261 441 M C 2.447 178.672 176.300 -0.125 0.000 1.067 441 M CA 1.468 56.722 55.300 -0.077 0.000 1.116 441 M CB -1.195 31.280 32.600 -0.208 0.000 1.348 441 M HN 0.161 nan 8.290 nan 0.000 0.407 442 K N -0.150 120.131 120.400 -0.198 0.000 2.025 442 K HA -0.086 4.235 4.320 0.003 0.000 0.207 442 K C 2.044 178.494 176.600 -0.250 0.000 1.049 442 K CA 1.895 58.056 56.287 -0.211 0.000 0.933 442 K CB -0.854 31.511 32.500 -0.225 0.000 0.714 442 K HN 0.584 nan 8.250 nan 0.000 0.438 443 T N 0.690 115.020 114.554 -0.372 0.000 2.732 443 T HA -0.070 4.282 4.350 0.003 0.000 0.261 443 T C 1.549 176.047 174.700 -0.337 0.000 1.040 443 T CA 1.626 63.499 62.100 -0.378 0.000 1.145 443 T CB -0.453 68.087 68.868 -0.547 0.000 0.866 443 T HN 0.411 nan 8.240 nan 0.000 0.427 444 D N 0.144 120.317 120.400 -0.378 0.000 2.234 444 D HA -0.009 4.632 4.640 0.003 0.000 0.205 444 D C 1.483 177.209 176.300 -0.957 0.000 0.962 444 D CA 0.903 54.532 54.000 -0.619 0.000 0.855 444 D CB -0.001 40.399 40.800 -0.666 0.000 0.951 444 D HN 0.548 nan 8.370 nan 0.000 0.500 445 H N -2.198 116.669 119.070 -0.338 0.000 3.398 445 H HA 0.299 4.857 4.556 0.003 0.000 0.260 445 H C 1.138 176.340 175.328 -0.210 0.000 1.189 445 H CA 0.495 56.306 56.048 -0.395 0.000 1.145 445 H CB 1.153 30.541 29.762 -0.624 0.000 1.599 445 H HN 0.079 nan 8.280 nan 0.000 0.615 446 G N 2.042 110.782 108.800 -0.100 0.000 2.203 446 G HA2 -0.285 3.676 3.960 0.003 0.000 0.263 446 G HA3 -0.285 3.676 3.960 0.003 0.000 0.263 446 G C 0.056 175.019 174.900 0.106 0.000 1.012 446 G CA 0.339 45.423 45.100 -0.026 0.000 0.749 446 G HN 0.268 nan 8.290 nan 0.000 0.512 447 L N 0.767 122.038 121.223 0.080 0.000 2.287 447 L HA 0.502 4.843 4.340 0.003 0.000 0.287 447 L C 0.333 177.160 176.870 -0.072 0.000 1.022 447 L CA -0.655 54.299 54.840 0.191 0.000 0.814 447 L CB 1.972 44.149 42.059 0.196 0.000 1.217 447 L HN 0.054 nan 8.230 nan 0.000 0.420 448 S N 4.974 120.507 115.700 -0.278 0.000 2.681 448 S HA 0.371 4.843 4.470 0.003 0.000 0.313 448 S C 0.181 174.484 174.600 -0.497 0.000 1.137 448 S CA -0.591 57.355 58.200 -0.422 0.000 1.045 448 S CB -0.286 62.560 63.200 -0.591 0.000 1.208 448 S HN 0.357 nan 8.310 nan 0.000 0.523 449 L N 3.931 124.856 121.223 -0.497 0.000 2.499 449 L HA 0.195 4.536 4.340 0.003 0.000 0.273 449 L C -2.126 174.295 176.870 -0.749 0.000 1.195 449 L CA -1.793 52.602 54.840 -0.741 0.000 0.882 449 L CB -0.431 41.315 42.059 -0.522 0.000 1.133 449 L HN 0.210 nan 8.230 nan 0.000 0.483 450 P HA -0.037 nan 4.420 nan 0.000 0.265 450 P C 0.780 177.689 177.300 -0.652 0.000 1.187 450 P CA 0.276 62.832 63.100 -0.908 0.000 0.766 450 P CB 0.562 31.534 31.700 -1.213 0.000 0.820 451 R N 4.378 124.626 120.500 -0.420 0.000 2.119 451 R HA -0.240 4.102 4.340 0.003 0.000 0.246 451 R C 2.033 178.201 176.300 -0.220 0.000 1.146 451 R CA 2.187 58.134 56.100 -0.255 0.000 0.962 451 R CB -1.717 28.497 30.300 -0.144 0.000 0.863 451 R HN 0.526 nan 8.270 nan 0.000 0.442 452 R N -0.417 119.974 120.500 -0.181 0.000 2.148 452 R HA 0.168 4.509 4.340 0.003 0.000 0.223 452 R C 2.478 178.652 176.300 -0.211 0.000 1.088 452 R CA 1.065 57.162 56.100 -0.004 0.000 0.985 452 R CB -0.416 30.099 30.300 0.359 0.000 0.880 452 R HN 0.458 nan 8.270 nan 0.000 0.451 453 L N 1.084 121.798 121.223 -0.848 0.000 2.027 453 L HA -0.240 4.101 4.340 0.003 0.000 0.206 453 L C 2.179 178.888 176.870 -0.268 0.000 1.074 453 L CA 1.549 55.874 54.840 -0.859 0.000 0.745 453 L CB -0.131 41.225 42.059 -1.171 0.000 0.898 453 L HN 0.196 nan 8.230 nan 0.000 0.433 454 Q N -0.101 119.543 119.800 -0.259 0.000 2.062 454 Q HA -0.285 4.057 4.340 0.003 0.000 0.209 454 Q C 2.103 178.096 176.000 -0.012 0.000 0.996 454 Q CA 2.413 58.170 55.803 -0.077 0.000 0.859 454 Q CB -0.361 28.300 28.738 -0.130 0.000 0.920 454 Q HN 0.556 nan 8.270 nan 0.000 0.415 455 I N 0.523 121.060 120.570 -0.055 0.000 2.163 455 I HA -0.304 3.867 4.170 0.003 0.000 0.243 455 I C 2.553 178.681 176.117 0.019 0.000 1.085 455 I CA 1.434 62.708 61.300 -0.045 0.000 1.347 455 I CB -0.396 37.586 38.000 -0.030 0.000 1.044 455 I HN 0.299 nan 8.210 nan 0.000 0.408 456 E N 0.812 121.076 120.200 0.107 0.000 2.077 456 E HA -0.275 4.076 4.350 0.003 0.000 0.193 456 E C 2.198 178.955 176.600 0.261 0.000 0.989 456 E CA 1.490 58.014 56.400 0.208 0.000 0.800 456 E CB -0.114 29.789 29.700 0.338 0.000 0.746 456 E HN 0.435 nan 8.360 nan 0.000 0.452 457 F N 1.085 121.125 119.950 0.150 0.000 2.206 457 F HA -0.055 4.474 4.527 0.002 0.000 0.298 457 F C 2.359 178.220 175.800 0.102 0.000 1.090 457 F CA 1.326 59.456 58.000 0.216 0.000 1.323 457 F CB -0.560 38.609 39.000 0.283 0.000 1.028 457 F HN -0.078 nan 8.300 nan 0.000 0.492 458 S N 0.183 115.793 115.700 -0.150 0.000 2.380 458 S HA -0.328 4.144 4.470 0.003 0.000 0.229 458 S C 1.912 176.379 174.600 -0.222 0.000 1.043 458 S CA 1.772 59.806 58.200 -0.275 0.000 1.038 458 S CB -0.466 62.616 63.200 -0.197 0.000 0.872 458 S HN 0.469 nan 8.310 nan 0.000 0.456 459 Q N 0.690 120.422 119.800 -0.112 0.000 2.119 459 Q HA -0.012 4.330 4.340 0.003 0.000 0.201 459 Q C 2.020 177.994 176.000 -0.044 0.000 0.972 459 Q CA 1.115 56.885 55.803 -0.055 0.000 0.847 459 Q CB -0.450 28.294 28.738 0.010 0.000 0.903 459 Q HN 0.383 nan 8.270 nan 0.000 0.433 460 V N 0.294 120.183 119.914 -0.042 0.000 2.255 460 V HA -0.301 3.821 4.120 0.003 0.000 0.247 460 V C 2.128 