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 3mww_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR DATA SEQUENCE VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW DATA SEQUENCE RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.566 174.600 -0.057 0.000 1.055 1 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 1 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 2 M N 3.002 122.564 119.600 -0.063 0.000 2.219 2 M HA 0.246 4.726 4.480 -0.001 0.000 0.353 2 M C 1.871 178.062 176.300 -0.181 0.000 1.304 2 M CA 0.067 55.314 55.300 -0.089 0.000 1.115 2 M CB 0.467 33.038 32.600 -0.049 0.000 1.664 2 M HN 1.032 nan 8.290 nan 0.000 0.459 3 S N 2.945 118.472 115.700 -0.288 0.000 2.370 3 S HA -0.100 4.370 4.470 -0.001 0.000 0.226 3 S C 0.238 174.472 174.600 -0.611 0.000 1.033 3 S CA 1.008 58.937 58.200 -0.452 0.000 1.011 3 S CB -0.219 62.664 63.200 -0.529 0.000 0.852 3 S HN 0.652 nan 8.310 nan 0.000 0.457 4 Y N -0.245 119.905 120.300 -0.250 0.000 2.581 4 Y HA 0.640 5.189 4.550 -0.000 0.000 0.345 4 Y C -0.131 175.462 175.900 -0.512 0.000 1.036 4 Y CA -0.975 56.856 58.100 -0.447 0.000 1.042 4 Y CB 2.251 40.391 38.460 -0.533 0.000 1.289 4 Y HN -0.140 nan 8.280 nan 0.000 0.471 5 T N 1.413 115.618 114.554 -0.581 0.000 2.971 5 T HA 0.383 4.732 4.350 -0.001 0.000 0.304 5 T C -1.775 172.585 174.700 -0.566 0.000 1.038 5 T CA -0.828 61.032 62.100 -0.400 0.000 1.007 5 T CB 0.508 69.284 68.868 -0.154 0.000 1.055 5 T HN 0.456 nan 8.240 nan 0.000 0.451 6 W N 1.606 122.962 121.300 0.092 0.000 2.632 6 W HA 0.412 5.072 4.660 -0.000 0.000 0.328 6 W C 1.593 178.142 176.519 0.050 0.000 1.044 6 W CA -0.913 56.473 57.345 0.069 0.000 1.225 6 W CB 0.936 30.423 29.460 0.045 0.000 1.396 6 W HN 0.775 nan 8.180 nan 0.000 0.499 7 T N -1.675 113.036 114.554 0.262 0.000 2.851 7 T HA 0.236 4.586 4.350 -0.001 0.000 0.262 7 T C 1.434 176.223 174.700 0.147 0.000 1.043 7 T CA 1.569 63.764 62.100 0.159 0.000 1.140 7 T CB -0.284 68.658 68.868 0.124 0.000 0.872 7 T HN 1.082 nan 8.240 nan 0.000 0.446 8 G N 0.821 109.721 108.800 0.167 0.000 3.033 8 G HA2 0.247 4.207 3.960 -0.001 0.000 0.208 8 G HA3 0.247 4.207 3.960 -0.001 0.000 0.208 8 G C 0.380 175.320 174.900 0.067 0.000 1.006 8 G CA -0.015 45.145 45.100 0.100 0.000 0.808 8 G HN 0.931 nan 8.290 nan 0.000 0.499 9 A N 0.629 123.500 122.820 0.086 0.000 2.492 9 A HA 0.629 4.949 4.320 -0.001 0.000 0.236 9 A C 0.479 178.085 177.584 0.037 0.000 1.078 9 A CA 0.501 52.574 52.037 0.060 0.000 0.773 9 A CB 0.114 19.159 19.000 0.074 0.000 1.023 9 A HN 0.815 nan 8.150 nan 0.000 0.504 10 L N 0.737 121.966 121.223 0.010 0.000 2.344 10 L HA 0.422 4.762 4.340 -0.001 0.000 0.272 10 L C -0.248 176.613 176.870 -0.014 0.000 1.035 10 L CA -0.608 54.216 54.840 -0.027 0.000 0.807 10 L CB 1.390 43.430 42.059 -0.032 0.000 1.237 10 L HN 0.562 nan 8.230 nan 0.000 0.442 11 I N 1.737 122.280 120.570 -0.046 0.000 2.421 11 I HA 0.076 4.245 4.170 -0.001 0.000 0.291 11 I C 0.596 176.709 176.117 -0.008 0.000 1.089 11 I CA 0.104 61.393 61.300 -0.018 0.000 1.354 11 I CB 0.574 38.547 38.000 -0.045 0.000 1.413 11 I HN 0.670 nan 8.210 nan 0.000 0.513 12 T N 4.327 118.887 114.554 0.010 0.000 2.944 12 T HA 0.675 5.025 4.350 -0.001 0.000 0.284 12 T C -2.662 172.053 174.700 0.026 0.000 1.010 12 T CA -2.068 60.041 62.100 0.014 0.000 1.025 12 T CB 1.974 70.850 68.868 0.013 0.000 1.079 12 T HN 0.173 nan 8.240 nan 0.000 0.516 13 P HA 0.535 nan 4.420 nan 0.000 0.285 13 P C 0.014 177.334 177.300 0.034 0.000 1.280 13 P CA -0.838 62.284 63.100 0.037 0.000 0.862 13 P CB 0.968 32.690 31.700 0.036 0.000 1.153 14 C N 0.063 119.386 119.300 0.038 0.000 2.793 14 C HA 0.466 4.926 4.460 -0.001 0.000 0.285 14 C C 1.447 176.454 174.990 0.027 0.000 1.325 14 C CA 0.843 59.879 59.018 0.031 0.000 1.694 14 C CB -1.189 26.571 27.740 0.034 0.000 2.151 14 C HN 0.596 nan 8.230 nan 0.000 0.532 15 A N 0.419 123.258 122.820 0.032 0.000 2.247 15 A HA 0.743 5.062 4.320 -0.001 0.000 0.313 15 A C 0.146 177.753 177.584 0.039 0.000 1.109 15 A CA 0.242 52.298 52.037 0.032 0.000 0.890 15 A CB -0.311 18.708 19.000 0.032 0.000 1.239 15 A HN 0.687 nan 8.150 nan 0.000 0.506 16 A N -0.459 122.385 122.820 0.040 0.000 2.425 16 A HA 0.500 4.820 4.320 -0.001 0.000 0.242 16 A C -0.122 177.501 177.584 0.064 0.000 1.077 16 A CA 0.008 52.074 52.037 0.047 0.000 0.781 16 A CB -0.163 18.863 19.000 0.043 0.000 1.020 16 A HN 0.706 nan 8.150 nan 0.000 0.494 17 E N 1.209 121.454 120.200 0.074 0.000 2.165 17 E HA 0.306 4.656 4.350 -0.001 0.000 0.266 17 E C -1.037 175.642 176.600 0.133 0.000 0.889 17 E CA -0.689 55.770 56.400 0.100 0.000 0.756 17 E CB 1.377 31.128 29.700 0.085 0.000 1.131 17 E HN 0.584 nan 8.360 nan 0.000 0.411 18 E N 1.564 121.878 120.200 0.190 0.000 2.289 18 E HA 0.083 4.432 4.350 -0.001 0.000 0.278 18 E C 0.286 177.101 176.600 0.358 0.000 1.032 18 E CA -0.093 56.458 56.400 0.251 0.000 0.854 18 E CB 1.442 31.308 29.700 0.278 0.000 1.046 18 E HN 0.587 nan 8.360 nan 0.000 0.409 19 S N 1.680 117.571 115.700 0.318 0.000 2.589 19 S HA 0.164 4.634 4.470 -0.001 0.000 0.235 19 S C 0.500 175.350 174.600 0.416 0.000 1.051 19 S CA -0.237 58.154 58.200 0.319 0.000 0.978 19 S CB 0.552 63.875 63.200 0.205 0.000 0.929 19 S HN 0.205 nan 8.310 nan 0.000 0.523 20 K N 1.086 121.707 120.400 0.369 0.000 2.156 20 K HA 0.526 4.846 4.320 -0.001 0.000 0.254 20 K C -1.347 175.403 176.600 0.249 0.000 0.950 20 K CA -0.914 55.563 56.287 0.318 0.000 0.849 20 K CB 1.692 34.300 32.500 0.180 0.000 1.100 20 K HN 0.139 nan 8.250 nan 0.000 0.434 21 L N 4.152 125.524 121.223 0.248 0.000 2.313 21 L HA 0.271 4.611 4.340 -0.001 0.000 0.282 21 L C -2.424 174.372 176.870 -0.123 0.000 1.092 21 L CA -1.454 53.409 54.840 0.038 0.000 0.831 21 L CB 0.145 42.340 42.059 0.226 0.000 1.159 21 L HN 0.419 nan 8.230 nan 0.000 0.442 22 P HA 0.127 nan 4.420 nan 0.000 0.271 22 P C -0.497 176.643 177.300 -0.267 0.000 1.233 22 P CA 0.098 63.054 63.100 -0.240 0.000 0.789 22 P CB 0.416 31.967 31.700 -0.248 0.000 0.951 23 I N 1.597 122.013 120.570 -0.257 0.000 2.243 23 I HA 0.140 4.310 4.170 -0.001 0.000 0.289 23 I C 0.561 176.601 176.117 -0.129 0.000 1.140 23 I CA -0.213 60.944 61.300 -0.239 0.000 1.289 23 I CB -0.560 37.307 38.000 -0.222 0.000 1.498 23 I HN 0.261 nan 8.210 nan 0.000 0.561 24 N N 6.674 125.309 118.700 -0.108 0.000 2.419 24 N HA 0.270 5.010 4.740 -0.001 0.000 0.277 24 N C -1.624 173.861 175.510 -0.042 0.000 1.006 24 N CA -1.852 51.151 53.050 -0.078 0.000 0.923 24 N CB 2.284 40.715 38.487 -0.093 0.000 1.140 24 N HN 0.105 nan 8.380 nan 0.000 0.488 25 P HA -0.150 nan 4.420 nan 0.000 0.218 25 P C 1.530 178.826 177.300 -0.008 0.000 1.148 25 P CA 0.701 63.789 63.100 -0.020 0.000 0.822 25 P CB 0.603 32.288 31.700 -0.025 0.000 0.784 26 L N 0.773 121.988 121.223 -0.013 0.000 2.044 26 L HA -0.103 4.237 4.340 -0.001 0.000 0.205 26 L C 2.896 179.813 176.870 0.078 0.000 1.075 26 L CA 2.432 57.276 54.840 0.006 0.000 0.747 26 L CB -1.874 40.166 42.059 -0.031 0.000 0.903 26 L HN 0.091 nan 8.230 nan 0.000 0.435 27 S N -1.255 114.470 115.700 0.042 0.000 2.406 27 S HA -0.170 4.299 4.470 -0.001 0.000 0.228 27 S C 1.872 176.494 174.600 0.036 0.000 1.020 27 S CA 1.154 59.382 58.200 0.046 0.000 0.965 27 S CB -0.794 62.410 63.200 0.006 0.000 0.798 27 S HN 0.453 nan 8.310 nan 0.000 0.488 28 N N 2.230 120.949 118.700 0.032 0.000 2.381 28 N HA -0.087 4.653 4.740 -0.001 0.000 0.182 28 N C 1.640 177.166 175.510 0.027 0.000 1.025 28 N CA 1.336 54.410 53.050 0.040 0.000 0.888 28 N CB -0.367 38.142 38.487 0.036 0.000 0.965 28 N HN 0.642 nan 8.380 nan 0.000 0.438 29 S N -1.182 114.538 115.700 0.033 0.000 2.562 29 S HA 0.009 4.478 4.470 -0.001 0.000 0.221 29 S C 1.491 176.105 174.600 0.023 0.000 0.975 29 S CA 0.142 58.346 58.200 0.007 0.000 0.918 29 S CB -0.010 63.196 63.200 0.009 0.000 0.772 29 S HN 0.336 nan 8.310 nan 0.000 0.531 30 L N -0.060 121.190 121.223 0.045 0.000 2.445 30 L HA 0.602 4.942 4.340 -0.001 0.000 0.207 30 L C 0.077 176.973 176.870 0.043 0.000 1.053 30 L CA 0.724 55.586 54.840 0.037 0.000 0.841 30 L CB 0.306 42.116 42.059 -0.415 0.000 1.074 30 L HN 0.439 nan 8.230 nan 0.000 0.479 31 L N -0.193 121.035 121.223 0.008 0.000 2.504 31 L HA 0.399 4.739 4.340 -0.001 0.000 0.265 31 L C 0.403 177.288 176.870 0.025 0.000 0.975 31 L CA -0.516 54.329 54.840 0.007 0.000 0.864 31 L CB 1.257 43.330 42.059 0.024 0.000 1.212 31 L HN -0.053 nan 8.230 nan 0.000 0.416 32 R N 0.722 121.198 120.500 -0.040 0.000 2.073 32 R HA 0.053 4.393 4.340 -0.001 0.000 0.229 32 R C 0.478 176.832 176.300 0.091 0.000 1.120 32 R CA 1.247 57.353 56.100 0.011 0.000 0.967 32 R CB -0.303 29.968 30.300 -0.049 0.000 0.862 32 R HN 0.621 nan 8.270 nan 0.000 0.436 33 H N 0.571 119.631 119.070 -0.016 0.000 3.268 33 H HA -0.008 4.548 4.556 -0.001 0.000 0.213 33 H C 0.711 175.998 175.328 -0.068 0.000 1.858 33 H CA -0.169 55.824 56.048 -0.092 0.000 1.386 33 H CB -0.257 29.480 29.762 -0.041 0.000 1.734 33 H HN 0.486 nan 8.280 nan 0.000 0.612 34 H N -0.756 118.411 119.070 0.161 0.000 2.460 34 H HA -0.140 4.415 4.556 -0.001 0.000 0.297 34 H C 1.334 176.750 175.328 0.146 0.000 1.103 34 H CA 1.100 57.226 56.048 0.131 0.000 1.292 34 H CB -0.084 29.730 29.762 0.088 0.000 1.376 34 H HN 0.344 nan 8.280 nan 0.000 0.531 35 N N 0.266 118.962 118.700 -0.006 0.000 2.550 35 N HA -0.040 4.699 4.740 -0.001 0.000 0.186 35 N C 0.772 176.368 175.510 0.142 0.000 1.110 35 N CA 0.985 54.105 53.050 0.116 0.000 0.912 35 N CB -0.032 38.447 38.487 -0.014 0.000 0.968 35 N HN 0.558 nan 8.380 nan 0.000 0.448 36 M N -0.081 119.611 119.600 0.153 0.000 2.431 36 M HA 0.131 4.610 4.480 -0.001 0.000 0.237 36 M C -0.241 176.215 176.300 0.259 0.000 1.130 36 M CA 0.156 55.566 55.300 0.184 0.000 1.002 36 M CB 0.941 33.631 32.600 0.150 0.000 1.524 36 M HN -0.290 nan 8.290 nan 0.000 0.482 37 V N 1.528 121.611 119.914 0.282 0.000 2.334 37 V HA 0.346 4.466 4.120 -0.001 0.000 0.281 37 V C -0.810 175.502 176.094 0.364 0.000 1.016 37 V CA -0.832 61.635 62.300 0.277 0.000 0.832 37 V CB 0.089 32.081 31.823 0.282 0.000 0.999 37 V HN 0.310 nan 8.190 nan 0.000 0.439 38 Y N 3.012 123.414 120.300 0.170 0.000 2.630 38 Y HA 0.971 5.521 4.550 -0.001 0.000 0.337 38 Y C -0.208 175.667 175.900 -0.042 0.000 1.051 38 Y CA -1.672 56.508 58.100 0.135 0.000 1.121 38 Y CB 1.802 40.333 38.460 0.118 0.000 1.299 38 Y HN 0.593 nan 8.280 nan 0.000 0.498 39 A N 1.165 123.984 122.820 -0.001 0.000 2.371 39 A HA 0.645 4.965 4.320 -0.001 0.000 0.311 39 A C -0.233 177.399 177.584 0.080 0.000 1.068 39 A CA -0.449 51.427 52.037 -0.268 0.000 0.744 39 A CB 0.505 19.166 19.000 -0.565 0.000 1.239 39 A HN 1.040 nan 8.150 nan 0.000 0.435 40 T N 0.054 114.654 114.554 0.076 0.000 2.860 40 T HA 0.589 4.938 4.350 -0.001 0.000 0.299 40 T C 0.416 175.168 174.700 0.086 0.000 1.045 40 T CA 0.436 62.632 62.100 0.161 0.000 1.071 40 T CB 0.867 69.833 68.868 0.164 0.000 0.985 40 T HN 1.668 nan 8.240 nan 0.000 0.537 41 T N -2.507 112.099 114.554 0.086 0.000 2.787 41 T HA 0.471 4.821 4.350 -0.001 0.000 0.297 41 T C 1.371 176.099 174.700 0.046 0.000 1.221 41 T CA -0.197 61.941 62.100 0.064 0.000 1.006 41 T CB 1.202 70.112 68.868 0.071 0.000 1.328 41 T HN 0.819 nan 8.240 nan 0.000 0.509 42 S N 0.505 116.227 115.700 0.036 0.000 2.419 42 S HA -0.178 4.292 4.470 -0.001 0.000 0.235 42 S C 1.794 176.395 174.600 0.001 0.000 1.019 42 S CA 0.853 59.063 58.200 0.016 0.000 0.982 42 S CB -0.811 62.399 63.200 0.017 0.000 0.789 42 S HN 0.734 nan 8.310 nan 0.000 0.490 43 R N 1.383 121.890 120.500 0.012 0.000 2.261 43 R HA -0.064 4.275 4.340 -0.001 0.000 0.236 43 R C 1.914 178.206 176.300 -0.012 0.000 1.141 43 R CA 1.451 57.552 56.100 0.001 0.000 1.001 43 R CB -0.514 29.794 30.300 0.013 0.000 0.866 43 R HN 0.788 nan 8.270 nan 0.000 0.468 44 S N -1.726 113.969 115.700 -0.008 0.000 2.603 44 S HA 0.286 4.755 4.470 -0.001 0.000 0.232 44 S C 1.706 176.281 174.600 -0.043 0.000 1.016 44 S CA 0.080 58.267 58.200 -0.021 0.000 0.976 44 S CB 0.989 64.188 63.200 -0.002 0.000 0.921 44 S HN 0.243 nan 8.310 nan 0.000 0.516 45 A N 2.735 125.523 122.820 -0.053 0.000 1.903 45 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 45 A C 2.440 179.931 177.584 -0.154 0.000 1.191 45 A CA 2.271 54.253 52.037 -0.092 0.000 0.638 45 A CB -1.634 17.305 19.000 -0.101 0.000 0.823 45 A HN 0.730 nan 8.150 nan 0.000 0.451 46 S N -0.304 115.300 115.700 -0.159 0.000 2.381 46 S HA -0.231 4.239 4.470 -0.001 0.000 0.230 46 S C 1.944 176.449 174.600 -0.159 0.000 1.052 46 S CA 1.922 60.006 58.200 -0.193 0.000 1.068 46 S CB -0.646 62.472 63.200 -0.137 0.000 0.918 46 S HN 0.499 nan 8.310 nan 0.000 0.448 47 L N 0.509 121.672 121.223 -0.100 0.000 2.017 47 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 47 L C 2.972 179.807 176.870 -0.059 0.000 1.073 47 L CA 1.759 56.559 54.840 -0.066 0.000 0.745 47 L CB -0.561 41.471 42.059 -0.046 0.000 0.894 47 L HN 0.287 nan 8.230 nan 0.000 0.432 48 R N 0.447 120.908 120.500 -0.065 0.000 2.081 48 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 48 R C 2.264 178.524 176.300 -0.065 0.000 1.131 48 R CA 1.609 57.684 56.100 -0.042 0.000 0.960 48 R CB -0.417 29.862 30.300 -0.036 0.000 0.856 48 R HN 0.408 nan 8.270 nan 0.000 0.436 49 Q N -0.148 119.545 119.800 -0.179 0.000 2.135 49 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 49 Q C 1.856 177.814 176.000 -0.070 0.000 0.981 49 Q CA 1.336 56.983 55.803 -0.260 0.000 0.856 49 Q CB -0.160 28.152 28.738 -0.711 0.000 0.902 49 Q HN 0.127 nan 8.270 nan 0.000 0.425 50 K N 1.225 121.584 120.400 -0.069 0.000 2.209 50 K HA -0.151 4.169 4.320 -0.001 0.000 0.204 50 K C 1.770 178.426 176.600 0.094 0.000 1.048 50 K CA 1.083 57.379 56.287 0.015 0.000 0.940 50 K CB 0.087 32.578 32.500 -0.015 0.000 0.729 50 K HN 0.068 nan 8.250 nan 0.000 0.451 51 K N 0.457 120.912 120.400 0.093 0.000 2.202 51 K HA -0.035 4.285 4.320 -0.001 0.000 0.201 51 K C 1.760 178.533 176.600 0.288 0.000 1.051 51 K CA 0.707 57.084 56.287 0.150 0.000 0.977 51 K CB 0.306 32.865 32.500 0.098 0.000 0.792 51 K HN 0.024 nan 8.250 nan 0.000 0.469 52 V N -0.712 119.352 119.914 0.250 0.000 3.461 52 V HA 0.095 4.214 4.120 -0.001 0.000 0.267 52 V C 0.280 176.552 176.094 0.297 0.000 1.186 52 V CA 0.355 62.846 62.300 0.318 0.000 1.154 52 V CB -0.155 31.783 31.823 0.192 0.000 0.802 52 V HN 0.014 nan 8.190 nan 0.000 0.474 53 T N 4.290 119.043 114.554 0.331 0.000 2.733 53 T HA 0.694 5.043 4.350 -0.001 0.000 0.294 53 T C -0.727 174.158 174.700 0.308 0.000 0.956 53 T CA 0.011 62.293 62.100 0.304 0.000 0.987 53 T CB 0.343 69.484 68.868 0.454 0.000 0.920 53 T HN 0.678 nan 8.240 nan 0.000 0.470 54 F N -0.033 120.023 119.950 0.178 0.000 2.858 54 F HA 0.635 5.161 4.527 -0.001 0.000 0.319 54 F C -1.606 174.239 175.800 0.074 0.000 1.166 54 F CA -1.665 56.401 58.000 0.109 0.000 0.899 54 F CB 0.674 39.728 39.000 0.090 0.000 1.332 54 F HN 0.199 nan 8.300 nan 0.000 0.461 55 D N 0.761 121.378 120.400 0.362 0.000 2.225 55 D HA 0.483 5.122 4.640 -0.001 0.000 0.248 55 D C -0.836 175.652 176.300 0.314 0.000 1.096 55 D CA -0.183 53.940 54.000 0.206 0.000 0.863 55 D CB 0.968 41.850 40.800 0.137 0.000 1.156 55 D HN 0.514 nan 8.370 nan 0.000 0.450 56 R N 2.142 122.741 120.500 0.165 0.000 2.221 56 R HA 0.421 4.760 4.340 -0.001 0.000 0.327 56 R C -0.576 175.781 176.300 0.095 0.000 1.033 56 R CA -0.526 55.681 56.100 0.178 0.000 0.887 56 R CB 0.748 31.099 30.300 0.085 0.000 1.057 56 R HN 0.435 nan 8.270 nan 0.000 0.455 57 L N 2.584 123.860 121.223 0.088 0.000 2.289 57 L HA 0.440 4.780 4.340 -0.001 0.000 0.285 57 L C -0.870 176.014 176.870 0.023 0.000 1.049 57 L CA -0.265 54.599 54.840 0.039 0.000 0.804 57 L CB 0.954 43.028 42.059 0.025 0.000 1.195 57 L HN 0.640 nan 8.230 nan 0.000 0.428 58 Q N 4.096 123.898 119.800 0.003 0.000 2.296 58 Q HA 0.457 4.797 4.340 -0.001 0.000 0.254 58 Q C -2.150 173.834 176.000 -0.026 0.000 0.936 58 Q CA -0.606 55.191 55.803 -0.010 0.000 0.834 58 Q CB 2.314 31.034 28.738 -0.031 0.000 1.340 58 Q HN 0.549 nan 8.270 nan 0.000 0.428 59 V N 5.348 125.257 119.914 -0.007 0.000 2.444 59 V HA 0.461 4.581 4.120 -0.001 0.000 0.294 59 V C -0.010 176.092 176.094 0.014 0.000 1.022 59 V CA -0.637 61.656 62.300 -0.011 0.000 0.850 59 V CB 1.388 33.208 31.823 -0.004 0.000 0.992 59 V HN 0.765 nan 8.190 nan 0.000 0.426 60 L N 4.479 125.656 121.223 -0.077 0.000 2.454 60 L HA 0.724 5.064 4.340 -0.001 0.000 0.256 60 L C -0.069 176.821 176.870 0.033 0.000 1.136 60 L CA -0.321 54.427 54.840 -0.154 0.000 0.804 60 L CB 1.383 43.234 42.059 -0.347 0.000 1.181 60 L HN 0.843 nan 8.230 nan 0.000 0.469 61 D N -1.896 118.577 120.400 0.122 0.000 2.692 61 D HA 0.080 4.719 4.640 -0.001 0.000 0.303 61 D C -0.223 176.165 176.300 0.147 0.000 1.278 61 D CA -0.466 53.620 54.000 0.143 0.000 0.852 61 D CB 0.870 41.783 40.800 0.188 0.000 1.375 61 D HN 0.302 nan 8.370 nan 0.000 0.453 62 D N -0.681 119.754 120.400 0.058 0.000 2.149 62 D HA -0.159 4.480 4.640 -0.001 0.000 0.198 62 D C 1.691 178.016 176.300 0.041 0.000 0.990 62 D CA 1.331 55.333 54.000 0.005 0.000 0.839 62 D CB -0.233 40.511 40.800 -0.094 0.000 0.948 62 D HN 0.391 nan 8.370 nan 0.000 0.460 63 H N -0.671 118.473 119.070 0.124 0.000 2.321 63 H HA -0.153 4.403 4.556 0.001 0.000 0.300 63 H C 2.036 177.419 175.328 0.092 0.000 1.087 63 H CA 1.161 57.279 56.048 0.117 0.000 1.319 63 H CB -0.716 29.149 29.762 0.172 0.000 1.379 63 H HN 0.296 nan 8.280 nan 0.000 0.501 64 Y N 1.794 122.157 120.300 0.105 0.000 2.128 64 Y HA -0.222 4.328 4.550 -0.001 0.000 0.284 64 Y C 2.677 178.530 175.900 -0.077 0.000 1.154 64 Y CA 1.626 59.647 58.100 -0.132 0.000 1.149 64 Y CB -0.074 38.183 38.460 -0.339 0.000 0.976 64 Y HN -0.030 nan 8.280 nan 0.000 0.505 65 R N 0.011 120.604 120.500 0.154 0.000 2.115 65 R HA -0.133 4.207 4.340 -0.001 0.000 0.230 65 R C 1.711 178.000 176.300 -0.019 0.000 1.111 65 R CA 1.336 57.474 56.100 0.064 0.000 0.976 65 R CB -0.216 30.143 30.300 0.099 0.000 0.870 65 R HN 0.440 nan 8.270 nan 0.000 0.445 66 D N 0.050 120.454 120.400 0.006 0.000 2.123 66 D HA -0.102 4.538 4.640 -0.001 0.000 0.200 66 D C 1.942 178.225 176.300 -0.029 0.000 0.976 66 D CA 1.046 55.048 54.000 0.004 0.000 0.831 66 D CB -0.110 40.717 40.800 0.045 0.000 0.974 66 D HN -0.001 nan 8.370 nan 0.000 0.469 67 V N 1.442 121.319 119.914 -0.062 0.000 2.490 67 V HA -0.192 3.928 4.120 -0.001 0.000 0.250 67 V C 2.414 178.429 176.094 -0.132 0.000 1.061 67 V CA 0.837 63.084 62.300 -0.089 0.000 1.064 67 V CB -0.370 31.372 31.823 -0.135 0.000 0.670 67 V HN 0.118 nan 8.190 nan 0.000 0.461 68 L N 0.348 121.429 121.223 -0.237 0.000 2.017 68 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 68 L C 2.476 179.282 176.870 -0.107 0.000 1.073 68 L CA 1.943 56.648 54.840 -0.225 0.000 0.745 68 L CB -0.880 41.013 42.059 -0.277 0.000 0.894 68 L HN 0.158 nan 8.230 nan 0.000 0.432 69 K N 0.078 120.434 120.400 -0.073 0.000 2.044 69 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 69 K C 2.022 178.604 176.600 -0.029 0.000 1.049 69 K CA 1.980 58.244 56.287 -0.039 0.000 0.927 69 K CB -0.510 31.977 32.500 -0.022 0.000 0.713 69 K HN 0.523 nan 8.250 nan 0.000 0.443 70 E N 0.517 120.705 120.200 -0.020 0.000 2.058 70 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 70 E C 2.179 178.774 176.600 -0.008 0.000 0.997 70 E CA 1.558 57.956 56.400 -0.003 0.000 0.801 70 E CB -0.165 29.547 29.700 0.019 0.000 0.746 70 E HN 0.248 nan 8.360 nan 0.000 0.450 71 M N 0.570 120.162 119.600 -0.013 0.000 2.117 71 M HA -0.189 4.290 4.480 -0.001 0.000 0.262 71 M C 2.117 178.384 176.300 -0.055 0.000 1.065 71 M CA 1.357 56.637 55.300 -0.034 0.000 1.114 71 M CB -0.143 32.435 32.600 -0.037 0.000 1.361 71 M HN -0.044 nan 8.290 nan 0.000 0.408 72 K N 0.456 120.825 120.400 -0.053 0.000 2.032 72 K HA -0.112 4.207 4.320 -0.001 0.000 0.209 72 K C 2.175 178.755 176.600 -0.033 0.000 1.048 72 K CA 1.657 57.916 56.287 -0.047 0.000 0.927 72 K CB -0.646 31.830 32.500 -0.041 0.000 0.712 72 K HN 0.338 nan 8.250 nan 0.000 0.441 73 A N 2.222 125.026 122.820 -0.026 0.000 1.927 73 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 73 A C 2.075 179.645 177.584 -0.023 0.000 1.185 73 A CA 1.988 54.013 52.037 -0.019 0.000 0.639 73 A CB -0.425 18.567 19.000 -0.013 0.000 0.820 73 A HN 0.301 nan 8.150 nan 0.000 0.451 74 K N -0.707 119.674 120.400 -0.032 0.000 2.155 74 K HA 0.087 4.407 4.320 -0.001 0.000 0.203 74 K C 2.320 178.893 176.600 -0.045 0.000 1.052 74 K CA 0.781 57.044 56.287 -0.040 0.000 0.948 74 K CB -0.283 32.184 32.500 -0.055 0.000 0.728 74 K HN 0.452 nan 8.250 nan 0.000 0.448 75 A N 1.381 124.173 122.820 -0.047 0.000 1.892 75 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 75 A C 2.178 179.750 177.584 -0.021 0.000 1.188 75 A CA 2.067 54.081 52.037 -0.038 0.000 0.631 75 A CB -0.727 18.252 19.000 -0.035 0.000 0.822 75 A HN 0.198 nan 8.150 nan 0.000 0.447 76 S N -0.286 115.404 115.700 -0.018 0.000 2.392 76 S HA -0.225 4.245 4.470 -0.001 0.000 0.232 76 S C 2.126 176.720 174.600 -0.010 0.000 1.041 76 S CA 2.098 60.292 58.200 -0.010 0.000 1.026 76 S CB -0.858 62.336 63.200 -0.009 0.000 0.845 76 S HN 0.944 nan 8.310 nan 0.000 0.465 77 T N -0.130 114.414 114.554 -0.017 0.000 2.962 77 T HA 0.056 4.405 4.350 -0.001 0.000 0.270 77 T C 0.723 175.412 174.700 -0.017 0.000 1.088 77 T CA 0.267 62.357 62.100 -0.017 0.000 1.127 77 T CB -0.553 68.302 68.868 -0.022 0.000 0.883 77 T HN 0.102 nan 8.240 nan 0.000 0.493 78 V N 1.892 121.795 119.914 -0.019 0.000 2.686 78 V HA 0.365 4.484 4.120 -0.001 0.000 0.295 78 V C 0.147 176.237 176.094 -0.007 0.000 1.055 78 V CA -0.580 61.709 62.300 -0.019 0.000 1.050 78 V CB 1.070 32.878 31.823 -0.025 0.000 0.984 78 V HN 0.471 nan 8.190 nan 0.000 0.482 79 K N 3.433 123.829 120.400 -0.007 0.000 2.616 79 K HA 0.684 5.003 4.320 -0.001 0.000 0.241 79 K C -0.655 175.946 176.600 0.002 0.000 0.961 79 K CA -0.356 55.931 56.287 0.001 0.000 0.942 79 K CB 1.191 33.691 32.500 0.001 0.000 1.153 79 K HN 0.834 nan 8.250 nan 0.000 0.452 80 A N 4.392 127.217 122.820 0.008 0.000 2.290 80 A HA 0.401 4.721 4.320 -0.001 0.000 0.310 80 A C -0.665 176.932 177.584 0.022 0.000 1.202 80 A CA -0.778 51.264 52.037 0.009 0.000 0.837 80 A CB 0.402 19.404 19.000 0.005 0.000 1.139 80 A HN 0.830 nan 8.150 nan 0.000 0.509 81 K N 1.685 122.100 120.400 0.025 0.000 2.144 81 K HA 0.589 4.909 4.320 -0.001 0.000 0.270 81 K C -0.730 175.895 176.600 0.042 0.000 1.005 81 K CA -0.680 55.625 56.287 0.029 0.000 0.932 81 K CB 1.011 33.525 32.500 0.024 0.000 1.021 81 K HN 0.386 nan 8.250 nan 0.000 0.462 82 L N 3.426 124.671 121.223 0.036 0.000 2.265 82 L HA 0.249 4.588 4.340 -0.001 0.000 0.288 82 L C -0.984 175.879 176.870 -0.013 0.000 1.058 82 L CA -0.620 54.242 54.840 0.035 0.000 0.809 82 L CB 0.609 42.696 42.059 0.046 0.000 1.179 82 L HN 0.628 nan 8.230 nan 0.000 0.429 83 L N 4.028 125.238 121.223 -0.022 0.000 2.439 83 L HA 0.350 4.690 4.340 -0.001 0.000 0.269 83 L C 0.604 177.389 176.870 -0.142 0.000 1.179 83 L CA 0.578 55.382 54.840 -0.059 0.000 0.828 83 L CB 1.135 43.171 42.059 -0.039 0.000 1.106 83 L HN 0.892 nan 8.230 nan 0.000 0.467 84 S N 2.732 118.354 115.700 -0.129 0.000 2.603 84 S HA 0.286 4.756 4.470 -0.001 0.000 0.268 84 S C 1.472 175.964 174.600 -0.180 0.000 1.317 84 S CA -0.619 57.486 58.200 -0.158 0.000 1.012 84 S CB 0.453 63.585 63.200 -0.113 0.000 0.926 84 S HN 0.512 nan 8.310 nan 0.000 0.539 85 I N 0.765 121.215 120.570 -0.200 0.000 2.208 85 I HA -0.195 3.975 4.170 -0.001 0.000 0.245 85 I C 2.915 178.952 176.117 -0.132 0.000 1.097 85 I CA 1.713 62.904 61.300 -0.180 0.000 1.363 85 I CB -0.408 37.492 38.000 -0.167 0.000 1.051 85 I HN 0.848 nan 8.210 nan 0.000 0.413 86 E N 0.995 121.126 120.200 -0.115 0.000 2.038 86 E HA -0.264 4.085 4.350 -0.001 0.000 0.195 86 E C 2.042 178.582 176.600 -0.100 0.000 1.000 86 E CA 1.667 58.011 56.400 -0.095 0.000 0.803 86 E CB 0.003 29.655 29.700 -0.080 0.000 0.750 86 E HN 0.527 nan 8.360 nan 0.000 0.448 87 E N 0.062 120.197 120.200 -0.108 0.000 2.058 87 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 87 E C 2.013 178.516 176.600 -0.161 0.000 0.997 87 E CA 1.104 57.431 56.400 -0.123 0.000 0.801 87 E CB -0.168 29.465 29.700 -0.112 0.000 0.746 87 E HN 0.278 nan 8.360 nan 0.000 0.450 88 A N 0.636 123.362 122.820 -0.157 0.000 1.933 88 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 88 A C 2.399 179.902 177.584 -0.134 0.000 1.175 88 A CA 1.112 53.052 52.037 -0.162 0.000 0.628 88 A CB -0.813 18.114 19.000 -0.122 0.000 0.814 88 A HN 0.363 nan 8.150 nan 0.000 0.444 89 C N -0.682 118.553 119.300 -0.109 0.000 2.432 89 C HA -0.072 4.387 4.460 -0.001 0.000 0.277 89 C C 2.643 177.578 174.990 -0.091 0.000 1.249 89 C CA 1.407 60.373 59.018 -0.086 0.000 1.725 89 C CB -0.917 26.775 27.740 -0.079 0.000 2.028 89 C HN 0.702 nan 8.230 nan 0.000 0.477 90 K N 0.341 120.685 120.400 -0.093 0.000 2.442 90 K HA -0.059 4.261 4.320 -0.001 0.000 0.198 90 K C 1.569 178.135 176.600 -0.057 0.000 1.044 90 K CA 0.933 57.179 56.287 -0.069 0.000 0.948 90 K CB -0.116 32.346 32.500 -0.064 0.000 0.762 90 K HN 0.517 nan 8.250 nan 0.000 0.472 91 L N 0.471 121.622 121.223 -0.119 0.000 2.446 91 L HA 0.015 4.355 4.340 -0.001 0.000 0.219 91 L C 0.417 177.230 176.870 -0.095 0.000 1.116 91 L CA 0.151 54.902 54.840 -0.147 0.000 0.844 91 L CB 0.116 41.981 42.059 -0.322 0.000 0.970 91 L HN 0.001 nan 8.230 nan 0.000 0.457 92 T N 2.089 116.583 114.554 -0.101 0.000 2.799 92 T HA 0.142 4.492 4.350 -0.001 0.000 0.296 92 T C -2.285 172.288 174.700 -0.212 0.000 0.947 92 T CA -0.972 61.057 62.100 -0.118 0.000 1.141 92 T CB 0.700 69.509 68.868 -0.097 0.000 0.891 92 T HN -0.102 nan 8.240 nan 0.000 0.533 93 P HA 0.105 nan 4.420 nan 0.000 0.266 93 P C -1.863 175.131 177.300 -0.510 0.000 1.195 93 P CA -1.287 61.552 63.100 -0.435 0.000 0.768 93 P CB 0.175 31.751 31.700 -0.206 0.000 0.838 94 P HA -0.164 nan 4.420 nan 0.000 0.217 94 P C 0.291 177.252 177.300 -0.564 0.000 1.148 94 P CA 1.675 64.362 63.100 -0.687 0.000 0.828 94 P CB -0.192 30.973 31.700 -0.892 0.000 0.783 95 H N -2.431 116.511 119.070 -0.213 0.000 2.487 95 H HA 0.282 4.838 4.556 -0.001 0.000 0.290 95 H C 0.578 175.827 175.328 -0.132 0.000 1.081 95 H CA -0.500 55.462 56.048 -0.144 0.000 1.116 95 H CB 0.031 29.720 29.762 -0.120 0.000 1.560 95 H HN -0.005 nan 8.280 nan 0.000 0.548 96 S N 1.277 116.927 115.700 -0.083 0.000 2.573 96 S HA 0.303 4.772 4.470 -0.001 0.000 0.277 96 S C 0.758 175.316 174.600 -0.070 0.000 1.346 96 S CA -0.530 57.614 58.200 -0.093 0.000 1.034 96 S CB 0.256 63.394 63.200 -0.103 0.000 0.879 96 S HN 0.519 nan 8.310 nan 0.000 0.528 97 A N 3.999 126.761 122.820 -0.097 0.000 2.540 97 A HA 0.263 4.583 4.320 -0.001 0.000 0.239 97 A C 0.487 178.051 177.584 -0.034 0.000 1.061 97 A CA -0.146 51.858 52.037 -0.054 0.000 0.758 97 A CB -0.204 18.768 19.000 -0.046 0.000 0.991 97 A HN 0.850 nan 8.150 nan 0.000 0.502 98 K N 2.056 122.429 120.400 -0.045 0.000 2.219 98 K HA 0.397 4.717 4.320 -0.001 0.000 0.258 98 K C 0.361 176.870 176.600 -0.151 0.000 1.008 98 K CA 0.043 56.267 56.287 -0.105 0.000 0.928 98 K CB 0.568 33.008 32.500 -0.101 0.000 0.983 98 K HN 0.495 nan 8.250 nan 0.000 0.484 99 S N 0.138 115.639 115.700 -0.331 0.000 2.603 99 S HA 0.057 4.526 4.470 -0.001 0.000 0.268 99 S C 0.507 174.892 174.600 -0.358 0.000 1.317 99 S CA -0.734 57.256 58.200 -0.350 0.000 1.012 99 S CB 0.546 63.332 63.200 -0.691 0.000 0.926 99 S HN 0.784 nan 8.310 nan 0.000 0.539 100 K N 1.601 121.737 120.400 -0.439 0.000 2.551 100 K HA 0.150 4.470 4.320 -0.001 0.000 0.204 100 K C -0.670 175.455 176.600 -0.792 0.000 1.033 100 K CA 0.239 56.185 56.287 -0.568 0.000 1.187 100 K CB -0.337 31.804 32.500 -0.598 0.000 0.900 100 K HN 0.523 nan 8.250 nan 0.000 0.499 101 F N 1.115 120.963 119.950 -0.170 0.000 2.855 101 F HA 0.336 4.862 4.527 -0.001 0.000 0.317 101 F C 0.895 176.654 175.800 -0.068 0.000 1.169 101 F CA -0.659 57.306 58.000 -0.059 0.000 1.299 101 F CB 1.023 40.075 39.000 0.088 0.000 0.962 101 F HN 0.301 nan 8.300 nan 0.000 0.506 102 G N 1.192 109.985 108.800 -0.013 0.000 2.256 102 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.272 102 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.272 102 G C -0.528 174.459 174.900 0.145 0.000 1.076 102 G CA 0.333 45.462 45.100 0.050 0.000 0.882 102 G HN 0.720 nan 8.290 nan 0.000 0.497 103 Y N -3.385 116.880 120.300 -0.059 0.000 2.638 103 Y HA 0.629 5.179 4.550 -0.001 0.000 0.334 103 Y C 0.162 176.044 175.900 -0.031 0.000 1.182 103 Y CA -0.891 57.176 58.100 -0.054 0.000 1.102 103 Y CB 0.276 38.683 38.460 -0.088 0.000 1.343 103 Y HN 0.874 nan 8.280 nan 0.000 0.463 104 G N 0.358 109.214 108.800 0.094 0.000 3.140 104 G HA2 0.588 4.547 3.960 -0.001 0.000 0.271 104 G HA3 0.588 4.547 3.960 -0.001 0.000 0.271 104 G C 0.390 175.327 174.900 0.061 0.000 1.370 104 G CA -0.752 44.353 45.100 0.009 0.000 1.014 104 G HN 1.340 nan 8.290 nan 0.000 0.541 105 A N -0.244 122.574 122.820 -0.003 0.000 1.903 105 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 105 A C 2.224 179.776 177.584 -0.052 0.000 1.191 105 A CA 2.647 54.662 52.037 -0.037 0.000 0.638 105 A CB -0.543 18.401 19.000 -0.092 0.000 0.823 105 A HN 0.538 nan 8.150 nan 0.000 0.451 106 K N -0.015 120.354 120.400 -0.050 0.000 2.063 106 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 106 K C 1.587 178.170 176.600 -0.028 0.000 1.048 106 K CA 1.857 58.108 56.287 -0.060 0.000 0.928 106 K CB -0.257 32.219 32.500 -0.040 0.000 0.713 106 K HN 0.554 nan 8.250 nan 0.000 0.442 107 D N -0.400 120.010 120.400 0.017 0.000 2.117 107 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 107 D C 1.919 178.221 176.300 0.004 0.000 0.987 107 D CA 1.147 55.162 54.000 0.026 0.000 0.829 107 D CB -0.156 40.696 40.800 0.086 0.000 0.961 107 D HN 0.017 nan 8.370 nan 0.000 0.460 108 V N 1.500 121.438 119.914 0.040 0.000 2.295 108 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 108 V C 2.441 178.512 176.094 -0.038 0.000 1.049 108 V CA 1.577 63.884 62.300 0.011 0.000 1.024 108 V CB -0.403 31.459 31.823 0.064 0.000 0.648 108 V HN 0.130 nan 8.190 nan 0.000 0.447 109 R N 0.393 120.860 120.500 -0.056 0.000 2.193 109 R HA -0.107 4.233 4.340 -0.001 0.000 0.229 109 R C 1.767 178.028 176.300 -0.066 0.000 1.110 109 R CA 1.135 57.188 56.100 -0.079 0.000 0.988 109 R CB -0.378 29.850 30.300 -0.121 0.000 0.871 109 R HN 0.469 nan 8.270 nan 0.000 0.458 110 N N 1.142 119.809 118.700 -0.055 0.000 2.276 110 N HA 0.030 4.770 4.740 -0.001 0.000 0.212 110 N C -0.088 175.393 175.510 -0.049 0.000 1.127 110 N CA -0.016 53.006 53.050 -0.048 0.000 0.834 110 N CB 0.370 38.834 38.487 -0.040 0.000 1.014 110 N HN 0.138 nan 8.380 nan 0.000 0.491 111 L N 1.058 122.247 121.223 -0.058 0.000 3.905 111 L HA -0.273 4.067 4.340 -0.001 0.000 0.437 111 L C 0.452 177.283 176.870 -0.066 0.000 1.152 111 L CA 0.301 55.102 54.840 -0.065 0.000 0.935 111 L CB -2.526 39.498 42.059 -0.059 0.000 1.841 111 L HN 0.238 nan 8.230 nan 0.000 0.998 112 S N -1.552 114.108 115.700 -0.067 0.000 2.563 112 S HA 0.131 4.601 4.470 -0.001 0.000 0.284 112 S C 1.362 175.912 174.600 -0.084 0.000 1.331 112 S CA 0.283 58.445 58.200 -0.063 0.000 1.047 112 S CB 1.860 65.027 63.200 -0.054 0.000 0.859 112 S HN 0.353 nan 8.310 nan 0.000 0.514 113 S N 2.344 118.008 115.700 -0.061 0.000 2.351 113 S HA -0.223 4.247 4.470 -0.001 0.000 0.220 113 S C 2.071 176.631 174.600 -0.066 0.000 1.035 113 S CA 1.695 59.862 58.200 -0.055 0.000 1.031 113 S CB -0.750 62.432 63.200 -0.030 0.000 0.928 113 S HN 0.854 nan 8.310 nan 0.000 0.433 114 R N 0.652 121.115 120.500 -0.060 0.000 2.094 114 R HA -0.127 4.212 4.340 -0.001 0.000 0.239 114 R C 2.422 178.582 176.300 -0.233 0.000 1.137 114 R CA 1.742 57.814 56.100 -0.046 0.000 0.943 114 R CB -0.935 29.343 30.300 -0.035 0.000 0.850 114 R HN 0.472 nan 8.270 nan 0.000 0.433 115 A N 0.316 122.827 122.820 -0.515 0.000 1.873 115 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 115 A C 2.347 179.637 177.584 -0.490 0.000 1.193 115 A CA 2.015 53.440 52.037 -1.021 0.000 0.629 115 A CB -0.901 17.709 19.000 -0.651 0.000 0.826 115 A HN 0.264 nan 8.150 nan 0.000 0.447 116 V N 1.204 120.971 119.914 -0.245 0.000 2.324 116 V HA -0.327 3.792 4.120 -0.001 0.000 0.250 116 V C 2.355 178.396 176.094 -0.088 0.000 1.060 116 V CA 2.228 64.446 62.300 -0.138 0.000 1.042 116 V CB -1.069 30.692 31.823 -0.103 0.000 0.650 116 V HN 0.582 nan 8.190 nan 0.000 0.450 117 N N -0.262 118.403 118.700 -0.057 0.000 2.069 117 N HA -0.188 4.551 4.740 -0.001 0.000 0.191 117 N C 1.771 177.251 175.510 -0.050 0.000 1.031 117 N CA 1.935 54.961 53.050 -0.041 0.000 0.852 117 N CB -0.483 37.985 38.487 -0.032 0.000 1.018 117 N HN 0.604 nan 8.380 nan 0.000 0.423 118 H N 1.040 120.024 119.070 -0.144 0.000 2.353 118 H HA 0.081 4.637 4.556 -0.001 0.000 0.300 118 H C 2.239 177.538 175.328 -0.049 0.000 1.090 118 H CA 0.833 56.823 56.048 -0.095 0.000 1.327 118 H CB -0.366 29.381 29.762 -0.025 0.000 1.383 118 H HN 0.175 nan 8.280 nan 0.000 0.508 119 I N 0.360 120.974 120.570 0.072 0.000 2.118 119 I HA -0.329 3.841 4.170 -0.001 0.000 0.241 119 I C 2.427 178.596 176.117 0.087 0.000 1.070 119 I CA 1.248 62.596 61.300 0.080 0.000 1.327 119 I CB -0.217 37.793 38.000 0.018 0.000 1.034 119 I HN 0.234 nan 8.210 nan 0.000 0.405 120 R N 0.896 121.413 120.500 0.028 0.000 2.113 120 R HA -0.200 4.140 4.340 -0.001 0.000 0.244 120 R C 2.496 178.853 176.300 0.096 0.000 1.142 120 R CA 2.153 58.281 56.100 0.046 0.000 0.953 120 R CB -1.142 29.153 30.300 -0.009 0.000 0.860 120 R HN 0.552 nan 8.270 nan 0.000 0.438 121 S N 0.279 115.991 115.700 0.021 0.000 2.371 121 S HA -0.051 4.419 4.470 -0.001 0.000 0.224 121 S C 2.273 176.880 174.600 0.012 0.000 1.029 121 S CA 1.024 59.217 58.200 -0.011 0.000 0.978 121 S CB -0.650 62.486 63.200 -0.107 0.000 0.833 121 S HN 0.041 nan 8.310 nan 0.000 0.466 122 V N 1.118 121.051 119.914 0.032 0.000 2.332 122 V HA -0.158 3.962 4.120 -0.001 0.000 0.248 122 V C 2.209 178.357 176.094 0.090 0.000 1.055 122 V CA 1.941 64.264 62.300 0.039 0.000 1.038 122 V CB -0.885 30.985 31.823 0.079 0.000 0.651 122 V HN 0.725 nan 8.190 nan 0.000 0.450 123 W N 0.896 122.178 121.300 -0.031 0.000 2.379 123 W HA -0.183 4.476 4.660 -0.000 0.000 0.307 123 W C 2.392 178.893 176.519 -0.030 0.000 1.200 123 W CA 1.935 59.265 57.345 -0.024 0.000 1.297 123 W CB -0.089 29.360 29.460 -0.019 0.000 1.140 123 W HN 0.306 nan 8.180 nan 0.000 0.507 124 E N 1.029 121.302 120.200 0.121 0.000 2.265 124 E HA -0.240 4.110 4.350 -0.001 0.000 0.196 124 E C 1.479 178.026 176.600 -0.088 0.000 0.996 124 E CA 1.959 58.364 56.400 0.008 0.000 0.832 124 E CB -0.602 29.129 29.700 0.052 0.000 0.756 124 E HN 0.374 nan 8.360 nan 0.000 0.491 125 D N -1.179 119.169 120.400 -0.086 0.000 2.213 125 D HA -0.028 4.612 4.640 -0.001 0.000 0.205 125 D C 1.804 178.014 176.300 -0.150 0.000 0.961 125 D CA 0.588 54.529 54.000 -0.098 0.000 0.853 125 D CB 0.035 40.790 40.800 -0.075 0.000 0.967 125 D HN 0.224 nan 8.370 nan 0.000 0.496 126 L N 0.116 121.202 121.223 -0.227 0.000 2.201 126 L HA -0.058 4.282 4.340 -0.001 0.000 0.212 126 L C 2.128 178.805 176.870 -0.322 0.000 1.105 126 L CA 0.542 55.205 54.840 -0.295 0.000 0.775 126 L CB -0.157 41.648 42.059 -0.423 0.000 0.913 126 L HN 0.240 nan 8.230 nan 0.000 0.440 127 L N -1.137 119.873 121.223 -0.355 0.000 2.270 127 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 127 L C 2.038 178.814 176.870 -0.156 0.000 1.104 127 L CA 0.878 55.554 54.840 -0.273 0.000 0.804 127 L CB -0.151 41.751 42.059 -0.262 0.000 0.937 127 L HN 0.255 nan 8.230 nan 0.000 0.450 128 E N -1.123 118.999 120.200 -0.130 0.000 2.251 128 E HA -0.027 4.323 4.350 -0.001 0.000 0.194 128 E C 0.299 176.853 176.600 -0.076 0.000 0.964 128 E CA 0.016 56.364 56.400 -0.086 0.000 0.868 128 E CB 0.557 30.218 29.700 -0.066 0.000 0.828 128 E HN 0.119 nan 8.360 nan 0.000 0.481 129 D N 0.590 120.938 120.400 -0.087 0.000 2.373 129 D HA 0.032 4.672 4.640 -0.001 0.000 0.227 129 D C 0.274 176.525 176.300 -0.081 0.000 1.091 129 D CA 0.064 54.021 54.000 -0.071 0.000 0.840 129 D CB 1.362 42.124 40.800 -0.064 0.000 1.060 129 D HN 0.041 nan 8.370 nan 0.000 0.502 130 T N 0.042 114.557 114.554 -0.066 0.000 3.069 130 T HA 0.228 4.578 4.350 -0.001 0.000 0.252 130 T C 0.934 175.604 174.700 -0.051 0.000 1.053 130 T CA 0.098 62.159 62.100 -0.065 0.000 0.964 130 T CB 0.508 69.343 68.868 -0.054 0.000 1.005 130 T HN 0.348 nan 8.240 nan 0.000 0.532 131 E N 1.100 121.273 120.200 -0.044 0.000 2.756 131 E HA 0.130 4.479 4.350 -0.001 0.000 0.192 131 E C -0.203 176.382 176.600 -0.025 0.000 1.022 131 E CA -0.040 56.342 56.400 -0.031 0.000 1.224 131 E CB 0.103 29.790 29.700 -0.022 0.000 1.252 131 E HN 0.285 nan 8.360 nan 0.000 0.494 132 T N 5.130 119.671 114.554 -0.023 0.000 2.591 132 T HA -0.045 4.304 4.350 -0.001 0.000 0.245 132 T C -2.472 172.220 174.700 -0.013 0.000 1.031 132 T CA -0.418 61.675 62.100 -0.012 0.000 1.187 132 T CB -0.174 68.685 68.868 -0.014 0.000 1.014 132 T HN -0.066 nan 8.240 nan 0.000 0.488 133 P HA 0.157 nan 4.420 nan 0.000 0.266 133 P C -0.098 177.190 177.300 -0.019 0.000 1.193 133 P CA -0.049 63.053 63.100 0.003 0.000 0.770 133 P CB 0.412 32.149 31.700 0.061 0.000 0.836 134 I N 2.093 122.634 120.570 -0.047 0.000 2.359 134 I HA 0.174 4.344 4.170 -0.001 0.000 0.294 134 I C 0.698 176.789 176.117 -0.043 0.000 0.987 134 I CA -0.612 60.665 61.300 -0.039 0.000 1.225 134 I CB 1.147 39.114 38.000 -0.055 0.000 1.366 134 I HN 0.321 nan 8.210 nan 0.000 0.466 135 D N 4.600 124.990 120.400 -0.016 0.000 2.443 135 D HA 0.154 4.794 4.640 -0.001 0.000 0.239 135 D C -0.314 175.953 176.300 -0.055 0.000 1.136 135 D CA 0.442 54.423 54.000 -0.031 0.000 0.879 135 D CB 0.774 41.574 40.800 -0.000 0.000 1.195 135 D HN 0.610 nan 8.370 nan 0.000 0.443 136 T N -0.349 114.145 114.554 -0.100 0.000 2.909 136 T HA 0.573 4.922 4.350 -0.001 0.000 0.299 136 T C -0.325 174.236 174.700 -0.232 0.000 1.073 136 T CA -0.983 61.022 62.100 -0.158 0.000 0.999 136 T CB 1.619 70.413 68.868 -0.123 0.000 1.098 136 T HN 0.216 nan 8.240 nan 0.000 0.477 137 T N 2.529 116.808 114.554 -0.458 0.000 2.902 137 T HA 0.625 4.975 4.350 -0.001 0.000 0.283 137 T C -0.442 173.993 174.700 -0.442 0.000 1.009 137 T CA -0.655 61.160 62.100 -0.475 0.000 1.051 137 T CB 0.829 69.294 68.868 -0.673 0.000 0.999 137 T HN 0.749 nan 8.240 nan 0.000 0.474 138 I N 3.537 124.003 120.570 -0.173 0.000 2.436 138 I HA 0.541 4.710 4.170 -0.001 0.000 0.289 138 I C -1.185 174.954 176.117 0.037 0.000 1.010 138 I CA -0.840 60.447 61.300 -0.021 0.000 1.098 138 I CB 0.878 38.928 38.000 0.084 0.000 1.266 138 I HN 0.410 nan 8.210 nan 0.000 0.434 139 M N 5.999 125.669 119.600 0.117 0.000 2.619 139 M HA 0.524 5.004 4.480 -0.001 0.000 0.297 139 M C -0.556 175.813 176.300 0.114 0.000 1.229 139 M CA -0.630 54.751 55.300 0.134 0.000 0.860 139 M CB 1.857 34.593 32.600 0.226 0.000 1.741 139 M HN 0.604 nan 8.290 nan 0.000 0.462 140 A N 1.881 124.749 122.820 0.081 0.000 2.320 140 A HA 0.453 4.773 4.320 -0.001 0.000 0.287 140 A C -0.065 177.564 177.584 0.075 0.000 1.181 140 A CA -0.403 51.671 52.037 0.063 0.000 0.831 140 A CB 0.318 19.341 19.000 0.040 0.000 1.102 140 A HN 0.773 nan 8.150 nan 0.000 0.513 141 K N 1.462 121.908 120.400 0.077 0.000 2.185 141 K HA 0.330 4.650 4.320 -0.001 0.000 0.271 141 K C -0.159 176.467 176.600 0.042 0.000 1.013 141 K CA -0.049 56.278 56.287 0.066 0.000 0.943 141 K CB 0.671 33.217 32.500 0.078 0.000 0.998 141 K HN 0.572 nan 8.250 nan 0.000 0.468 142 S N 3.176 118.880 115.700 0.007 0.000 2.474 142 S HA 0.212 4.682 4.470 -0.001 0.000 0.320 142 S C -1.361 173.162 174.600 -0.129 0.000 1.067 142 S CA -0.663 57.511 58.200 -0.043 0.000 1.127 142 S CB 0.233 63.411 63.200 -0.037 0.000 0.971 142 S HN 0.570 nan 8.310 nan 0.000 0.472 143 E N 2.555 122.664 120.200 -0.151 0.000 2.266 143 E HA 0.468 4.818 4.350 -0.001 0.000 0.268 143 E C -1.032 175.238 176.600 -0.551 0.000 0.879 143 E CA -0.960 55.247 56.400 -0.321 0.000 0.762 143 E CB 2.115 31.700 29.700 -0.192 0.000 1.199 143 E HN 0.339 nan 8.360 nan 0.000 0.422 144 V N 3.157 122.581 119.914 -0.816 0.000 2.686 144 V HA 0.459 4.578 4.120 -0.001 0.000 0.295 144 V C -0.660 174.754 176.094 -1.133 0.000 1.057 144 V CA 0.094 61.873 62.300 -0.870 0.000 1.012 144 V CB 0.250 31.628 31.823 -0.742 0.000 1.006 144 V HN 0.530 nan 8.190 nan 0.000 0.477 145 F N 1.498 121.063 119.950 -0.643 0.000 2.745 145 F HA 0.545 5.072 4.527 -0.001 0.000 0.316 145 F C -0.189 175.345 175.800 -0.444 0.000 1.155 145 F CA -0.718 56.963 58.000 -0.532 0.000 0.937 145 F CB 1.247 39.894 39.000 -0.589 0.000 1.361 145 F HN 0.550 nan 8.300 nan 0.000 0.472 146 C N 2.950 122.318 119.300 0.113 0.000 2.355 146 C HA 0.823 5.283 4.460 -0.001 0.000 0.332 146 C C 0.156 175.362 174.990 0.359 0.000 1.255 146 C CA -0.615 58.519 59.018 0.193 0.000 1.792 146 C CB -0.042 27.772 27.740 0.123 0.000 2.300 146 C HN 0.777 nan 8.230 nan 0.000 0.515 147 V N 5.148 125.305 119.914 0.406 0.000 3.524 147 V HA 0.288 4.408 4.120 -0.001 0.000 0.303 147 V C -0.165 176.018 176.094 0.149 0.000 1.130 147 V CA 0.299 62.764 62.300 0.274 0.000 1.225 147 V CB 0.016 31.915 31.823 0.127 0.000 1.056 147 V HN 0.984 nan 8.190 nan 0.000 0.495 148 Q N 0.809 120.652 119.800 0.073 0.000 2.495 148 Q HA 0.669 5.009 4.340 -0.001 0.000 0.283 148 Q C -2.258 173.750 176.000 0.012 0.000 1.097 148 Q CA -1.575 54.251 55.803 0.038 0.000 0.836 148 Q CB 0.862 29.612 28.738 0.020 0.000 1.426 148 Q HN 0.822 nan 8.270 nan 0.000 0.459 155 K N 2.543 122.957 120.400 0.024 0.000 2.130 155 K HA 0.414 4.734 4.320 -0.001 0.000 0.268 155 K C -2.125 174.492 176.600 0.028 0.000 0.983 155 K CA -1.672 54.593 56.287 -0.037 0.000 0.893 155 K CB 1.109 33.474 32.500 -0.225 0.000 1.066 155 K HN 0.292 nan 8.250 nan 0.000 0.450 156 P HA 0.103 nan 4.420 nan 0.000 0.277 156 P C -0.856 176.472 177.300 0.048 0.000 1.240 156 P CA -0.494 62.617 63.100 0.018 0.000 0.798 156 P CB 0.994 32.689 31.700 -0.008 0.000 0.979 157 A N 3.760 126.617 122.820 0.061 0.000 2.520 157 A HA 0.089 4.408 4.320 -0.001 0.000 0.235 157 A C 0.682 178.305 177.584 0.065 0.000 1.065 157 A CA 0.008 52.093 52.037 0.080 0.000 0.764 157 A CB -0.214 18.825 19.000 0.065 0.000 1.002 157 A HN 0.488 nan 8.150 nan 0.000 0.502 158 R N 0.373 120.928 120.500 0.092 0.000 2.531 158 R HA 0.380 4.719 4.340 -0.001 0.000 0.273 158 R C -1.059 175.293 176.300 0.087 0.000 1.070 158 R CA -0.735 55.421 56.100 0.093 0.000 1.112 158 R CB 0.504 30.877 30.300 0.121 0.000 1.049 158 R HN 0.481 nan 8.270 nan 0.000 0.508 159 L N 4.245 125.521 121.223 0.088 0.000 2.272 159 L HA 0.447 4.787 4.340 -0.001 0.000 0.289 159 L C 0.285 177.244 176.870 0.149 0.000 1.032 159 L CA -0.382 54.515 54.840 0.096 0.000 0.810 159 L CB 0.901 42.994 42.059 0.056 0.000 1.205 159 L HN 0.521 nan 8.230 nan 0.000 0.422 160 I N 1.050 121.726 120.570 0.176 0.000 2.437 160 I HA 0.789 4.958 4.170 -0.001 0.000 0.298 160 I C -0.581 175.709 176.117 0.289 0.000 0.984 160 I CA -0.809 60.635 61.300 0.240 