178.158 176.094 -0.106 0.000 1.051 460 V CA 2.026 64.305 62.300 -0.035 0.000 1.018 460 V CB -0.592 31.274 31.823 0.072 0.000 0.641 460 V HN 0.385 nan 8.190 nan 0.000 0.445 461 I N -0.219 120.199 120.570 -0.253 0.000 2.151 461 I HA -0.305 3.866 4.170 0.003 0.000 0.243 461 I C 2.709 178.751 176.117 -0.125 0.000 1.080 461 I CA 1.855 63.020 61.300 -0.224 0.000 1.339 461 I CB -0.588 37.207 38.000 -0.341 0.000 1.039 461 I HN 0.373 nan 8.210 nan 0.000 0.409 462 Q N 1.789 121.520 119.800 -0.115 0.000 2.050 462 Q HA -0.130 4.211 4.340 0.003 0.000 0.202 462 Q C 1.316 177.301 176.000 -0.025 0.000 0.980 462 Q CA 1.410 57.177 55.803 -0.059 0.000 0.840 462 Q CB 0.036 28.747 28.738 -0.044 0.000 0.898 462 Q HN 0.292 nan 8.270 nan 0.000 0.424 476 S N 5.027 120.766 115.700 0.064 0.000 2.632 476 S HA 0.578 5.050 4.470 0.003 0.000 0.271 476 S C -1.790 172.878 174.600 0.114 0.000 1.260 476 S CA -1.254 56.993 58.200 0.078 0.000 1.010 476 S CB 1.572 64.817 63.200 0.075 0.000 0.965 476 S HN 0.507 nan 8.310 nan 0.000 0.534 477 P HA -0.182 nan 4.420 nan 0.000 0.218 477 P C 1.782 179.230 177.300 0.247 0.000 1.154 477 P CA 2.686 65.889 63.100 0.171 0.000 0.872 477 P CB -0.294 31.479 31.700 0.122 0.000 0.790 478 K N 0.139 120.662 120.400 0.204 0.000 2.062 478 K HA -0.161 4.161 4.320 0.003 0.000 0.205 478 K C 2.029 178.767 176.600 0.230 0.000 1.051 478 K CA 1.833 58.265 56.287 0.242 0.000 0.941 478 K CB -1.529 31.073 32.500 0.170 0.000 0.719 478 K HN 0.278 nan 8.250 nan 0.000 0.440 479 E N -0.324 119.976 120.200 0.166 0.000 2.077 479 E HA -0.118 4.234 4.350 0.003 0.000 0.193 479 E C 2.207 178.910 176.600 0.173 0.000 0.989 479 E CA 1.414 57.895 56.400 0.134 0.000 0.800 479 E CB -0.127 29.627 29.700 0.090 0.000 0.746 479 E HN 0.563 nan 8.360 nan 0.000 0.452 480 M N 0.387 120.115 119.600 0.214 0.000 2.059 480 M HA -0.198 4.284 4.480 0.003 0.000 0.259 480 M C 2.197 178.751 176.300 0.424 0.000 1.072 480 M CA 1.699 57.189 55.300 0.317 0.000 1.117 480 M CB -0.403 32.365 32.600 0.280 0.000 1.320 480 M HN 0.364 nan 8.290 nan 0.000 0.408 481 W N 1.820 123.208 121.300 0.147 0.000 2.318 481 W HA -0.275 4.386 4.660 0.003 0.000 0.313 481 W C 1.364 177.950 176.519 0.111 0.000 1.221 481 W CA 2.048 59.396 57.345 0.004 0.000 1.266 481 W CB -0.533 28.867 29.460 -0.099 0.000 1.150 481 W HN 0.368 nan 8.180 nan 0.000 0.496 482 D N 0.454 120.836 120.400 -0.029 0.000 2.144 482 D HA -0.130 4.512 4.640 0.003 0.000 0.199 482 D C 2.356 178.602 176.300 -0.089 0.000 0.984 482 D CA 1.858 55.785 54.000 -0.122 0.000 0.834 482 D CB -0.890 39.936 40.800 0.044 0.000 0.955 482 D HN 0.185 nan 8.370 nan 0.000 0.465 483 A N 0.488 123.352 122.820 0.073 0.000 1.902 483 A HA -0.182 4.139 4.320 0.003 0.000 0.217 483 A C 2.116 179.825 177.584 0.208 0.000 1.181 483 A CA 1.025 53.162 52.037 0.166 0.000 0.623 483 A CB -1.043 18.118 19.000 0.267 0.000 0.818 483 A HN 0.216 nan 8.150 nan 0.000 0.443 484 F N 0.911 120.872 119.950 0.019 0.000 2.069 484 F HA -0.150 4.379 4.527 0.002 0.000 0.298 484 F C 2.626 178.191 175.800 -0.393 0.000 1.113 484 F CA 1.507 59.292 58.000 -0.358 0.000 1.214 484 F CB -0.552 37.990 39.000 -0.764 0.000 0.978 484 F HN 0.254 nan 8.300 nan 0.000 0.474 485 A N -0.419 122.040 122.820 -0.601 0.000 1.940 485 A HA -0.227 4.095 4.320 0.003 0.000 0.219 485 A C 2.053 179.449 177.584 -0.313 0.000 1.176 485 A CA 2.040 53.755 52.037 -0.537 0.000 0.631 485 A CB -1.276 17.378 19.000 -0.576 0.000 0.814 485 A HN 0.413 nan 8.150 nan 0.000 0.446 486 E N -0.702 119.360 120.200 -0.230 0.000 2.106 486 E HA -0.123 4.229 4.350 0.003 0.000 0.192 486 E C 2.151 178.635 176.600 -0.193 0.000 0.984 486 E CA 1.253 57.559 56.400 -0.155 0.000 0.806 486 E CB -0.258 29.388 29.700 -0.089 0.000 0.750 486 E HN 0.673 nan 8.360 nan 0.000 0.458 487 E N -0.880 119.168 120.200 -0.254 0.000 2.028 487 E HA -0.047 4.305 4.350 0.003 0.000 0.190 487 E C 1.821 178.087 176.600 -0.556 0.000 0.984 487 E CA 1.333 57.468 56.400 -0.440 0.000 0.800 487 E CB -0.191 29.130 29.700 -0.632 0.000 0.758 487 E HN 0.619 nan 8.360 nan 0.000 0.448 488 Y N -0.900 119.138 120.300 -0.437 0.000 2.483 488 Y HA 0.223 4.774 4.550 0.002 0.000 0.258 488 Y C 2.095 177.801 175.900 -0.323 0.000 1.083 488 Y CA 0.052 57.897 58.100 -0.424 0.000 1.283 488 Y CB 0.492 38.516 38.460 -0.727 0.000 1.178 488 Y HN -0.106 nan 8.280 nan 0.000 0.515 489 L N -1.589 119.520 121.223 -0.190 0.000 2.362 489 L HA 0.230 4.572 4.340 0.003 0.000 0.204 489 L C 2.372 179.187 176.870 -0.091 0.000 1.060 489 L CA 0.824 55.588 54.840 -0.128 0.000 0.827 489 L CB -0.373 41.603 42.059 -0.138 0.000 1.027 489 L HN 0.104 nan 8.230 nan 0.000 0.474 490 A N 0.025 122.779 122.820 -0.111 0.000 1.903 490 A HA 0.114 4.436 4.320 0.003 0.000 0.213 490 A C -1.223 176.323 177.584 -0.064 0.000 1.185 490 A CA 0.342 52.332 52.037 -0.078 0.000 0.628 490 A CB -1.694 17.255 19.000 -0.085 0.000 0.830 490 A HN 0.200 nan 8.150 nan 0.000 0.446 491 P HA 0.160 nan 4.420 nan 0.000 0.262 491 P C 0.317 177.589 177.300 -0.047 0.000 1.182 491 P CA 0.541 63.602 63.100 -0.065 0.000 0.761 491 P CB 0.905 32.553 31.700 -0.086 0.000 0.795 492 V N 0.547 120.442 119.914 -0.032 0.000 3.432 492 V HA 0.290 4.411 4.120 0.003 0.000 0.298 492 V C 0.497 176.585 176.094 -0.010 0.000 1.464 492 V CA -0.028 62.262 62.300 -0.017 0.000 1.046 492 V CB 0.171 31.989 31.823 -0.008 0.000 0.887 492 V HN 0.187 nan 8.190 nan 0.000 0.441 493 R N 0.809 121.299 120.500 -0.017 0.000 2.750 493 R HA 0.613 4.954 4.340 0.003 0.000 0.281 493 R C -2.018 174.270 176.300 -0.020 0.000 0.972 493 R CA -0.773 55.324 56.100 -0.005 0.000 0.912 493 R CB 1.209 31.512 30.300 0.003 0.000 1.187 493 R HN 0.286 nan 8.270 nan 0.000 0.464 494 P HA -0.080 nan 4.420 nan 0.000 0.216 494 P C 0.402 177.741 177.300 0.064 0.000 1.153 494 P CA 0.767 63.902 63.100 0.057 0.000 0.848 494 P CB 0.119 31.898 31.700 0.133 0.000 0.787 495 L N -0.276 120.932 121.223 -0.024 0.000 2.307 495 L HA 0.467 4.808 4.340 0.003 0.000 0.282 495 L C -0.168 176.703 176.870 0.002 0.000 1.051 495 L CA -0.715 54.120 54.840 -0.008 0.000 0.804 495 L CB 1.031 42.974 42.059 -0.192 0.000 1.197 495 L HN -0.134 nan 8.230 nan 0.000 0.431 496 E N 4.333 124.559 120.200 0.043 0.000 2.343 496 E HA 0.441 4.792 4.350 0.003 0.000 0.270 496 E C -1.386 175.253 176.600 0.065 0.000 0.895 496 E CA -0.989 55.433 56.400 0.037 0.000 0.767 496 E CB 1.554 31.270 29.700 0.027 0.000 1.248 496 E HN 0.653 nan 8.360 nan 0.000 0.440 497 R N 3.956 124.487 120.500 0.052 0.000 2.337 497 R HA 0.448 4.790 4.340 0.003 0.000 0.319 497 R C 0.560 176.868 176.300 0.014 0.000 0.954 497 R CA 0.192 56.325 56.100 0.055 0.000 0.840 497 R CB 0.688 31.013 30.300 0.042 0.000 1.164 497 R HN 0.610 nan 8.270 nan 0.000 0.472 498 I N 4.170 124.752 120.570 0.021 0.000 2.130 498 I HA 0.052 4.223 4.170 0.003 0.000 0.232 498 I C 1.110 177.220 176.117 -0.012 0.000 1.064 498 I CA 1.328 62.632 61.300 0.006 0.000 1.338 498 I CB -0.734 37.275 38.000 0.015 0.000 1.084 498 I HN 0.801 nan 8.210 nan 0.000 0.404 499 R N 0.397 120.892 120.500 -0.009 0.000 2.795 499 R HA 0.689 5.031 4.340 0.003 0.000 0.268 499 R C -1.870 174.417 176.300 -0.022 0.000 1.041 499 R CA -0.533 55.552 56.100 -0.025 0.000 0.927 499 R CB 1.315 31.605 30.300 -0.016 0.000 1.235 499 R HN 0.725 nan 8.270 nan 0.000 0.463 500 Q N -0.216 119.562 119.800 -0.037 0.000 2.426 500 Q HA 0.273 4.614 4.340 0.003 0.000 0.278 500 Q C -1.741 174.244 176.000 -0.025 0.000 1.007 500 Q CA -0.462 55.325 55.803 -0.026 0.000 0.850 500 Q CB 1.181 29.882 28.738 -0.063 0.000 1.427 500 Q HN 0.892 nan 8.270 nan 0.000 0.391 501 H N -0.198 118.868 119.070 -0.006 0.000 2.504 501 H HA 0.804 5.361 4.556 0.003 0.000 0.322 501 H C -0.437 174.889 175.328 -0.003 0.000 1.055 501 H CA -0.085 55.959 56.048 -0.007 0.000 1.231 501 H CB 1.308 31.070 29.762 0.000 0.000 1.417 501 H HN 0.885 nan 8.280 nan 0.000 0.472 502 V N 1.815 121.720 119.914 -0.014 0.000 2.364 502 V HA 0.592 4.713 4.120 0.003 0.000 0.272 502 V C 0.326 176.416 176.094 -0.007 0.000 1.036 502 V CA -0.126 62.167 62.300 -0.012 0.000 0.880 502 V CB 0.333 32.139 31.823 -0.029 0.000 0.991 502 V HN 1.161 nan 8.190 nan 0.000 0.460 503 D N 4.780 125.180 120.400 0.001 0.000 2.505 503 D HA 0.707 5.348 4.640 0.003 0.000 0.242 503 D C 0.284 176.584 176.300 0.001 0.000 1.136 503 D CA 0.238 54.238 54.000 0.001 0.000 0.954 503 D CB 1.220 42.023 40.800 0.005 0.000 1.002 503 D HN 1.594 nan 8.370 nan 0.000 0.512 504 A N 0.868 123.685 122.820 -0.004 0.000 2.440 504 A HA 0.686 5.007 4.320 0.003 0.000 0.251 504 A C 1.134 178.717 177.584 -0.002 0.000 1.089 504 A CA 0.245 52.279 52.037 -0.005 0.000 0.779 504 A CB 0.244 19.238 19.000 -0.009 0.000 1.022 504 A HN 1.526 nan 8.150 nan 0.000 0.492 505 A N 2.086 124.906 122.820 -0.001 0.000 2.445 505 A HA 0.354 4.676 4.320 0.003 0.000 0.242 505 A C 0.616 178.199 177.584 -0.001 0.000 1.075 505 A CA 0.036 52.073 52.037 0.000 0.000 0.777 505 A CB 0.017 19.017 19.000 0.001 0.000 1.013 505 A HN 0.821 nan 8.150 nan 0.000 0.493 506 D N 0.324 120.724 120.400 -0.000 0.000 2.149 506 D HA -0.027 4.614 4.640 0.003 0.000 0.201 506 D C 0.003 176.303 176.300 -0.000 0.000 0.972 506 D CA 1.223 55.222 54.000 -0.001 0.000 0.835 506 D CB 0.024 40.824 40.800 -0.000 0.000 0.966 506 D HN 0.589 nan 8.370 nan 0.000 0.476 507 D N 1.588 121.988 120.400 0.001 0.000 2.255 507 D HA 0.058 4.700 4.640 0.003 0.000 0.249 507 D C -0.267 176.034 176.300 0.001 0.000 1.078 507 D CA -0.266 53.734 54.000 0.001 0.000 0.896 507 D CB 1.017 41.818 40.800 0.001 0.000 1.194 507 D HN -0.031 nan 8.370 nan 0.000 0.429 508 D N 0.195 120.596 120.400 0.001 0.000 2.488 508 D HA 0.210 4.852 4.640 0.003 0.000 0.238 508 D C 1.469 177.770 176.300 0.002 0.000 1.138 508 D CA 0.555 54.556 54.000 0.002 0.000 0.873 508 D CB 0.646 41.447 40.800 0.003 0.000 1.183 508 D HN 0.670 nan 8.370 nan 0.000 0.458 509 G N 1.552 110.353 108.800 0.001 0.000 2.153 509 G HA2 -0.173 3.788 3.960 0.003 0.000 0.252 509 G HA3 -0.173 3.788 3.960 0.003 0.000 0.252 509 G C 0.732 175.634 174.900 0.003 0.000 0.994 509 G CA 0.159 45.260 45.100 0.002 0.000 0.698 509 G HN 0.810 nan 8.290 nan 0.000 0.521 510 G N -1.021 107.781 108.800 0.002 0.000 2.562 510 G HA2 0.574 4.535 3.960 0.003 0.000 0.275 510 G HA3 0.574 4.535 3.960 0.003 0.000 0.275 510 G C 0.278 175.181 174.900 0.005 0.000 1.196 510 G CA 0.450 45.552 45.100 0.003 0.000 0.908 510 G HN 0.519 nan 8.290 nan 0.000 0.524 511 T N 0.696 115.255 114.554 0.008 0.000 2.907 511 T HA 0.427 4.779 4.350 0.003 0.000 0.298 511 T C 0.476 175.182 174.700 0.010 0.000 1.017 511 T CA 0.244 62.352 62.100 0.014 0.000 1.118 511 T CB 1.045 69.924 68.868 0.018 0.000 0.948 511 T HN 0.399 nan 8.240 nan 0.000 0.531 512 T N 2.570 117.130 