0.000 1.214 160 I CB 1.921 40.070 38.000 0.249 0.000 1.365 160 I HN 0.166 nan 8.210 nan 0.000 0.469 161 V N 6.642 126.739 119.914 0.304 0.000 2.525 161 V HA 0.591 4.711 4.120 -0.001 0.000 0.299 161 V C -0.698 175.566 176.094 0.283 0.000 1.034 161 V CA -0.352 62.068 62.300 0.200 0.000 0.863 161 V CB 1.326 33.245 31.823 0.160 0.000 0.999 161 V HN 0.752 nan 8.190 nan 0.000 0.423 162 F N 4.707 124.703 119.950 0.076 0.000 2.631 162 F HA 0.949 5.475 4.527 -0.001 0.000 0.308 162 F C -3.056 172.780 175.800 0.059 0.000 1.097 162 F CA -2.648 55.396 58.000 0.073 0.000 0.952 162 F CB 1.608 40.648 39.000 0.066 0.000 1.307 162 F HN 0.301 nan 8.300 nan 0.000 0.450 163 P HA 0.196 nan 4.420 nan 0.000 0.284 163 P C -1.163 176.248 177.300 0.185 0.000 1.292 163 P CA -0.173 62.984 63.100 0.096 0.000 0.800 163 P CB 1.240 33.004 31.700 0.107 0.000 1.188 164 D N -0.961 119.528 120.400 0.149 0.000 2.399 164 D HA -0.021 4.619 4.640 -0.001 0.000 0.241 164 D C 1.357 177.768 176.300 0.185 0.000 1.133 164 D CA -0.342 53.766 54.000 0.179 0.000 0.890 164 D CB 0.275 41.218 40.800 0.239 0.000 1.201 164 D HN 0.099 nan 8.370 nan 0.000 0.432 165 L N 3.697 125.006 121.223 0.142 0.000 2.089 165 L HA -0.052 4.288 4.340 -0.001 0.000 0.213 165 L C 1.986 178.960 176.870 0.173 0.000 1.079 165 L CA 2.596 57.507 54.840 0.118 0.000 0.758 165 L CB -1.061 41.019 42.059 0.034 0.000 0.891 165 L HN 0.662 nan 8.230 nan 0.000 0.433 166 G N -1.139 107.797 108.800 0.227 0.000 2.446 166 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 166 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 166 G C 1.549 176.565 174.900 0.194 0.000 1.168 166 G CA 1.114 46.375 45.100 0.269 0.000 0.771 166 G HN 0.356 nan 8.290 nan 0.000 0.551 167 V N 0.776 120.791 119.914 0.170 0.000 2.343 167 V HA -0.165 3.955 4.120 -0.001 0.000 0.247 167 V C 2.969 179.156 176.094 0.154 0.000 1.051 167 V CA 1.976 64.362 62.300 0.143 0.000 1.036 167 V CB -0.443 31.446 31.823 0.111 0.000 0.654 167 V HN 0.346 nan 8.190 nan 0.000 0.451 168 R N -0.347 120.245 120.500 0.153 0.000 2.091 168 R HA -0.146 4.194 4.340 -0.001 0.000 0.238 168 R C 2.190 178.565 176.300 0.124 0.000 1.136 168 R CA 1.600 57.785 56.100 0.142 0.000 0.959 168 R CB -0.715 29.658 30.300 0.123 0.000 0.856 168 R HN 0.431 nan 8.270 nan 0.000 0.437 169 V N 0.541 120.524 119.914 0.115 0.000 2.407 169 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 169 V C 2.514 178.670 176.094 0.104 0.000 1.055 169 V CA 1.583 63.930 62.300 0.078 0.000 1.049 169 V CB -0.504 31.360 31.823 0.068 0.000 0.662 169 V HN 0.450 nan 8.190 nan 0.000 0.455 170 C N -0.214 119.198 119.300 0.187 0.000 2.440 170 C HA -0.119 4.340 4.460 -0.001 0.000 0.278 170 C C 2.651 177.851 174.990 0.350 0.000 1.295 170 C CA 0.689 59.915 59.018 0.347 0.000 1.738 170 C CB -0.958 27.060 27.740 0.463 0.000 1.987 170 C HN 0.616 nan 8.230 nan 0.000 0.492 171 E N 1.043 121.387 120.200 0.240 0.000 2.058 171 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 171 E C 2.162 178.892 176.600 0.216 0.000 0.997 171 E CA 1.267 57.806 56.400 0.232 0.000 0.801 171 E CB -0.156 29.679 29.700 0.225 0.000 0.746 171 E HN 0.619 nan 8.360 nan 0.000 0.450 172 K N 0.274 120.775 120.400 0.169 0.000 2.074 172 K HA -0.156 4.164 4.320 -0.001 0.000 0.209 172 K C 2.175 178.854 176.600 0.133 0.000 1.048 172 K CA 1.504 57.879 56.287 0.147 0.000 0.926 172 K CB -0.141 32.372 32.500 0.023 0.000 0.713 172 K HN 0.137 nan 8.250 nan 0.000 0.444 173 M N -0.125 119.520 119.600 0.075 0.000 2.159 173 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 173 M C 2.255 178.623 176.300 0.113 0.000 1.063 173 M CA 1.652 56.943 55.300 -0.015 0.000 1.110 173 M CB -0.134 32.288 32.600 -0.296 0.000 1.374 173 M HN 0.232 nan 8.290 nan 0.000 0.411 174 A N -1.051 121.939 122.820 0.283 0.000 2.095 174 A HA 0.181 4.501 4.320 -0.001 0.000 0.212 174 A C 1.710 179.387 177.584 0.155 0.000 1.162 174 A CA 0.686 52.907 52.037 0.307 0.000 0.753 174 A CB 0.060 19.297 19.000 0.396 0.000 0.840 174 A HN 0.477 nan 8.150 nan 0.000 0.468 175 L N -3.081 118.223 121.223 0.136 0.000 3.174 175 L HA 0.186 4.526 4.340 -0.001 0.000 0.283 175 L C 1.782 178.681 176.870 0.048 0.000 1.187 175 L CA 0.045 54.905 54.840 0.033 0.000 1.018 175 L CB 0.055 42.100 42.059 -0.024 0.000 1.433 175 L HN 0.423 nan 8.230 nan 0.000 0.593 176 Y N 1.610 121.928 120.300 0.029 0.000 2.114 176 Y HA -0.358 4.191 4.550 -0.000 0.000 0.282 176 Y C 2.129 178.060 175.900 0.052 0.000 1.165 176 Y CA 2.395 60.528 58.100 0.055 0.000 1.148 176 Y CB 0.047 38.527 38.460 0.034 0.000 0.972 176 Y HN 0.231 nan 8.280 nan 0.000 0.504 177 D N -0.899 119.512 120.400 0.018 0.000 2.117 177 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 177 D C 2.234 178.464 176.300 -0.117 0.000 0.982 177 D CA 1.497 55.459 54.000 -0.064 0.000 0.828 177 D CB -0.193 40.625 40.800 0.030 0.000 0.967 177 D HN 0.244 nan 8.370 nan 0.000 0.464 178 V N 0.491 120.347 119.914 -0.096 0.000 2.255 178 V HA -0.234 3.886 4.120 -0.001 0.000 0.247 178 V C 2.619 178.615 176.094 -0.163 0.000 1.051 178 V CA 1.844 64.070 62.300 -0.123 0.000 1.018 178 V CB -0.750 30.965 31.823 -0.181 0.000 0.641 178 V HN 0.350 nan 8.190 nan 0.000 0.445 179 V N -2.740 117.054 119.914 -0.199 0.000 3.141 179 V HA -0.034 4.086 4.120 -0.001 0.000 0.265 179 V C 1.930 177.872 176.094 -0.254 0.000 1.126 179 V CA 1.943 64.122 62.300 -0.201 0.000 1.141 179 V CB -0.139 31.585 31.823 -0.164 0.000 0.743 179 V HN 0.444 nan 8.190 nan 0.000 0.492 180 S N 0.150 115.688 115.700 -0.271 0.000 2.470 180 S HA 0.055 4.525 4.470 -0.001 0.000 0.222 180 S C 1.803 176.298 174.600 -0.176 0.000 1.024 180 S CA 1.247 59.298 58.200 -0.248 0.000 0.931 180 S CB 0.188 63.178 63.200 -0.349 0.000 0.791 180 S HN 0.757 nan 8.310 nan 0.000 0.513 181 T N 1.149 115.599 114.554 -0.172 0.000 2.964 181 T HA 0.309 4.658 4.350 -0.001 0.000 0.249 181 T C 1.533 176.129 174.700 -0.174 0.000 1.000 181 T CA -0.183 61.832 62.100 -0.143 0.000 0.992 181 T CB 0.073 68.884 68.868 -0.095 0.000 1.087 181 T HN 0.142 nan 8.240 nan 0.000 0.489 182 L N 1.779 122.899 121.223 -0.172 0.000 2.072 182 L HA 0.067 4.407 4.340 -0.001 0.000 0.205 182 L C -1.061 175.643 176.870 -0.276 0.000 1.079 182 L CA 1.204 55.948 54.840 -0.160 0.000 0.752 182 L CB -0.618 41.408 42.059 -0.055 0.000 0.906 182 L HN 0.092 nan 8.230 nan 0.000 0.436 183 P HA -0.251 nan 4.420 nan 0.000 0.215 183 P C 1.203 178.047 177.300 -0.760 0.000 1.157 183 P CA 1.438 64.106 63.100 -0.721 0.000 0.874 183 P CB 0.019 30.962 31.700 -1.262 0.000 0.790 184 Q N 0.376 119.760 119.800 -0.694 0.000 1.993 184 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 184 Q C 2.096 177.954 176.000 -0.237 0.000 0.984 184 Q CA 2.425 58.010 55.803 -0.363 0.000 0.837 184 Q CB -1.514 27.105 28.738 -0.199 0.000 0.902 184 Q HN 0.094 nan 8.270 nan 0.000 0.423 185 A N -0.367 122.333 122.820 -0.201 0.000 1.986 185 A HA -0.144 4.176 4.320 -0.001 0.000 0.220 185 A C 2.234 179.728 177.584 -0.150 0.000 1.171 185 A CA 1.855 53.808 52.037 -0.140 0.000 0.640 185 A CB -0.699 18.235 19.000 -0.111 0.000 0.811 185 A HN 0.308 nan 8.150 nan 0.000 0.451 186 V N -0.942 118.846 119.914 -0.209 0.000 2.331 186 V HA -0.129 3.991 4.120 -0.001 0.000 0.242 186 V C 2.409 178.329 176.094 -0.290 0.000 1.034 186 V CA 1.920 64.088 62.300 -0.220 0.000 1.027 186 V CB -0.539 31.138 31.823 -0.243 0.000 0.667 186 V HN 0.549 nan 8.190 nan 0.000 0.457 187 M N -0.408 118.946 119.600 -0.409 0.000 2.556 187 M HA 0.308 4.787 4.480 -0.001 0.000 0.245 187 M C 1.373 177.552 176.300 -0.202 0.000 1.128 187 M CA 0.819 55.810 55.300 -0.515 0.000 1.069 187 M CB -0.156 32.034 32.600 -0.684 0.000 1.469 187 M HN 0.535 nan 8.290 nan 0.000 0.494 188 G N 1.266 109.979 108.800 -0.146 0.000 2.574 188 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.282 188 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.282 188 G C 0.689 175.550 174.900 -0.066 0.000 1.257 188 G CA 0.511 45.566 45.100 -0.075 0.000 0.956 188 G HN 0.544 nan 8.290 nan 0.000 0.560 189 S N -0.739 114.931 115.700 -0.049 0.000 2.537 189 S HA 0.051 4.520 4.470 -0.001 0.000 0.240 189 S C 2.134 176.645 174.600 -0.149 0.000 0.981 189 S CA 1.977 60.107 58.200 -0.117 0.000 0.948 189 S CB -0.122 63.020 63.200 -0.097 0.000 0.759 189 S HN 1.087 nan 8.310 nan 0.000 0.531 190 S N 0.154 115.855 115.700 0.002 0.000 2.489 190 S HA 0.127 4.597 4.470 -0.001 0.000 0.228 190 S C 0.248 174.890 174.600 0.069 0.000 0.995 190 S CA -0.188 58.073 58.200 0.102 0.000 0.934 190 S CB -0.394 62.976 63.200 0.283 0.000 0.771 190 S HN 0.735 nan 8.310 nan 0.000 0.522 191 Y N 3.255 123.458 120.300 -0.163 0.000 2.674 191 Y HA 0.411 4.961 4.550 -0.000 0.000 0.354 191 Y C 1.317 177.055 175.900 -0.271 0.000 1.089 191 Y CA -1.258 56.721 58.100 -0.201 0.000 1.444 191 Y CB -0.228 38.100 38.460 -0.220 0.000 1.187 191 Y HN 0.080 nan 8.280 nan 0.000 0.523 192 G N 4.722 113.202 108.800 -0.534 0.000 2.469 192 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.219 192 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.219 192 G C 1.217 175.639 174.900 -0.796 0.000 1.150 192 G CA 0.560 45.322 45.100 -0.564 0.000 0.763 192 G HN 0.675 nan 8.290 nan 0.000 0.561 193 F N 1.773 121.063 119.950 -1.101 0.000 2.529 193 F HA -0.065 4.461 4.527 -0.001 0.000 0.297 193 F C 2.907 178.429 175.800 -0.464 0.000 1.114 193 F CA 1.262 58.695 58.000 -0.946 0.000 1.467 193 F CB -0.248 38.144 39.000 -1.014 0.000 1.096 193 F HN 0.434 nan 8.300 nan 0.000 0.586 194 Q N -0.953 118.588 119.800 -0.432 0.000 2.389 194 Q HA -0.082 4.258 4.340 -0.001 0.000 0.204 194 Q C -0.413 175.459 176.000 -0.213 0.000 0.944 194 Q CA 0.712 56.361 55.803 -0.257 0.000 0.908 194 Q CB -0.389 28.098 28.738 -0.418 0.000 1.002 194 Q HN 0.298 nan 8.270 nan 0.000 0.493 195 Y N 2.105 122.389 120.300 -0.027 0.000 2.323 195 Y HA 0.313 4.863 4.550 -0.001 0.000 0.331 195 Y C 0.566 176.350 175.900 -0.193 0.000 1.092 195 Y CA -1.218 56.832 58.100 -0.082 0.000 1.150 195 Y CB 1.339 39.718 38.460 -0.134 0.000 1.200 195 Y HN 0.077 nan 8.280 nan 0.000 0.472 196 S N 2.312 117.836 115.700 -0.292 0.000 2.652 196 S HA 0.325 4.794 4.470 -0.001 0.000 0.270 196 S C -2.072 172.221 174.600 -0.512 0.000 1.243 196 S CA -1.269 56.291 58.200 -1.066 0.000 0.999 196 S CB 1.611 64.258 63.200 -0.921 0.000 0.973 196 S HN 0.397 nan 8.310 nan 0.000 0.544 197 P HA -0.223 nan 4.420 nan 0.000 0.217 197 P C 1.479 178.694 177.300 -0.142 0.000 1.162 197 P CA 1.629 64.590 63.100 -0.232 0.000 0.901 197 P CB 0.028 31.628 31.700 -0.166 0.000 0.793 198 K N -0.209 120.085 120.400 -0.176 0.000 2.032 198 K HA -0.239 4.080 4.320 -0.001 0.000 0.209 198 K C 2.127 178.680 176.600 -0.077 0.000 1.048 198 K CA 1.742 57.984 56.287 -0.075 0.000 0.927 198 K CB -0.307 32.137 32.500 -0.094 0.000 0.712 198 K HN 0.182 nan 8.250 nan 0.000 0.441 199 Q N -0.211 119.528 119.800 -0.100 0.000 2.119 199 Q HA -0.142 4.197 4.340 -0.001 0.000 0.201 199 Q C 2.254 178.129 176.000 -0.208 0.000 0.972 199 Q CA 1.121 56.884 55.803 -0.066 0.000 0.847 199 Q CB -0.135 28.652 28.738 0.082 0.000 0.903 199 Q HN 0.290 nan 8.270 nan 0.000 0.433 200 R N 0.710 121.107 120.500 -0.171 0.000 2.075 200 R HA -0.105 4.235 4.340 -0.001 0.000 0.232 200 R C 2.020 178.230 176.300 -0.150 0.000 1.126 200 R CA 1.107 57.075 56.100 -0.220 0.000 0.963 200 R CB -0.012 30.247 30.300 -0.069 0.000 0.858 200 R HN 0.113 nan 8.270 nan 0.000 0.435 201 V N 1.372 121.225 119.914 -0.102 0.000 2.515 201 V HA -0.193 3.927 4.120 -0.001 0.000 0.250 201 V C 2.320 178.346 176.094 -0.112 0.000 1.058 201 V CA 2.049 64.296 62.300 -0.089 0.000 1.064 201 V CB -0.483 31.326 31.823 -0.023 0.000 0.675 201 V HN 0.483 nan 8.190 nan 0.000 0.461 202 E N 0.036 120.181 120.200 -0.092 0.000 2.051 202 E HA -0.270 4.079 4.350 -0.001 0.000 0.192 202 E C 2.123 178.667 176.600 -0.094 0.000 0.991 202 E CA 1.602 57.956 56.400 -0.076 0.000 0.799 202 E CB -0.239 29.436 29.700 -0.041 0.000 0.748 202 E HN 0.517 nan 8.360 nan 0.000 0.449 203 F N 1.219 120.982 119.950 -0.311 0.000 2.186 203 F HA -0.092 4.434 4.527 -0.001 0.000 0.299 203 F C 1.831 177.498 175.800 -0.222 0.000 1.090 203 F CA 1.204 59.009 58.000 -0.326 0.000 1.307 203 F CB -0.159 38.462 39.000 -0.630 0.000 1.019 203 F HN 0.022 nan 8.300 nan 0.000 0.489 204 L N -0.909 120.123 121.223 -0.319 0.000 2.027 204 L HA -0.199 4.140 4.340 -0.001 0.000 0.206 204 L C 2.366 179.063 176.870 -0.289 0.000 1.074 204 L CA 1.067 55.703 54.840 -0.341 0.000 0.745 204 L CB -0.847 41.083 42.059 -0.216 0.000 0.898 204 L HN -0.027 nan 8.230 nan 0.000 0.433 205 V N -0.029 119.707 119.914 -0.297 0.000 2.270 205 V HA -0.253 3.867 4.120 -0.001 0.000 0.245 205 V C 2.235 178.201 176.094 -0.214 0.000 1.043 205 V CA 1.798 63.895 62.300 -0.338 0.000 1.014 205 V CB -0.734 30.743 31.823 -0.578 0.000 0.645 205 V HN 0.473 nan 8.190 nan 0.000 0.447 206 N N 0.267 118.845 118.700 -0.204 0.000 2.104 206 N HA -0.156 4.583 4.740 -0.001 0.000 0.190 206 N C 1.913 177.323 175.510 -0.167 0.000 1.024 206 N CA 2.086 55.049 53.050 -0.144 0.000 0.853 206 N CB -0.620 37.807 38.487 -0.098 0.000 1.008 206 N HN 0.480 nan 8.380 nan 0.000 0.424 207 T N 0.967 115.346 114.554 -0.291 0.000 2.652 207 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 207 T C 1.507 176.108 174.700 -0.165 0.000 1.039 207 T CA 0.833 62.747 62.100 -0.309 0.000 1.153 207 T CB -0.339 68.193 68.868 -0.559 0.000 0.863 207 T HN 0.421 nan 8.240 nan 0.000 0.428 208 W N 2.332 123.462 121.300 -0.284 0.000 2.317 208 W HA -0.151 4.509 4.660 -0.000 0.000 0.318 208 W C 1.930 178.356 176.519 -0.155 0.000 1.227 208 W CA 1.436 58.657 57.345 -0.207 0.000 1.269 208 W CB -0.275 29.056 29.460 -0.214 0.000 1.155 208 W HN 0.269 nan 8.180 nan 0.000 0.484 209 K N 0.153 120.575 120.400 0.037 0.000 2.280 209 K HA -0.141 4.179 4.320 -0.001 0.000 0.202 209 K C 1.978 178.525 176.600 -0.088 0.000 1.047 209 K CA 1.632 57.909 56.287 -0.017 0.000 0.942 209 K CB -0.317 32.180 32.500 -0.006 0.000 0.739 209 K HN 0.096 nan 8.250 nan 0.000 0.457 210 S N 0.168 115.797 115.700 -0.119 0.000 2.593 210 S HA 0.075 4.545 4.470 -0.001 0.000 0.217 210 S C 0.382 174.897 174.600 -0.142 0.000 0.966 210 S CA -0.103 58.031 58.200 -0.111 0.000 0.914 210 S CB 0.178 63.320 63.200 -0.096 0.000 0.776 210 S HN -0.071 nan 8.310 nan 0.000 0.523 211 K N 2.233 122.502 120.400 -0.218 0.000 2.201 211 K HA 0.368 4.688 4.320 -0.001 0.000 0.278 211 K C 0.647 177.124 176.600 -0.205 0.000 1.027 211 K CA -0.366 55.778 56.287 -0.238 0.000 0.909 211 K CB 1.192 33.470 32.500 -0.370 0.000 1.062 211 K HN 0.173 nan 8.250 nan 0.000 0.465 212 K N 0.361 120.675 120.400 -0.143 0.000 2.074 212 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 212 K C 0.744 177.269 176.600 -0.125 0.000 1.048 212 K CA 1.298 57.520 56.287 -0.108 0.000 0.926 212 K CB 0.028 32.481 32.500 -0.078 0.000 0.713 212 K HN 0.467 nan 8.250 nan 0.000 0.444 213 C N 2.075 121.282 119.300 -0.155 0.000 3.233 213 C HA 0.292 4.751 4.460 -0.001 0.000 0.299 213 C C -2.704 172.141 174.990 -0.241 0.000 1.060 213 C CA -2.237 56.689 59.018 -0.153 0.000 1.382 213 C CB 0.511 28.203 27.740 -0.080 0.000 1.828 213 C HN 0.196 nan 8.230 nan 0.000 0.530 214 P HA 0.140 nan 4.420 nan 0.000 0.267 214 P C -0.674 176.203 177.300 -0.705 0.000 1.205 214 P CA 0.519 63.074 63.100 -0.909 0.000 0.765 214 P CB 0.885 31.377 31.700 -2.013 0.000 0.828 215 M N 3.231 122.548 119.600 -0.471 0.000 2.327 215 M HA 0.613 5.093 4.480 -0.001 0.000 0.298 215 M C -1.035 175.192 176.300 -0.121 0.000 1.065 215 M CA -0.294 54.858 55.300 -0.246 0.000 0.916 215 M CB 2.310 34.833 32.600 -0.129 0.000 1.630 215 M HN 0.539 nan 8.290 nan 0.000 0.442 216 G N 4.129 112.987 108.800 0.097 0.000 2.619 216 G HA2 0.859 4.819 3.960 -0.001 0.000 0.296 216 G HA3 0.859 4.819 3.960 -0.001 0.000 0.296 216 G C -1.942 173.042 174.900 0.140 0.000 1.334 216 G CA -0.627 44.558 45.100 0.142 0.000 0.934 216 G HN 0.809 nan 8.290 nan 0.000 0.476 217 F N -0.384 119.535 119.950 -0.051 0.000 2.665 217 F HA 0.763 5.290 4.527 -0.001 0.000 0.308 217 F C -0.284 175.505 175.800 -0.018 0.000 1.112 217 F CA -1.348 56.619 58.000 -0.055 0.000 0.972 217 F CB 1.248 40.196 39.000 -0.087 0.000 1.295 217 F HN 0.674 nan 8.300 nan 0.000 0.440 218 S N 1.595 117.423 115.700 0.214 0.000 2.654 218 S HA 0.718 5.188 4.470 -0.001 0.000 0.283 218 S C -1.604 173.238 174.600 0.403 0.000 1.180 218 S CA -0.590 57.707 58.200 0.162 0.000 1.021 218 S CB 1.847 65.103 63.200 0.093 0.000 1.018 218 S HN 0.955 nan 8.310 nan 0.000 0.532 219 Y N 0.884 121.325 120.300 0.235 0.000 2.346 219 Y HA 0.467 5.017 4.550 -0.000 0.000 0.332 219 Y C -1.382 174.651 175.900 0.221 0.000 0.985 219 Y CA -0.856 57.433 58.100 0.314 0.000 1.112 219 Y CB 1.673 40.434 38.460 0.501 0.000 1.170 219 Y HN 0.873 nan 8.280 nan 0.000 0.447 220 D N 4.226 124.430 120.400 -0.326 0.000 2.412 220 D HA 0.255 4.895 4.640 -0.001 0.000 0.224 220 D C -0.831 175.286 176.300 -0.306 0.000 1.093 220 D CA -0.078 53.803 54.000 -0.197 0.000 0.850 220 D CB 1.053 41.787 40.800 -0.110 0.000 1.046 220 D HN 0.477 nan 8.370 nan 0.000 0.507 221 T N 3.902 118.453 114.554 -0.004 0.000 2.814 221 T HA 0.114 4.463 4.350 -0.001 0.000 0.297 221 T C 0.517 175.299 174.700 0.136 0.000 0.956 221 T CA -0.417 61.778 62.100 0.158 0.000 1.123 221 T CB 0.589 69.770 68.868 0.521 0.000 0.902 221 T HN 0.276 nan 8.240 nan 0.000 0.528 222 R N 2.716 123.259 120.500 0.072 0.000 2.402 222 R HA 0.124 4.464 4.340 -0.001 0.000 0.331 222 R C -0.350 176.046 176.300 0.161 0.000 1.040 222 R CA -0.172 55.967 56.100 0.065 0.000 0.980 222 R CB -0.969 29.319 30.300 -0.021 0.000 0.967 222 R HN 0.948 nan 8.270 nan 0.000 0.440 223 C N 5.180 124.603 119.300 0.206 0.000 3.165 223 C HA -0.163 4.297 4.460 -0.001 0.000 0.279 223 C C 1.298 176.490 174.990 0.338 0.000 1.188 223 C CA -0.016 59.170 59.018 0.280 0.000 2.448 223 C CB -2.904 25.036 27.740 0.334 0.000 1.516 223 C HN 1.003 nan 8.230 nan 0.000 0.491 224 F N 1.790 121.854 119.950 0.190 0.000 2.065 224 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 224 F C 1.970 177.882 175.800 0.187 0.000 1.112 224 F CA 2.470 60.585 58.000 0.191 0.000 1.212 224 F CB 0.001 39.103 39.000 0.171 0.000 0.975 224 F HN 0.518 nan 8.300 nan 0.000 0.476 225 D N -0.382 120.269 120.400 0.419 0.000 2.158 225 D HA -0.190 4.449 4.640 -0.001 0.000 0.197 225 D C 2.420 178.804 176.300 0.140 0.000 0.995 225 D CA 1.807 55.979 54.000 0.287 0.000 0.846 225 D CB -0.576 40.398 40.800 0.290 0.000 0.941 225 D HN 0.409 nan 8.370 nan 0.000 0.456 226 S N -0.995 114.805 115.700 0.166 0.000 2.562 226 S HA -0.050 4.420 4.470 -0.001 0.000 0.221 226 S C 1.771 176.334 174.600 -0.061 0.000 0.975 226 S CA 1.027 59.238 58.200 0.019 0.000 0.918 226 S CB -0.317 62.920 63.200 0.062 0.000 0.772 226 S HN 0.335 nan 8.310 nan 0.000 0.531 227 T N -0.789 113.797 114.554 0.054 0.000 3.065 227 T HA 0.260 4.610 4.350 -0.001 0.000 0.252 227 T C 0.496 175.127 174.700 -0.116 0.000 1.099 227 T CA -0.179 61.951 62.100 0.050 0.000 1.063 227 T CB -0.438 68.442 68.868 0.019 0.000 0.948 227 T HN 0.154 nan 8.240 nan 0.000 0.506 228 V N 3.988 123.800 119.914 -0.169 0.000 2.508 228 V HA 0.374 4.493 4.120 -0.001 0.000 0.281 228 V C 1.060 177.104 176.094 -0.083 0.000 1.041 228 V CA -0.359 61.858 62.300 -0.139 0.000 1.016 228 V CB 0.512 32.293 31.823 -0.071 0.000 0.984 228 V HN 0.711 nan 8.190 nan 0.000 0.478 229 T N 1.122 115.640 114.554 -0.059 0.000 2.927 229 T HA 0.369 4.718 4.350 -0.001 0.000 0.281 229 T C 0.920 175.605 174.700 -0.026 0.000 0.998 229 T CA -0.637 61.434 62.100 -0.048 0.000 1.019 229 T CB 1.497 70.341 68.868 -0.041 0.000 1.061 229 T HN 0.584 nan 8.240 nan 0.000 0.518 230 E N 0.834 121.020 120.200 -0.024 0.000 2.130 230 E HA -0.114 4.236 4.350 -0.001 0.000 0.196 230 E C 2.250 178.853 176.600 0.005 0.000 0.998 230 E CA 1.484 57.882 56.400 -0.003 0.000 0.806 230 E CB -0.490 29.208 29.700 -0.004 0.000 0.738 230 E HN 0.663 nan 8.360 nan 0.000 0.459 231 S N 0.315 116.010 115.700 -0.008 0.000 2.356 231 S HA -0.208 4.262 4.470 -0.001 0.000 0.223 231 S C 1.491 176.098 174.600 0.013 0.000 1.032 231 S CA 1.502 59.699 58.200 -0.005 0.000 1.005 231 S CB -0.314 62.868 63.200 -0.031 0.000 0.867 231 S HN 0.168 nan 8.310 nan 0.000 0.449 232 D N 1.251 121.657 120.400 0.010 0.000 2.104 232 D HA -0.074 4.566 4.640 -0.001 0.000 0.194 232 D C 1.916 178.233 176.300 0.028 0.000 0.994 232 D CA 1.364 55.384 54.000 0.034 0.000 0.830 232 D CB -0.474 40.339 40.800 0.022 0.000 0.959 232 D HN 0.475 nan 8.370 nan 0.000 0.452 233 I N 0.553 121.141 120.570 0.030 0.000 2.286 233 I HA -0.233 3.937 4.170 -0.001 0.000 0.248 233 I C 2.502 178.645 176.117 0.044 0.000 1.115 233 I CA 0.992 62.321 61.300 0.049 0.000 1.392 233 I CB -0.082 37.968 38.000 0.083 0.000 1.065 233 I HN -0.082 nan 8.210 nan 0.000 0.418 234 R N -0.091 120.431 120.500 0.036 0.000 2.090 234 R HA -0.074 4.265 4.340 -0.001 0.000 0.228 234 R C 2.329 178.629 176.300 -0.001 0.000 1.110 234 R CA 0.934 57.053 56.100 0.031 0.000 0.973 234 R CB -0.335 29.981 30.300 0.027 0.000 0.869 234 R HN 0.175 nan 8.270 nan 0.000 0.440 235 V N 1.419 121.332 119.914 -0.001 0.000 2.407 235 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 235 V C 2.326 178.354 176.094 -0.109 0.000 1.055 235 V CA 1.919 64.208 62.300 -0.018 0.000 1.049 235 V CB -0.397 31.456 31.823 0.049 0.000 0.662 235 V HN 0.411 nan 8.190 nan 0.000 0.455 236 E N -0.153 119.963 120.200 -0.140 0.000 2.153 236 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 