114.554 0.010 0.000 2.929 512 T HA 0.586 4.937 4.350 0.003 0.000 0.284 512 T C 0.011 174.723 174.700 0.019 0.000 1.014 512 T CA -0.546 61.558 62.100 0.006 0.000 1.051 512 T CB 1.341 70.206 68.868 -0.005 0.000 1.028 512 T HN 0.498 nan 8.240 nan 0.000 0.485 513 S N 1.061 116.773 115.700 0.020 0.000 2.634 513 S HA 0.783 5.255 4.470 0.003 0.000 0.296 513 S C -1.225 173.395 174.600 0.034 0.000 1.104 513 S CA -0.681 57.538 58.200 0.032 0.000 0.920 513 S CB 1.361 64.578 63.200 0.028 0.000 1.111 513 S HN 0.642 nan 8.310 nan 0.000 0.493 514 I N 1.568 122.168 120.570 0.050 0.000 2.607 514 I HA 0.399 4.571 4.170 0.003 0.000 0.290 514 I C -1.240 174.918 176.117 0.068 0.000 1.129 514 I CA -0.111 61.226 61.300 0.061 0.000 1.042 514 I CB 2.096 40.155 38.000 0.098 0.000 1.242 514 I HN 0.553 nan 8.210 nan 0.000 0.421 515 T N 6.108 120.695 114.554 0.054 0.000 2.823 515 T HA 0.810 5.161 4.350 0.003 0.000 0.279 515 T C -0.525 174.216 174.700 0.068 0.000 0.998 515 T CA -0.567 61.568 62.100 0.059 0.000 0.994 515 T CB 1.629 70.519 68.868 0.038 0.000 0.960 515 T HN 0.635 nan 8.240 nan 0.000 0.448 516 A N 1.741 124.619 122.820 0.095 0.000 2.414 516 A HA 0.867 5.189 4.320 0.003 0.000 0.306 516 A C 0.094 177.732 177.584 0.091 0.000 1.054 516 A CA -0.868 51.231 52.037 0.105 0.000 0.724 516 A CB 1.067 20.195 19.000 0.213 0.000 1.267 516 A HN 1.039 nan 8.150 nan 0.000 0.418 517 T N 0.799 115.393 114.554 0.066 0.000 2.744 517 T HA 0.642 4.994 4.350 0.003 0.000 0.291 517 T C -0.020 174.724 174.700 0.074 0.000 0.957 517 T CA 0.010 62.145 62.100 0.058 0.000 1.002 517 T CB -0.110 68.779 68.868 0.034 0.000 0.919 517 T HN 2.051 nan 8.240 nan 0.000 0.468 518 V N -0.094 119.871 119.914 0.084 0.000 2.841 518 V HA 0.842 4.963 4.120 0.003 0.000 0.310 518 V C -0.563 175.579 176.094 0.080 0.000 1.090 518 V CA -1.286 61.074 62.300 0.100 0.000 0.930 518 V CB 1.801 33.715 31.823 0.151 0.000 1.014 518 V HN 0.506 nan 8.190 nan 0.000 0.425 519 K N 4.529 124.973 120.400 0.074 0.000 2.292 519 K HA 0.645 4.967 4.320 0.003 0.000 0.270 519 K C -0.508 176.140 176.600 0.081 0.000 1.062 519 K CA -0.181 56.143 56.287 0.061 0.000 0.916 519 K CB 1.016 33.542 32.500 0.044 0.000 1.166 519 K HN 0.733 nan 8.250 nan 0.000 0.458 520 I N 3.186 123.807 120.570 0.085 0.000 2.291 520 I HA 0.196 4.368 4.170 0.003 0.000 0.290 520 I C 0.135 176.299 176.117 0.078 0.000 1.050 520 I CA -0.291 61.077 61.300 0.114 0.000 1.245 520 I CB 0.294 38.362 38.000 0.114 0.000 1.405 520 I HN 0.790 nan 8.210 nan 0.000 0.478 521 N N 5.265 124.014 118.700 0.081 0.000 2.705 521 N HA -0.226 4.516 4.740 0.003 0.000 0.255 521 N C 1.012 176.543 175.510 0.036 0.000 1.008 521 N CA 0.682 53.763 53.050 0.052 0.000 0.742 521 N CB -0.787 37.727 38.487 0.046 0.000 0.906 521 N HN 1.109 nan 8.380 nan 0.000 0.541 522 G N -2.412 106.410 108.800 0.035 0.000 2.304 522 G HA2 -0.274 3.687 3.960 0.003 0.000 0.252 522 G HA3 -0.274 3.687 3.960 0.003 0.000 0.252 522 G C 0.474 175.389 174.900 0.026 0.000 1.014 522 G CA 0.502 45.618 45.100 0.027 0.000 0.619 522 G HN 1.178 nan 8.290 nan 0.000 0.525 523 V N 0.794 120.725 119.914 0.028 0.000 2.427 523 V HA 0.742 4.864 4.120 0.003 0.000 0.268 523 V C 0.667 176.778 176.094 0.029 0.000 1.046 523 V CA 0.992 63.306 62.300 0.023 0.000 0.970 523 V CB -0.139 31.694 31.823 0.016 0.000 1.001 523 V HN 1.466 nan 8.190 nan 0.000 0.476 524 E N 4.095 124.310 120.200 0.025 0.000 2.351 524 E HA 0.568 4.919 4.350 0.003 0.000 0.266 524 E C 0.321 176.937 176.600 0.027 0.000 1.031 524 E CA 0.348 56.766 56.400 0.029 0.000 0.911 524 E CB -0.093 29.621 29.700 0.024 0.000 0.986 524 E HN 1.827 nan 8.360 nan 0.000 0.446 525 T N -0.013 114.562 114.554 0.035 0.000 2.927 525 T HA 0.831 5.182 4.350 0.003 0.000 0.286 525 T C 0.244 174.966 174.700 0.038 0.000 1.040 525 T CA 0.059 62.177 62.100 0.030 0.000 1.010 525 T CB 1.034 69.918 68.868 0.025 0.000 1.177 525 T HN 0.968 nan 8.240 nan 0.000 0.546 526 E N 0.718 120.937 120.200 0.031 0.000 2.222 526 E HA 0.726 5.078 4.350 0.003 0.000 0.267 526 E C -0.530 176.093 176.600 0.038 0.000 0.884 526 E CA -0.831 55.591 56.400 0.038 0.000 0.764 526 E CB 0.913 30.630 29.700 0.029 0.000 1.169 526 E HN 1.204 nan 8.360 nan 0.000 0.413 527 I N -2.266 118.337 120.570 0.055 0.000 2.892 527 I HA 0.915 5.086 4.170 0.003 0.000 0.306 527 I C -0.390 175.762 176.117 0.058 0.000 1.078 527 I CA -0.919 60.411 61.300 0.051 0.000 1.032 527 I CB 2.650 40.682 38.000 0.054 0.000 1.229 527 I HN 0.317 nan 8.210 nan 0.000 0.435 528 S N 1.678 117.404 115.700 0.043 0.000 2.572 528 S HA 0.897 5.368 4.470 0.003 0.000 0.274 528 S C -0.427 174.202 174.600 0.049 0.000 1.150 528 S CA -0.453 57.775 58.200 0.046 0.000 0.944 528 S CB 1.871 65.090 63.200 0.032 0.000 1.071 528 S HN 1.238 nan 8.310 nan 0.000 0.479 529 G N 1.244 110.084 108.800 0.067 0.000 2.559 529 G HA2 0.677 4.639 3.960 0.003 0.000 0.291 529 G HA3 0.677 4.639 3.960 0.003 0.000 0.291 529 G C -1.612 173.344 174.900 0.095 0.000 1.424 529 G CA -0.541 44.614 45.100 0.091 0.000 0.786 529 G HN 0.661 nan 8.290 nan 0.000 0.485 530 S N -1.769 114.012 115.700 0.136 0.000 2.595 530 S HA 0.980 5.452 4.470 0.003 0.000 0.281 530 S C 0.091 174.816 174.600 0.208 0.000 1.117 530 S CA -0.053 58.216 58.200 0.116 0.000 0.873 530 S CB 1.987 65.233 63.200 0.076 0.000 1.108 530 S HN 1.871 nan 8.310 nan 0.000 0.477 531 G N 