236 E C 2.213 178.446 176.600 -0.611 0.000 0.988 236 E CA 1.481 57.677 56.400 -0.341 0.000 0.811 236 E CB -0.061 29.507 29.700 -0.220 0.000 0.746 236 E HN 0.715 nan 8.360 nan 0.000 0.466 237 E N 0.249 120.306 120.200 -0.238 0.000 2.072 237 E HA -0.148 4.202 4.350 -0.001 0.000 0.190 237 E C 2.143 178.707 176.600 -0.060 0.000 0.982 237 E CA 1.177 57.548 56.400 -0.049 0.000 0.803 237 E CB -0.051 29.718 29.700 0.115 0.000 0.755 237 E HN 0.304 nan 8.360 nan 0.000 0.453 238 S N 0.440 116.099 115.700 -0.069 0.000 2.420 238 S HA -0.168 4.302 4.470 -0.001 0.000 0.237 238 S C 1.970 176.531 174.600 -0.066 0.000 1.023 238 S CA 1.023 59.199 58.200 -0.041 0.000 0.991 238 S CB -0.508 62.671 63.200 -0.036 0.000 0.792 238 S HN 0.298 nan 8.310 nan 0.000 0.488 239 I N -0.327 120.144 120.570 -0.165 0.000 2.277 239 I HA -0.062 4.108 4.170 -0.001 0.000 0.243 239 I C 2.203 178.290 176.117 -0.050 0.000 1.094 239 I CA 1.046 62.252 61.300 -0.156 0.000 1.393 239 I CB -0.458 37.385 38.000 -0.263 0.000 1.078 239 I HN 0.210 nan 8.210 nan 0.000 0.417 240 Y N 1.114 121.406 120.300 -0.013 0.000 2.256 240 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 240 Y C 2.604 178.505 175.900 0.002 0.000 1.155 240 Y CA 0.693 58.789 58.100 -0.007 0.000 1.203 240 Y CB -0.914 37.554 38.460 0.013 0.000 0.980 240 Y HN 0.240 nan 8.280 nan 0.000 0.530 241 Q N -1.398 118.494 119.800 0.153 0.000 2.437 241 Q HA -0.112 4.228 4.340 -0.001 0.000 0.210 241 Q C 2.191 178.224 176.000 0.055 0.000 0.972 241 Q CA 0.830 56.688 55.803 0.091 0.000 0.903 241 Q CB -0.665 28.110 28.738 0.062 0.000 0.967 241 Q HN 0.507 nan 8.270 nan 0.000 0.486 242 C N -0.159 119.167 119.300 0.043 0.000 2.514 242 C HA 0.054 4.513 4.460 -0.001 0.000 0.271 242 C C 1.441 176.446 174.990 0.026 0.000 1.399 242 C CA -0.825 58.206 59.018 0.022 0.000 1.765 242 C CB -0.561 27.180 27.740 0.003 0.000 1.893 242 C HN 0.372 nan 8.230 nan 0.000 0.531 243 C N 1.955 121.281 119.300 0.043 0.000 2.657 243 C HA 0.133 4.592 4.460 -0.001 0.000 0.404 243 C C 0.590 175.598 174.990 0.030 0.000 1.291 243 C CA -0.413 58.625 59.018 0.034 0.000 2.218 243 C CB -0.243 27.523 27.740 0.043 0.000 2.687 243 C HN 0.516 nan 8.230 nan 0.000 0.634 244 D N 1.648 122.061 120.400 0.021 0.000 2.343 244 D HA 0.438 5.078 4.640 -0.001 0.000 0.255 244 D C -0.940 175.377 176.300 0.027 0.000 1.187 244 D CA 0.290 54.302 54.000 0.021 0.000 0.875 244 D CB 0.425 41.233 40.800 0.014 0.000 1.136 244 D HN 0.419 nan 8.370 nan 0.000 0.469 245 L N 2.133 123.376 121.223 0.034 0.000 2.393 245 L HA 0.528 4.868 4.340 -0.001 0.000 0.260 245 L C 0.078 176.976 176.870 0.046 0.000 1.002 245 L CA -1.173 53.693 54.840 0.043 0.000 0.818 245 L CB 1.892 43.982 42.059 0.052 0.000 1.369 245 L HN 0.355 nan 8.230 nan 0.000 0.412 246 A N 2.045 124.900 122.820 0.058 0.000 2.425 246 A HA 0.446 4.765 4.320 -0.001 0.000 0.249 246 A C -1.793 175.833 177.584 0.071 0.000 1.084 246 A CA -0.938 51.137 52.037 0.062 0.000 0.781 246 A CB 0.021 19.065 19.000 0.073 0.000 1.019 246 A HN 0.642 nan 8.150 nan 0.000 0.490 247 P HA -0.261 nan 4.420 nan 0.000 0.218 247 P C 1.065 178.400 177.300 0.058 0.000 1.165 247 P CA 2.128 65.257 63.100 0.049 0.000 0.922 247 P CB 0.071 31.796 31.700 0.041 0.000 0.794 248 E N -0.966 119.296 120.200 0.104 0.000 2.209 248 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 248 E C 2.006 178.678 176.600 0.120 0.000 0.993 248 E CA 1.171 57.646 56.400 0.125 0.000 0.819 248 E CB -0.499 29.398 29.700 0.329 0.000 0.745 248 E HN 0.239 nan 8.360 nan 0.000 0.477 249 A N 1.633 124.566 122.820 0.187 0.000 1.897 249 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 249 A C 2.135 179.763 177.584 0.073 0.000 1.181 249 A CA 1.158 53.306 52.037 0.185 0.000 0.620 249 A CB -0.360 18.743 19.000 0.172 0.000 0.821 249 A HN 0.059 nan 8.150 nan 0.000 0.443 250 R N -0.906 119.625 120.500 0.052 0.000 2.096 250 R HA -0.194 4.146 4.340 -0.001 0.000 0.235 250 R C 2.336 178.634 176.300 -0.002 0.000 1.127 250 R CA 1.838 57.958 56.100 0.032 0.000 0.968 250 R CB -0.166 30.153 30.300 0.031 0.000 0.861 250 R HN 0.550 nan 8.270 nan 0.000 0.440 251 Q N 0.045 119.821 119.800 -0.041 0.000 2.083 251 Q HA -0.004 4.336 4.340 -0.001 0.000 0.198 251 Q C 1.827 177.738 176.000 -0.149 0.000 0.969 251 Q CA 1.951 57.698 55.803 -0.093 0.000 0.838 251 Q CB -0.227 28.436 28.738 -0.125 0.000 0.900 251 Q HN 0.391 nan 8.270 nan 0.000 0.436 252 A N 0.439 123.125 122.820 -0.222 0.000 1.908 252 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 252 A C 2.126 179.641 177.584 -0.115 0.000 1.181 252 A CA 1.667 53.527 52.037 -0.295 0.000 0.627 252 A CB -0.870 17.886 19.000 -0.406 0.000 0.818 252 A HN 0.488 nan 8.150 nan 0.000 0.445 253 I N -1.257 119.302 120.570 -0.018 0.000 2.226 253 I HA -0.257 3.913 4.170 -0.001 0.000 0.245 253 I C 2.704 178.857 176.117 0.061 0.000 1.100 253 I CA 1.796 63.134 61.300 0.063 0.000 1.374 253 I CB -0.310 37.745 38.000 0.092 0.000 1.057 253 I HN 0.344 nan 8.210 nan 0.000 0.413 254 R N 1.132 121.641 120.500 0.015 0.000 2.070 254 R HA -0.127 4.213 4.340 -0.001 0.000 0.233 254 R C 2.371 178.649 176.300 -0.036 0.000 1.137 254 R CA 2.184 58.288 56.100 0.007 0.000 0.945 254 R CB -0.519 29.774 30.300 -0.012 0.000 0.845 254 R HN 0.129 nan 8.270 nan 0.000 0.430 255 S N 0.337 115.984 115.700 -0.089 0.000 2.383 255 S HA -0.044 4.425 4.470 -0.001 0.000 0.227 255 S C 1.803 176.305 174.600 -0.164 0.000 1.026 255 S CA 1.240 59.367 58.200 -0.122 0.000 0.981 255 S CB -0.229 62.876 63.200 -0.160 0.000 0.818 255 S HN 0.264 nan 8.310 nan 0.000 0.472 256 L N 0.989 122.086 121.223 -0.210 0.000 2.093 256 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 256 L C 2.644 179.206 176.870 -0.515 0.000 1.085 256 L CA 1.117 55.703 54.840 -0.423 0.000 0.755 256 L CB -1.122 40.655 42.059 -0.470 0.000 0.904 256 L HN 0.303 nan 8.230 nan 0.000 0.435 257 T N -0.923 113.538 114.554 -0.154 0.000 2.674 257 T HA -0.161 4.189 4.350 -0.001 0.000 0.265 257 T C 1.792 176.492 174.700 0.001 0.000 1.039 257 T CA 1.230 63.374 62.100 0.074 0.000 1.150 257 T CB -0.105 68.870 68.868 0.179 0.000 0.864 257 T HN 0.266 nan 8.240 nan 0.000 0.427 258 E N 1.040 121.221 120.200 -0.031 0.000 2.107 258 E HA 0.006 4.355 4.350 -0.001 0.000 0.191 258 E C 2.309 178.881 176.600 -0.047 0.000 0.982 258 E CA 0.862 57.247 56.400 -0.025 0.000 0.809 258 E CB -0.106 29.579 29.700 -0.024 0.000 0.756 258 E HN 0.491 nan 8.360 nan 0.000 0.459 259 R N -0.556 119.886 120.500 -0.097 0.000 2.265 259 R HA 0.138 4.477 4.340 -0.001 0.000 0.194 259 R C 1.736 177.961 176.300 -0.125 0.000 0.931 259 R CA 0.251 56.294 56.100 -0.095 0.000 1.032 259 R CB 0.348 30.587 30.300 -0.103 0.000 0.980 259 R HN 0.025 nan 8.270 nan 0.000 0.497 260 L N -2.206 118.898 121.223 -0.198 0.000 2.658 260 L HA 0.206 4.545 4.340 -0.001 0.000 0.201 260 L C 1.211 178.045 176.870 -0.060 0.000 1.050 260 L CA 0.724 55.448 54.840 -0.195 0.000 0.893 260 L CB -0.205 41.661 42.059 -0.322 0.000 1.503 260 L HN -0.147 nan 8.230 nan 0.000 0.485 261 Y N 1.582 121.891 120.300 0.016 0.000 2.145 261 Y HA -0.091 4.458 4.550 -0.001 0.000 0.286 261 Y C 2.564 178.467 175.900 0.005 0.000 1.145 261 Y CA 1.671 59.789 58.100 0.030 0.000 1.148 261 Y CB -1.197 37.305 38.460 0.069 0.000 0.981 261 Y HN 0.357 nan 8.280 nan 0.000 0.507 262 I N -2.591 118.064 120.570 0.142 0.000 2.493 262 I HA 0.269 4.438 4.170 -0.001 0.000 0.254 262 I C 1.131 177.248 176.117 0.000 0.000 1.160 262 I CA 1.223 62.562 61.300 0.064 0.000 1.445 262 I CB -0.477 37.553 38.000 0.050 0.000 1.086 262 I HN 0.156 nan 8.210 nan 0.000 0.433 263 G N -0.433 108.345 108.800 -0.038 0.000 2.333 263 G HA2 0.480 4.440 3.960 -0.001 0.000 0.288 263 G HA3 0.480 4.440 3.960 -0.001 0.000 0.288 263 G C -0.778 173.953 174.900 -0.280 0.000 1.286 263 G CA -0.238 44.766 45.100 -0.160 0.000 0.865 263 G HN 0.817 nan 8.290 nan 0.000 0.506 264 G N -1.088 107.272 108.800 -0.732 0.000 2.356 264 G HA2 0.652 4.612 3.960 -0.001 0.000 0.300 264 G HA3 0.652 4.612 3.960 -0.001 0.000 0.300 264 G C -3.439 170.797 174.900 -1.107 0.000 1.331 264 G CA 0.212 44.844 45.100 -0.779 0.000 0.905 264 G HN 0.876 nan 8.290 nan 0.000 0.587 265 P HA 0.455 nan 4.420 nan 0.000 0.271 265 P C -0.578 176.613 177.300 -0.182 0.000 1.218 265 P CA -0.080 62.880 63.100 -0.234 0.000 0.780 265 P CB 1.137 32.831 31.700 -0.010 0.000 0.901 266 L N 2.167 123.333 121.223 -0.095 0.000 2.333 266 L HA 0.473 4.813 4.340 -0.001 0.000 0.280 266 L C 0.418 177.292 176.870 0.007 0.000 1.004 266 L CA -0.263 54.553 54.840 -0.040 0.000 0.820 266 L CB 1.835 43.903 42.059 0.015 0.000 1.247 266 L HN 0.274 nan 8.230 nan 0.000 0.416 267 T N 1.359 115.899 114.554 -0.022 0.000 2.824 267 T HA 0.333 4.683 4.350 -0.001 0.000 0.282 267 T C -0.182 174.506 174.700 -0.021 0.000 0.993 267 T CA -0.821 61.271 62.100 -0.014 0.000 0.967 267 T CB 1.474 70.320 68.868 -0.038 0.000 0.960 267 T HN 0.673 nan 8.240 nan 0.000 0.441 268 N N 0.791 119.497 118.700 0.009 0.000 2.322 268 N HA 0.122 4.862 4.740 -0.001 0.000 0.270 268 N C 1.409 176.913 175.510 -0.011 0.000 1.286 268 N CA -0.286 52.769 53.050 0.007 0.000 0.948 268 N CB 0.081 38.584 38.487 0.025 0.000 1.164 268 N HN 0.426 nan 8.380 nan 0.000 0.551 269 S N -1.709 113.992 115.700 0.001 0.000 2.507 269 S HA -0.059 4.411 4.470 -0.001 0.000 0.235 269 S C 0.985 175.583 174.600 -0.004 0.000 0.988 269 S CA 0.562 58.763 58.200 0.002 0.000 0.944 269 S CB -0.433 62.780 63.200 0.021 0.000 0.762 269 S HN 0.602 nan 8.310 nan 0.000 0.526 270 K N 0.552 120.951 120.400 -0.001 0.000 2.393 270 K HA 0.277 4.597 4.320 -0.001 0.000 0.193 270 K C 1.245 177.841 176.600 -0.008 0.000 1.026 270 K CA 0.416 56.702 56.287 -0.003 0.000 1.064 270 K CB 0.073 32.575 32.500 0.004 0.000 0.833 270 K HN 0.525 nan 8.250 nan 0.000 0.521 271 G N 1.772 110.565 108.800 -0.012 0.000 2.157 271 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.239 271 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.239 271 G C -0.124 174.775 174.900 -0.001 0.000 0.982 271 G CA -0.182 44.909 45.100 -0.016 0.000 0.650 271 G HN 0.308 nan 8.290 nan 0.000 0.527 272 Q N -0.245 119.561 119.800 0.009 0.000 2.318 272 Q HA 0.370 4.710 4.340 -0.001 0.000 0.222 272 Q C 0.301 176.320 176.000 0.032 0.000 1.003 272 Q CA -0.343 55.473 55.803 0.022 0.000 0.936 272 Q CB 0.746 29.501 28.738 0.028 0.000 1.204 272 Q HN 0.374 nan 8.270 nan 0.000 0.524 273 N N 0.243 118.970 118.700 0.045 0.000 2.527 273 N HA 0.122 4.862 4.740 -0.001 0.000 0.236 273 N C -0.055 175.513 175.510 0.097 0.000 0.999 273 N CA -0.476 52.610 53.050 0.060 0.000 0.935 273 N CB 0.474 38.994 38.487 0.055 0.000 1.132 273 N HN 0.535 nan 8.380 nan 0.000 0.511 274 C N 2.766 122.142 119.300 0.127 0.000 2.457 274 C HA 0.268 4.728 4.460 -0.001 