0.668 109.536 108.800 0.112 0.000 2.490 531 G HA2 0.329 4.291 3.960 0.003 0.000 0.308 531 G HA3 0.329 4.291 3.960 0.003 0.000 0.308 531 G C -0.829 174.091 174.900 0.033 0.000 1.286 531 G CA -0.585 44.576 45.100 0.101 0.000 0.825 531 G HN 0.466 nan 8.290 nan 0.000 0.479 532 N N -0.158 118.547 118.700 0.009 0.000 2.353 532 N HA 0.294 5.036 4.740 0.003 0.000 0.185 532 N C 0.658 176.151 175.510 -0.027 0.000 1.098 532 N CA 1.027 54.075 53.050 -0.004 0.000 0.872 532 N CB 1.046 39.532 38.487 -0.002 0.000 0.970 532 N HN 0.924 nan 8.380 nan 0.000 0.467 533 G N -0.389 108.383 108.800 -0.047 0.000 2.608 533 G HA2 0.291 4.252 3.960 0.003 0.000 0.291 533 G HA3 0.291 4.252 3.960 0.003 0.000 0.291 533 G C -2.416 172.446 174.900 -0.062 0.000 1.425 533 G CA -0.636 44.428 45.100 -0.059 0.000 0.787 533 G HN -0.239 nan 8.290 nan 0.000 0.484 534 P HA 0.021 nan 4.420 nan 0.000 0.225 534 P C 2.013 179.296 177.300 -0.027 0.000 1.156 534 P CA 0.161 63.238 63.100 -0.038 0.000 0.787 534 P CB 0.374 32.044 31.700 -0.049 0.000 0.802 535 L N 1.077 122.254 121.223 -0.077 0.000 1.970 535 L HA -0.134 4.208 4.340 0.003 0.000 0.212 535 L C 2.484 179.295 176.870 -0.098 0.000 1.071 535 L CA 2.448 57.244 54.840 -0.073 0.000 0.751 535 L CB -1.693 40.250 42.059 -0.193 0.000 0.889 535 L HN -0.048 nan 8.230 nan 0.000 0.432 536 A N -0.763 121.941 122.820 -0.194 0.000 1.933 536 A HA -0.062 4.259 4.320 0.003 0.000 0.218 536 A C 2.413 179.606 177.584 -0.651 0.000 1.175 536 A CA 1.926 53.724 52.037 -0.399 0.000 0.628 536 A CB -1.134 17.705 19.000 -0.269 0.000 0.814 536 A HN 0.636 nan 8.150 nan 0.000 0.444 537 A N -1.028 121.635 122.820 -0.261 0.000 1.855 537 A HA 0.009 4.330 4.320 0.003 0.000 0.215 537 A C 2.030 179.597 177.584 -0.028 0.000 1.191 537 A CA 1.561 53.537 52.037 -0.101 0.000 0.613 537 A CB -0.785 18.219 19.000 0.007 0.000 0.829 537 A HN 0.640 nan 8.150 nan 0.000 0.442 538 F N 0.947 120.820 119.950 -0.129 0.000 2.095 538 F HA -0.176 4.353 4.527 0.003 0.000 0.298 538 F C 2.278 178.036 175.800 -0.071 0.000 1.104 538 F CA 1.842 59.795 58.000 -0.078 0.000 1.232 538 F CB -0.546 38.410 39.000 -0.073 0.000 0.987 538 F HN 0.022 nan 8.300 nan 0.000 0.475 539 V N 0.148 119.909 119.914 -0.255 0.000 2.392 539 V HA -0.365 3.757 4.120 0.003 0.000 0.249 539 V C 2.276 178.290 176.094 -0.133 0.000 1.059 539 V CA 2.589 64.725 62.300 -0.274 0.000 1.051 539 V CB -0.962 30.738 31.823 -0.204 0.000 0.658 539 V HN 0.495 nan 8.190 nan 0.000 0.455 540 H N -0.566 118.453 119.070 -0.086 0.000 2.436 540 H HA 0.064 4.622 4.556 0.002 0.000 0.294 540 H C 2.310 177.596 175.328 -0.069 0.000 1.048 540 H CA 0.730 56.741 56.048 -0.062 0.000 1.353 540 H CB -0.074 29.668 29.762 -0.033 0.000 1.414 540 H HN 0.467 nan 8.280 nan 0.000 0.536 541 A N 1.325 124.161 122.820 0.026 0.000 1.917 541 A HA -0.174 4.147 4.320 0.003 0.000 0.219 541 A C 2.218 179.766 177.584 -0.061 0.000 1.182 541 A CA 1.338 53.365 52.037 -0.016 0.000 0.633 541 A CB -0.757 18.242 19.000 -0.001 0.000 0.819 541 A HN 0.332 nan 8.150 nan 0.000 0.448 542 L N -1.064 120.073 121.223 -0.143 0.000 2.291 542 L HA -0.087 4.254 4.340 0.003 0.000 0.214 542 L C 2.877 179.749 176.870 0.002 0.000 1.120 542 L CA 0.600 55.400 54.840 -0.066 0.000 0.799 542 L CB -0.352 41.622 42.059 -0.141 0.000 0.925 542 L HN 0.442 nan 8.230 nan 0.000 0.446 543 A N -0.419 122.394 122.820 -0.013 0.000 2.067 543 A HA -0.172 4.149 4.320 0.003 0.000 0.219 543 A C 1.663 179.212 177.584 -0.058 0.000 1.158 543 A CA 1.408 53.431 52.037 -0.022 0.000 0.661 543 A CB -0.276 18.721 19.000 -0.005 0.000 0.801 543 A HN 0.310 nan 8.150 nan 0.000 0.452 544 D N -0.572 119.796 120.400 -0.052 0.000 2.363 544 D HA -0.007 4.634 4.640 0.003 0.000 0.220 544 D C 1.420 177.662 176.300 -0.097 0.000 0.994 544 D CA 1.344 55.307 54.000 -0.061 0.000 0.890 544 D CB 0.254 41.033 40.800 -0.036 0.000 0.906 544 D HN 0.488 nan 8.370 nan 0.000 0.530 545 V N -4.173 115.653 119.914 -0.146 0.000 3.176 545 V HA 0.581 4.702 4.120 0.003 0.000 0.332 545 V C 1.140 176.920 176.094 -0.524 0.000 1.414 545 V CA 0.111 62.261 62.300 -0.250 0.000 1.133 545 V CB 0.191 31.919 31.823 -0.159 0.000 1.088 545 V HN 0.091 nan 8.190 nan 0.000 0.473 546 G N 0.714 109.270 108.800 -0.406 0.000 2.149 546 G HA2 -0.247 3.715 3.960 0.003 0.000 0.235 546 G HA3 -0.247 3.715 3.960 0.003 0.000 0.235 546 G C -0.401 174.197 174.900 -0.504 0.000 1.018 546 G CA 0.269 45.119 45.100 -0.417 0.000 0.728 546 G HN 0.625 nan 8.290 nan 0.000 0.508 547 F N 0.629 120.550 119.950 -0.048 0.000 2.427 547 F HA 0.485 5.013 4.527 0.002 0.000 0.348 547 F C 0.068 175.835 175.800 -0.055 0.000 1.125 547 F CA -1.171 56.797 58.000 -0.054 0.000 0.989 547 F CB 1.843 40.799 39.000 -0.074 0.000 1.165 547 F HN 0.020 nan 8.300 nan 0.000 0.442 548 D N 3.878 124.352 120.400 0.124 0.000 2.396 548 D HA 0.348 4.990 4.640 0.003 0.000 0.225 548 D C -1.089 175.242 176.300 0.052 0.000 1.121 548 D CA -0.119 53.917 54.000 0.060 0.000 0.853 548 D CB 1.287 42.104 40.800 0.029 0.000 1.043 548 D HN 0.187 nan 8.370 nan 0.000 0.500 549 V N 3.436 123.370 119.914 0.034 0.000 2.313 549 V HA 0.631 4.752 4.120 0.003 0.000 0.278 549 V C 0.191 176.286 176.094 0.001 0.000 1.017 549 V CA -0.924 61.378 62.300 0.002 0.000 0.823 549 V CB 1.090 32.893 31.823 -0.034 0.000 1.010 549 V HN 0.720 nan 8.190 nan 0.000 0.443 550 A N 4.948 127.764 122.820 -0.007 0.000 2.412 550 A HA 0.790 5.112 4.320 0.003 0.000 0.334 550 A C 0.138 177.703 177.584 -0.031 0.000 1.419 550 A CA -0.419 51.613 52.037 -0.007 0.000 0.930 550 A CB 0.528 19.525 19.000 -0.005 0.000 1.149 550 A HN 1.284 nan 8.150 nan 0.000 0.515 551 V N 3.288 123.183 119.914 -0.032 0.000 2.540 551 V HA 0.281 4.402 4.120 0.003 0.000 0.297 551 V C 0.913 176.976 176.094 -0.052 0.000 1.024 551 V CA 0.707 62.977 62.300 -0.049 0.000 1.105 551 V CB -0.164 31.634 31.823 -0.042 0.000 0.938 551 V HN 0.884 nan 8.190 nan 0.000 0.482 552 L N 2.809 123.979 121.223 -0.089 0.000 2.388 552 L HA 0.413 4.754 4.340 0.003 0.000 0.209 552 L C 0.454 177.283 176.870 -0.069 0.000 1.061 552 L CA 0.437 55.228 54.840 -0.082 0.000 0.834 552 L CB 0.572 42.558 42.059 -0.121 0.000 1.029 552 L HN 0.840 nan 8.230 nan 0.000 0.473 553 D N -1.949 118.391 120.400 -0.099 0.000 2.622 553 D HA 0.353 4.994 4.640 0.003 0.000 0.255 553 D C -1.942 174.375 176.300 0.028 0.000 1.246 553 D CA -0.330 53.639 54.000 -0.051 0.000 0.795 553 D CB 2.461 43.269 40.800 0.013 0.000 1.369 553 D HN -0.132 nan 8.370 nan 0.000 0.425 554 Y N 1.163 121.347 120.300 -0.193 0.000 2.474 554 Y HA 0.579 5.130 4.550 0.002 0.000 0.326 554 Y C -2.312 173.395 175.900 -0.322 0.000 1.160 554 Y CA -0.546 57.509 58.100 -0.075 0.000 1.056 554 Y CB 0.832 39.260 38.460 -0.053 0.000 1.330 554 Y HN 0.374 nan 8.280 nan 0.000 0.447 555 Y N 3.176 123.149 120.300 -0.546 0.000 2.534 555 Y HA 0.609 5.160 4.550 0.002 0.000 0.345 555 Y C -0.707 174.941 175.900 -0.420 0.000 1.031 555 Y CA -0.991 56.848 58.100 -0.435 0.000 1.022 555 Y CB 2.661 41.159 38.460 0.064 0.000 1.292 555 Y HN 0.703 nan 8.280 nan 0.000 0.459 556 E N 0.975 121.102 120.200 -0.121 0.000 2.356 556 E HA 0.524 4.875 4.350 0.003 0.000 0.275 556 E C -1.885 174.803 176.600 0.147 0.000 0.904 556 E CA -0.835 55.562 56.400 -0.006 0.000 0.757 556 E CB 1.999 31.691 29.700 -0.014 0.000 1.232 556 E HN 0.778 nan 8.360 nan 0.000 0.442 557 H N 0.288 119.401 119.070 0.073 0.000 2.961 557 H HA 0.731 5.289 4.556 0.002 0.000 0.371 557 H C -1.050 174.299 175.328 0.035 0.000 1.190 557 H CA -0.884 55.202 56.048 0.063 0.000 1.138 557 H CB 1.209 31.020 29.762 0.082 0.000 1.816 557 H HN 0.506 nan 8.280 nan 0.000 0.551 558 A N 2.913 125.789 122.820 0.093 0.000 2.531 558 A HA 0.369 4.691 4.320 0.003 0.000 0.236 558 A C -0.208 177.433 177.584 0.094 0.000 1.062 558 A CA 0.014 52.080 52.037 0.049 0.000 0.760 558 A CB -0.387 18.648 19.000 0.060 0.000 0.995 558 A HN 0.688 nan 8.150 nan 0.000 0.501 559 M N 2.341 121.950 119.600 0.015 0.000 2.321 559 M HA 0.591 5.073 4.480 0.003 0.000 0.315 559 M C 0.604 176.908 176.300 0.008 0.000 1.052 559 M CA 0.916 56.236 55.300 0.033 0.000 0.936 559 M CB 1.491 34.097 32.600 0.010 0.000 1.639 559 M HN 1.508 nan 8.290 nan 0.000 0.433 560 S N 1.826 117.530 115.700 0.006 0.000 3.678 560 S HA 0.186 4.658 4.470 0.003 0.000 0.657 560 S C -0.297 174.302 174.600 -0.002 0.000 2.117 560 S CA 0.158 58.354 58.200 -0.006 0.000 2.262 560 S CB -0.992 62.199 63.200 -0.015 0.000 0.326 560 S HN 1.570 nan 8.310 nan 0.000 1.652 561 A N -0.082 122.735 122.820 -0.006 0.000 2.549 561 A HA 1.197 5.518 4.320 0.003 0.000 0.297 561 A C 0.820 178.401 177.584 -0.006 0.000 1.061 561 A CA 1.147 53.182 52.037 -0.003 0.000 0.690 561 A CB 0.684 19.684 19.000 -0.001 0.000 1.287 561 A HN 3.120 nan 8.150 nan 0.000 0.402 562 G N -0.142 108.655 108.800 -0.005 0.000 2.659 562 G HA2 0.317 4.279 3.960 0.003 0.000 0.214 562 G HA3 0.317 4.279 3.960 0.003 0.000 0.214 562 G C 0.514 175.410 174.900 -0.006 0.000 1.191 562 G CA 1.020 46.117 45.100 -0.005 0.000 1.141 562 G HN 1.734 nan 8.290 nan 0.000 0.581 563 D N -0.162 120.234 120.400 -0.007 0.000 2.392 563 D HA 0.475 5.116 4.640 0.003 0.000 0.206 563 D C 1.543 177.838 176.300 -0.009 0.000 1.046 563 D CA 1.873 55.868 54.000 -0.008 0.000 0.865 563 D CB -0.234 40.562 40.800 -0.007 0.000 0.969 563 D HN 1.444 nan 8.370 nan 0.000 0.509 564 D N -0.047 120.347 120.400 -0.010 0.000 3.072 564 D HA 0.623 5.265 4.640 0.003 0.000 0.250 564 D C 0.327 176.620 176.300 -0.012 0.000 1.304 564 D CA 0.406 54.399 54.000 -0.011 0.000 0.861 564 D CB 0.022 40.814 40.800 -0.013 0.000 1.062 564 D HN 0.745 nan 8.370 nan 0.000 0.481 565 A N 0.210 123.023 122.820 -0.011 0.000 2.304 565 A HA 0.711 5.033 4.320 0.003 0.000 0.323 565 A C 0.043 177.618 177.584 -0.016 0.000 1.195 565 A CA -0.416 51.614 52.037 -0.011 0.000 0.826 565 A CB 1.186 20.181 19.000 -0.008 0.000 1.184 565 A HN 0.415 nan 8.150 nan 0.000 0.496 566 Q N -0.063 119.725 119.800 -0.022 0.000 2.496 566 Q HA 0.726 5.067 4.340 0.003 0.000 0.286 566 Q C -0.745 175.220 176.000 -0.059 0.000 1.103 566 Q CA -0.965 54.817 55.803 -0.035 0.000 0.813 566 Q CB 2.568 31.287 28.738 -0.031 0.000 1.444 566 Q HN 0.917 nan 8.270 nan 0.000 0.443 567 A N 0.407 123.177 122.820 -0.084 0.000 2.318 567 A HA 0.795 5.117 4.320 0.003 0.000 0.324 567 A C -1.159 176.291 177.584 -0.224 0.000 1.170 567 A CA -0.435 51.521 52.037 -0.134 0.000 0.810 567 A CB 1.179 20.129 19.000 -0.083 0.000 1.198 567 A HN 0.609 nan 8.150 nan 0.000 0.484 568 A N 1.602 124.168 122.820 -0.424 0.000 2.288 568 A HA 0.766 5.088 4.320 0.003 0.000 0.320 568 A C 0.137 177.352 177.584 -0.616 0.000 1.217 568 A CA 0.130 51.824 52.037 -0.572 0.000 0.840 568 A CB 0.609 19.156 19.000 -0.756 0.000 1.179 568 A HN 2.104 nan 8.150 nan 0.000 0.504 569 A N 2.185 124.664 122.820 -0.568 0.000 2.355 569 A HA 0.794 5.116 4.320 0.003 0.000 0.317 569 A C -1.382 175.898 177.584 -0.506 0.000 1.094 569 A CA -0.418 51.405 52.037 -0.357 0.000 0.764 569 A CB 0.705 19.692 19.000 -0.022 0.000 1.230 569 A HN 0.795 nan 8.150 nan 0.000 0.448 570 Y N 0.720 121.160 120.300 0.232 0.000 2.391 570 Y HA 0.571 5.123 4.550 0.003 0.000 0.341 570 Y C -0.264 175.965 175.900 0.548 0.000 0.965 570 Y CA -0.979 57.352 58.100 0.386 0.000 1.067 570 Y CB 2.266 40.931 38.460 0.341 0.000 1.199 570 Y HN 0.377 nan 8.280 nan 0.000 0.450 571 V N 2.732 123.024 119.914 0.630 0.000 2.531 571 V HA 0.332 4.453 4.120 0.003 0.000 0.301 571 V C -0.600 175.495 176.094 0.002 0.000 1.034 571 V CA -1.035 61.461 62.300 0.326 0.000 0.865 571 V CB 1.901 33.850 31.823 0.210 0.000 0.995 571 V HN 0.784 nan 8.190 nan 0.000 0.424 572 E N 2.876 122.744 120.200 -0.553 0.000 2.197 572 E HA 0.765 5.117 4.350 0.003 0.000 0.281 572 E C -0.609 175.754 176.600 -0.396 0.000 0.995 572 E CA -0.381 55.446 56.400 -0.955 0.000 0.808 572 E CB 1.656 30.460 29.700 -1.492 0.000 1.093 572 E HN 0.903 nan 8.360 nan 0.000 0.394 573 A N 2.976 125.625 122.820 -0.285 0.000 2.549 573 A HA 0.385 4.707 4.320 0.003 0.000 0.297 573 A C -0.999 176.523 177.584 -0.104 0.000 1.061 573 A CA -0.665 51.286 52.037 -0.143 0.000 0.690 573 A CB 2.023 20.974 19.000 -0.082 0.000 1.287 573 A HN 0.450 nan 8.150 nan 0.000 0.402 574 S N 0.564 116.225 115.700 -0.065 0.000 2.439 574 S HA 0.563 5.034 4.470 0.003 0.000 0.282 574 S C -0.142 174.449 174.600 -0.015 0.000 1.170 574 S CA 0.203 58.384 58.200 -0.033 0.000 1.054 574 S CB -0.276 62.912 63.200 -0.020 0.000 0.956 574 S HN 1.989 nan 8.310 nan 0.000 0.490 575 V N 4.306 124.217 119.914 -0.005 0.000 2.513 575 V HA 0.823 4.945 4.120 0.003 0.000 0.299 575 V C 0.218 176.331 176.094 0.031 0.000 1.035 575 V CA -0.683 61.624 62.300 0.011 0.000 0.889 575 V CB 2.137 33.958 31.823 -0.004 0.000 0.988 575 V HN 0.827 nan 8.190 nan 0.000 0.440 576 T N 6.076 120.662 114.554 0.053 0.000 2.861 576 T HA 0.820 5.172 4.350 0.003 0.000 0.287 576 T C -0.525 174.234 174.700 0.098 0.000 1.003 576 T CA -0.100 62.034 62.100 0.057 0.000 0.977 576 T CB 1.330 70.218 68.868 0.033 0.000 0.996 576 T HN 0.611 nan 8.240 nan 0.000 0.448 577 I N 1.553 122.180 120.570 0.095 0.000 2.689 577 I HA 0.701 4.873 4.170 0.003 0.000 0.299 577 I C 0.451 176.588 176.117 0.034 0.000 1.059 577 I CA -1.376 59.999 61.300 0.126 0.000 1.055 577 I CB 1.989 40.127 38.000 0.229 0.000 1.243 577 I HN 0.715 nan 8.210 nan 0.000 0.425 615 S N 0.528 116.241 115.700 0.022 0.000 2.532 615 S HA 0.983 5.454 4.470 0.003 0.000 0.299 615 S C -0.388 174.226 174.600 0.023 0.000 1.105 615 S CA 0.075 58.289 58.200 0.022 0.000 1.018 615 S CB 1.429 64.639 63.200 0.018 0.000 1.021 615 S HN 1.463 nan 8.310 nan 0.000 0.483 616 K N 1.710 122.123 120.400 0.022 0.000 2.397 616 K HA 0.707 5.028 4.320 0.003 0.000 0.253 616 K C -0.272 176.337 176.600 0.016 0.000 0.932 616 K CA -0.868 55.434 56.287 0.025 0.000 0.795 616 K CB 1.080 33.597 32.500 0.029 0.000 1.159 616 K HN 0.768 nan 8.250 nan 0.000 0.424 617 T N 2.311 116.877 114.554 0.021 0.000 2.737 617 T HA 0.477 4.828 4.350 0.003 0.000 0.296 617 T C 0.313 175.029 174.700 0.027 0.000 0.922 617 T CA -0.022 62.079 62.100 0.002 0.000 1.079 617 T CB -0.224 68.646 68.868 0.004 0.000 0.892 617 T HN 1.028 nan 8.240 nan 0.000 0.514 618 V N 0.861 120.773 119.914 -0.003 0.000 3.078 618 V HA 0.788 4.909 4.120 0.003 0.000 0.311 618 V C -1.389 174.721 176.094 0.025 0.000 1.138 618 V CA -1.645 60.702 62.300 0.077 0.000 1.007 618 V CB 1.571 33.441 31.823 0.077 0.000 1.045 618 V HN 0.828 nan 8.190 nan 0.000 0.432 619 W N 0.669 122.089 121.300 0.200 0.000 2.436 619 W HA 0.833 5.494 4.660 0.002 0.000 0.347 619 W C 0.615 177.305 176.519 0.285 0.000 1.136 619 W CA 0.261 57.749 57.345 0.238 0.000 1.286 619 W CB 1.922 31.526 29.460 0.240 0.000 1.253 619 W HN 1.058 nan 8.180 nan 0.000 0.617 620 G N 0.300 109.404 108.800 0.507 0.000 2.620 620 G HA2 0.643 4.605 3.960 0.003 0.000 0.301 620 G HA3 0.643 4.605 3.960 0.003 0.000 0.301 620 G C -2.111 172.986 174.900 0.328 0.000 1.347 620 G CA -0.751 44.571 45.100 0.370 0.000 0.971 620 G HN 0.294 nan 8.290 nan 0.000 0.488 621 V N 0.254 120.283 119.914 0.193 0.000 2.604 621 V HA 0.910 5.031 4.120 0.003 0.000 0.305 621 V C 0.504 176.590 176.094 -0.013 0.000 1.043 621 V CA -0.353 61.980 62.300 0.055 0.000 0.888 621 V CB 1.837 33.654 31.823 -0.010 0.000 0.995 621 V HN 1.130 nan 8.190 nan 0.000 0.429 622 G N 3.592 112.333 108.800 -0.099 0.000 2.662 622 G HA2 0.788 4.749 3.960 0.003 0.000 0.302 622 G HA3 0.788 4.749 3.960 0.003 0.000 0.302 622 G C -1.455 173.370 174.900 -0.126 0.000 1.389 622 G CA -0.506 44.548 45.100 -0.077 0.000 0.998 622 G HN 0.580 nan 8.290 nan 0.000 0.502 623 I N 1.309 121.837 120.570 -0.069 0.000 2.436 623 I HA 0.730 4.901 4.170 0.003 0.000 0.289 623 I C 0.172 176.262 176.117 -0.046 0.000 1.010 623 I CA -0.526 60.736 61.300 -0.063 0.000 1.098 623 I CB 2.083 40.084 38.000 0.001 0.000 1.266 623 I HN 0.737 nan 8.210 nan 0.000 0.434 624 A N 6.641 129.428 122.820 -0.056 0.000 2.601 624 A HA 0.680 5.002 4.320 0.003 0.000 0.291 624 A C -2.616 174.943 177.584 -0.041 0.000 1.075 624 A CA -0.995 51.017 52.037 -0.043 0.000 0.671 624 A CB 1.134 20.104 19.000 -0.050 0.000 1.277 624 A HN 0.424 nan 8.150 nan 0.000 0.417 625 P HA -0.005 nan 4.420 nan 0.000 0.219 625 P C 0.707 177.990 177.300 -0.029 0.000 1.150 625 P CA 1.313 64.397 63.100 -0.027 0.000 0.814 625 P CB 0.269 31.956 31.700 -0.021 0.000 0.787 626 S N -0.474 115.205 115.700 -0.034 0.000 2.499 626 S HA 0.230 4.701 4.470 0.003 0.000 0.279 626 S C 1.408 175.989 174.600 -0.033 0.000 1.219 626 S CA -0.755 57.425 58.200 -0.032 0.000 1.062 626 S CB -0.124 63.053 63.200 -0.039 0.000 0.978 626 S HN 0.047 nan 8.310 nan 0.000 0.489 627 I N 2.972 123.530 120.570 -0.019 0.000 2.423 627 I HA -0.065 4.106 4.170 0.003 0.000 0.254 627 I C 1.709 177.823 176.117 -0.006 0.000 1.151 627 I CA 1.387 62.685 61.300 -0.003 0.000 1.421 627 I CB -0.881 37.132 38.000 0.022 0.000 1.079 627 I HN 0.489 nan 8.210 nan 0.000 0.431 628 T N 1.040 115.577 114.554 -0.028 0.000 2.770 628 T HA -0.072 4.279 4.350 0.003 0.000 0.258 628 T C 1.872 176.526 174.700 -0.076 0.000 1.039 628 T CA 2.115 64.185 62.100 -0.051 0.000 1.143 628 T CB -0.377 68.457 68.868 -0.056 0.000 0.866 628 T HN 0.466 nan 8.240 nan 0.000 0.428 629 T N 2.187 116.693 114.554 -0.080 0.000 2.915 629 T HA 0.076 4.428 4.350 0.003 0.000 0.269 629 T C 2.365 177.008 174.700 -0.094 0.000 1.071 629 T CA 0.878 62.914 62.100 -0.107 0.000 1.132 629 T CB -0.471 68.342 68.868 -0.092 0.000 0.878 629 T HN 0.373 nan 8.240 nan 0.000 0.479 630 A N 2.363 125.143 122.820 -0.067 0.000 1.883 630 A HA -0.152 4.169 4.320 0.003 0.000 0.217 630 A C 2.642 180.201 177.584 -0.042 0.000 1.186 630 A CA 2.306 54.304 52.037 -0.065 0.000 0.624 630 A CB -1.080 17.876 19.000 -0.073 0.000 0.822 630 A HN 0.619 nan 8.150 nan 0.000 0.444 631 S N -0.080 115.614 115.700 -0.010 0.000 2.383 631 S HA -0.079 4.393 4.470 0.003 0.000 0.227 631 S C 1.892 176.488 174.600 -0.006 0.000 1.026 631 S CA 1.436 59.658 58.200 0.038 0.000 0.981 631 S CB -0.712 62.501 63.200 0.021 0.000 0.818 631 S HN 0.456 nan 8.310 nan 0.000 0.472 632 L N 0.578 121.740 121.223 -0.102 0.000 2.093 632 L HA 0.031 4.372 4.340 0.003 0.000 0.208 632 L C 3.173 179.967 176.870 -0.127 0.000 1.085 632 L CA 1.187 55.889 54.840 -0.230 0.000 0.755 632 L CB -0.462 41.296 42.059 -0.502 0.000 0.904 632 L HN 0.281 nan 8.230 nan 0.000 0.435 633 R N 0.087 120.534 120.500 -0.089 0.000 2.081 633 R HA -0.126 4.216 4.340 0.003 0.000 0.235 633 R C 2.494 178.805 176.300 0.017 0.000 1.131 633 R CA 1.285 57.361 56.100 -0.040 0.000 0.960 633 R CB -0.485 29.787 30.300 -0.048 0.000 0.856 633 R HN 0.341 nan 8.270 nan 0.000 0.436 634 A N 0.707 123.546 122.820 0.032 0.000 1.917 634 A HA -0.168 4.154 4.320 0.003 0.000 0.219 634 A C 2.334 179.988 177.584 0.118 0.000 1.182 634 A CA 1.775 53.864 52.037 0.086 0.000 0.633 634 A CB -0.635 18.436 19.000 0.118 0.000 0.819 634 A HN 0.142 nan 8.150 nan 0.000 0.448 635 V N -0.531 119.464 119.914 0.136 0.000 2.358 635 V HA -0.215 3.906 4.120 0.003 0.000 0.246 635 V C 2.556 178.716 176.094 0.110 0.000 1.047 635 V CA 1.872 64.263 62.300 0.153 0.000 1.035 635 V CB -0.840 31.156 31.823 0.288 0.000 0.658 635 V HN 0.379 nan 8.190 nan 0.000 0.452 636 V N 0.646 120.649 119.914 0.147 0.000 2.295 636 V HA -0.251 3.870 4.120 0.003 0.000 0.246 636 V C 2.970 179.062 176.094 -0.003 0.000 1.049 636 V CA 2.388 64.723 62.300 0.059 0.000 1.024 636 V CB -1.389 30.482 31.823 0.080 0.000 0.648 636 V HN 0.679 nan 8.190 nan 0.000 0.447 637 S N 0.282 115.998 115.700 0.026 0.000 2.365 637 S HA -0.260 4.211 4.470 0.003 0.000 0.225 637 S C 2.134 176.756 174.600 0.036 0.000 1.039 637 S CA 2.471 60.689 58.200 0.031 0.000 1.033 637 S CB -0.633 62.618 63.200 0.086 0.000 0.887 637 S HN 0.603 nan 8.310 nan 0.000 0.447 638 A N 0.594 123.454 122.820 0.066 0.000 1.865 638 A HA 0.048 4.370 4.320 0.003 0.000 0.217 638 A C 2.456 180.017 177.584 -0.039 0.000 1.191 638 A CA 1.927 53.994 52.037 0.049 0.000 0.623 638 A CB -1.075 17.957 19.000 0.053 0.000 0.826 638 A HN 0.532 nan 8.150 nan 0.000 0.444 639 V N 1.117 120.967 119.914 -0.107 0.000 2.282 639 V HA -0.308 3.814 4.120 0.003 0.000 0.249 639 V C 2.299 178.269 176.094 -0.207 0.000 1.057 639 V CA 2.345 64.504 62.300 -0.235 0.000 1.032 639 V CB -0.984 30.558 31.823 -0.469 0.000 0.645 639 V HN 0.580 nan 8.190 nan 0.000 0.447 640 N N -0.332 118.269 118.700 -0.165 0.000 2.270 640 N HA -0.081 4.660 4.740 0.003 0.000 0.181 640 N C 1.932 177.375 175.510 -0.111 0.000 1.016 640 N CA 0.917 53.887 53.050 -0.132 0.000 0.870 640 N CB -0.338 38.083 38.487 -0.111 0.000 0.979 640 N HN 0.436 nan 8.380 nan 0.000 0.431 641 R N 0.752 121.187 120.500 -0.108 0.000 2.092 641 R HA 0.065 4.406 4.340 0.003 0.000 0.231 641 R C 1.869 178.123 176.300 -0.076 0.000 1.119 641 R CA 0.983 57.006 56.100 -0.129 0.000 0.970 641 R CB -0.330 29.886 30.300 -0.139 0.000 0.864 641 R HN 0.165 nan 8.270 nan 0.000 0.440 642 A N 0.886 123.677 122.820 -0.049 0.000 2.125 642 A HA 0.055 4.376 4.320 0.003 0.000 0.219 642 A C 1.152 178.725 177.584 -0.018 0.000 1.156 642 A CA 1.351 53.373 52.037 -0.024 0.000 0.671 642 A CB -0.156 18.833 19.000 -0.017 0.000 0.794 642 A HN 0.362 nan 8.150 nan 0.000 0.459 643 A N 0.000 122.799 122.820 -0.034 0.000 2.254 643 A HA 0.000 4.322 4.320 0.003 0.000 0.244 643 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 643 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 643 A HN 0.000 nan 8.150 nan 0.000 0.486