0.000 0.278 274 C C 1.463 176.633 174.990 0.300 0.000 1.309 274 C CA 0.764 59.924 59.018 0.236 0.000 1.735 274 C CB -1.206 26.716 27.740 0.304 0.000 1.992 274 C HN 0.945 nan 8.230 nan 0.000 0.493 275 G N -2.501 106.388 108.800 0.148 0.000 2.452 275 G HA2 0.358 4.318 3.960 -0.001 0.000 0.224 275 G HA3 0.358 4.318 3.960 -0.001 0.000 0.224 275 G C -2.121 172.782 174.900 0.004 0.000 1.208 275 G CA -0.304 44.812 45.100 0.028 0.000 0.946 275 G HN 0.067 nan 8.290 nan 0.000 0.481 276 Y N 0.810 120.945 120.300 -0.275 0.000 2.433 276 Y HA 0.725 5.274 4.550 -0.001 0.000 0.337 276 Y C 0.008 175.735 175.900 -0.289 0.000 1.026 276 Y CA -0.829 57.141 58.100 -0.217 0.000 1.037 276 Y CB 1.935 40.291 38.460 -0.174 0.000 1.245 276 Y HN 0.678 nan 8.280 nan 0.000 0.443 277 R N 4.718 124.894 120.500 -0.540 0.000 2.368 277 R HA 0.537 4.877 4.340 -0.001 0.000 0.302 277 R C -0.503 175.555 176.300 -0.404 0.000 1.002 277 R CA -0.398 55.392 56.100 -0.517 0.000 0.929 277 R CB 0.796 30.868 30.300 -0.380 0.000 1.073 277 R HN 0.931 nan 8.270 nan 0.000 0.464 278 R N 3.112 123.376 120.500 -0.393 0.000 2.615 278 R HA 0.197 4.537 4.340 -0.001 0.000 0.448 278 R C -0.757 175.404 176.300 -0.232 0.000 1.009 278 R CA -0.254 55.728 56.100 -0.196 0.000 1.111 278 R CB 0.496 30.734 30.300 -0.104 0.000 1.461 278 R HN 0.827 nan 8.270 nan 0.000 0.587 279 C N -2.108 117.008 119.300 -0.307 0.000 3.321 279 C HA 0.605 5.065 4.460 -0.001 0.000 0.363 279 C C -0.334 174.588 174.990 -0.113 0.000 1.705 279 C CA -1.489 57.400 59.018 -0.215 0.000 1.298 279 C CB 1.157 28.721 27.740 -0.294 0.000 2.086 279 C HN 0.288 nan 8.230 nan 0.000 0.438 280 R N 1.151 121.640 120.500 -0.019 0.000 2.538 280 R HA 0.453 4.793 4.340 -0.001 0.000 0.282 280 R C 0.027 176.387 176.300 0.100 0.000 1.009 280 R CA 0.963 57.106 56.100 0.072 0.000 1.063 280 R CB -0.108 30.277 30.300 0.142 0.000 0.945 280 R HN 1.186 nan 8.270 nan 0.000 0.414 281 A N 3.613 126.507 122.820 0.123 0.000 2.276 281 A HA 0.248 4.567 4.320 -0.001 0.000 0.300 281 A C 1.072 178.763 177.584 0.180 0.000 1.235 281 A CA 0.025 52.154 52.037 0.154 0.000 0.867 281 A CB 0.570 19.664 19.000 0.156 0.000 1.137 281 A HN 1.009 nan 8.150 nan 0.000 0.527 282 S N 2.321 118.141 115.700 0.200 0.000 2.447 282 S HA -0.017 4.452 4.470 -0.001 0.000 0.233 282 S C 1.147 175.856 174.600 0.181 0.000 1.006 282 S CA 1.131 59.446 58.200 0.191 0.000 0.957 282 S CB -0.100 63.219 63.200 0.199 0.000 0.773 282 S HN 1.240 nan 8.310 nan 0.000 0.507 283 G N 1.774 110.704 108.800 0.216 0.000 4.125 283 G HA2 0.518 4.478 3.960 -0.001 0.000 0.301 283 G HA3 0.518 4.478 3.960 -0.001 0.000 0.301 283 G C -0.079 174.953 174.900 0.221 0.000 1.273 283 G CA 0.002 45.234 45.100 0.220 0.000 1.095 283 G HN 0.633 nan 8.290 nan 0.000 0.582 284 V N -2.657 117.373 119.914 0.193 0.000 3.113 284 V HA 0.587 4.707 4.120 -0.001 0.000 0.316 284 V C 1.345 177.530 176.094 0.152 0.000 1.125 284 V CA -0.954 61.474 62.300 0.214 0.000 1.026 284 V CB 1.625 33.637 31.823 0.315 0.000 1.080 284 V HN 0.051 nan 8.190 nan 0.000 0.444 285 L N 1.820 123.144 121.223 0.168 0.000 2.141 285 L HA -0.007 4.333 4.340 -0.001 0.000 0.209 285 L C 2.222 179.122 176.870 0.049 0.000 1.094 285 L CA 2.934 57.856 54.840 0.138 0.000 0.763 285 L CB -0.642 41.522 42.059 0.175 0.000 0.908 285 L HN 1.082 nan 8.230 nan 0.000 0.437 286 T N -6.055 108.457 114.554 -0.070 0.000 3.107 286 T HA 0.026 4.376 4.350 -0.001 0.000 0.249 286 T C 1.525 176.174 174.700 -0.085 0.000 1.096 286 T CA 0.642 62.640 62.100 -0.170 0.000 1.012 286 T CB -0.618 67.969 68.868 -0.469 0.000 0.977 286 T HN 0.236 nan 8.240 nan 0.000 0.527 287 T N 1.825 116.368 114.554 -0.018 0.000 2.684 287 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 287 T C 2.191 176.925 174.700 0.055 0.000 1.036 287 T CA 1.708 63.835 62.100 0.045 0.000 1.148 287 T CB -0.555 68.364 68.868 0.086 0.000 0.863 287 T HN 0.513 nan 8.240 nan 0.000 0.436 288 S N -0.367 115.341 115.700 0.014 0.000 2.357 288 S HA -0.127 4.342 4.470 -0.001 0.000 0.221 288 S C 2.425 177.048 174.600 0.037 0.000 1.031 288 S CA 1.146 59.343 58.200 -0.004 0.000 0.982 288 S CB -0.885 62.211 63.200 -0.174 0.000 0.853 288 S HN 0.658 nan 8.310 nan 0.000 0.458 289 C N 1.235 120.534 119.300 -0.002 0.000 2.432 289 C HA 0.055 4.515 4.460 -0.001 0.000 0.277 289 C C 2.822 177.867 174.990 0.091 0.000 1.249 289 C CA 1.148 60.186 59.018 0.034 0.000 1.725 289 C CB -1.732 26.015 27.740 0.012 0.000 2.028 289 C HN 0.722 nan 8.230 nan 0.000 0.477 290 G N 0.343 109.206 108.800 0.104 0.000 2.421 290 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 290 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 290 G C 1.504 176.504 174.900 0.166 0.000 1.171 290 G CA 1.049 46.215 45.100 0.112 0.000 0.775 290 G HN 0.586 nan 8.290 nan 0.000 0.543 291 N N 0.454 119.267 118.700 0.190 0.000 2.120 291 N HA -0.076 4.663 4.740 -0.001 0.000 0.188 291 N C 2.391 177.975 175.510 0.123 0.000 1.024 291 N CA 1.609 54.797 53.050 0.231 0.000 0.852 291 N CB -0.780 37.734 38.487 0.046 0.000 1.003 291 N HN 0.232 nan 8.380 nan 0.000 0.424 292 T N 1.883 116.508 114.554 0.119 0.000 2.746 292 T HA 0.003 4.352 4.350 -0.001 0.000 0.267 292 T C 2.107 176.906 174.700 0.165 0.000 1.039 292 T CA 0.637 62.826 62.100 0.149 0.000 1.142 292 T CB -0.234 68.787 68.868 0.255 0.000 0.866 292 T HN 0.125 nan 8.240 nan 0.000 0.444 293 L N 0.594 121.886 121.223 0.115 0.000 1.994 293 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 293 L C 2.974 179.944 176.870 0.167 0.000 1.071 293 L CA 1.382 56.269 54.840 0.079 0.000 0.745 293 L CB -1.161 40.888 42.059 -0.017 0.000 0.892 293 L HN 0.286 nan 8.230 nan 0.000 0.431 294 T N -1.035 113.637 114.554 0.196 0.000 2.708 294 T HA -0.265 4.084 4.350 -0.001 0.000 0.266 294 T C 2.000 176.901 174.700 0.335 0.000 1.037 294 T CA 1.644 63.892 62.100 0.247 0.000 1.146 294 T CB -0.527 68.519 68.868 0.298 0.000 0.865 294 T HN 0.490 nan 8.240 nan 0.000 0.435 295 C N 0.722 120.289 119.300 0.445 0.000 2.425 295 C HA -0.085 4.375 4.460 -0.001 0.000 0.277 295 C C 2.418 177.585 174.990 0.294 0.000 1.280 295 C CA 0.544 59.818 59.018 0.427 0.000 1.744 295 C CB -1.492 26.404 27.740 0.260 0.000 1.989 295 C HN 0.647 nan 8.230 nan 0.000 0.491 296 Y N 1.223 121.604 120.300 0.135 0.000 2.200 296 Y HA -0.057 4.493 4.550 -0.001 0.000 0.290 296 Y C 2.122 178.061 175.900 0.064 0.000 1.137 296 Y CA 2.034 60.188 58.100 0.091 0.000 1.163 296 Y CB -0.690 37.804 38.460 0.058 0.000 0.988 296 Y HN 0.334 nan 8.280 nan 0.000 0.518 297 L N 1.268 122.598 121.223 0.177 0.000 1.955 297 L HA -0.212 4.128 4.340 -0.001 0.000 0.213 297 L C 2.187 179.005 176.870 -0.086 0.000 1.072 297 L CA 2.196 57.022 54.840 -0.023 0.000 0.755 297 L CB -1.084 40.929 42.059 -0.077 0.000 0.888 297 L HN 0.178 nan 8.230 nan 0.000 0.432 298 K N -0.261 120.166 120.400 0.046 0.000 2.020 298 K HA -0.202 4.118 4.320 -0.001 0.000 0.212 298 K C 2.091 178.803 176.600 0.187 0.000 1.050 298 K CA 1.727 58.104 56.287 0.151 0.000 0.929 298 K CB -0.642 32.018 32.500 0.267 0.000 0.714 298 K HN 0.551 nan 8.250 nan 0.000 0.443 299 A N 1.112 124.008 122.820 0.128 0.000 1.883 299 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 299 A C 2.305 179.961 177.584 0.121 0.000 1.186 299 A CA 2.246 54.390 52.037 0.178 0.000 0.624 299 A CB -1.120 18.007 19.000 0.211 0.000 0.822 299 A HN 0.315 nan 8.150 nan 0.000 0.444 300 T N 0.395 114.882 114.554 -0.111 0.000 2.652 300 T HA -0.100 4.249 4.350 -0.001 0.000 0.267 300 T C 2.225 176.902 174.700 -0.038 0.000 1.039 300 T CA 1.948 63.943 62.100 -0.176 0.000 1.153 300 T CB -0.550 68.071 68.868 -0.413 0.000 0.863 300 T HN 0.628 nan 8.240 nan 0.000 0.428 301 A N 1.283 124.111 122.820 0.014 0.000 1.933 301 A HA 0.187 4.507 4.320 -0.001 0.000 0.218 301 A C 2.631 180.300 177.584 0.141 0.000 1.175 301 A CA 1.813 53.916 52.037 0.111 0.000 0.628 301 A CB -1.050 18.070 19.000 0.201 0.000 0.814 301 A HN 0.516 nan 8.150 nan 0.000 0.444 302 A N -1.085 121.857 122.820 0.204 0.000 1.902 302 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 302 A C 2.290 179.951 177.584 0.128 0.000 1.181 302 A CA 1.581 53.606 52.037 -0.020 0.000 0.623 302 A CB -1.347 17.383 19.000 -0.449 0.000 0.818 302 A HN 0.573 nan 8.150 nan 0.000 0.443 303 C N -0.766 118.692 119.300 0.263 0.000 2.403 303 C HA -0.142 4.318 4.460 -0.001 0.000 0.277 303 C C 2.976 177.981 174.990 0.024 0.000 1.248 303 C CA 1.336 60.476 59.018 0.203 0.000 1.762 303 C CB -1.332 26.470 27.740 0.103 0.000 2.014 303 C HN 0.603 nan 8.230 nan 0.000 0.486 304 R N 0.758 121.191 120.500 -0.111 0.000 2.062 304 R HA -0.054 4.285 4.340 -0.001 0.000 0.231 304 R C 2.479 178.587 176.300 -0.320 0.000 1.136 304 R CA 1.503 57.440 56.100 -0.271 0.000 0.948 304 R CB -0.716 29.277 30.300 -0.511 0.000 0.845 304 R HN 0.498 nan 8.270 nan 0.000 0.430 305 A N 1.544 124.121 122.820 -0.405 0.000 1.948 305 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 305 A C 2.324 179.884 177.584 -0.040 0.000 1.177 305 A CA 2.003 53.946 52.037 -0.157 0.000 0.636 305 A CB -0.606 18.346 19.000 -0.078 0.000 0.815 305 A HN 0.442 nan 8.150 nan 0.000 0.449 306 A N -2.168 120.646 122.820 -0.010 0.000 2.072 306 A HA 0.249 4.568 4.320 -0.001 0.000 0.216 306 A C 1.191 178.787 177.584 0.020 0.000 1.156 306 A CA 1.267 53.323 52.037 0.032 0.000 0.701 306 A CB -0.186 18.883 19.000 0.116 0.000 0.816 306 A HN 0.503 nan 8.150 nan 0.000 0.458 307 K N -2.300 118.104 120.400 0.006 0.000 3.338 307 K HA -0.114 4.205 4.320 -0.001 0.000 0.292 307 K C -0.995 175.610 176.600 0.009 0.000 1.268 307 K CA 0.254 56.545 56.287 0.007 0.000 0.853 307 K CB -2.027 30.482 32.500 0.014 0.000 1.342 307 K HN 0.329 nan 8.250 nan 0.000 0.501 308 L N 1.342 122.574 121.223 0.014 0.000 2.453 308 L HA 0.110 4.450 4.340 -0.001 0.000 0.272 308 L C 0.767 177.635 176.870 -0.003 0.000 1.182 308 L CA 0.741 55.587 54.840 0.010 0.000 0.858 308 L CB 0.556 42.629 42.059 0.023 0.000 1.120 308 L HN 0.102 nan 8.230 nan 0.000 0.474 309 Q N 1.593 121.387 119.800 -0.010 0.000 2.257 309 Q HA 0.259 4.599 4.340 -0.001 0.000 0.255 309 Q C -0.191 175.789 176.000 -0.033 0.000 0.920 309 Q CA -0.100 55.692 55.803 -0.018 0.000 0.927 309 Q CB 0.727 29.454 28.738 -0.018 0.000 1.229 309 Q HN 0.492 nan 8.270 nan 0.000 0.433 310 D N 1.292 121.674 120.400 -0.030 0.000 2.689 310 D HA -0.193 4.447 4.640 -0.001 0.000 0.237 310 D C -1.203 175.066 176.300 -0.052 0.000 1.148 310 D CA 0.207 54.184 54.000 -0.038 0.000 0.656 310 D CB -0.931 39.839 40.800 -0.050 0.000 1.050 310 D HN 0.553 nan 8.370 nan 0.000 0.426 311 C N 0.344 119.617 119.300 -0.044 0.000 2.662 311 C HA 0.483 4.943 4.460 -0.001 0.000 0.420 311 C C 1.033 175.995 174.990 -0.046 0.000 1.314 311 C CA -0.152 58.829 59.018 -0.062 0.000 1.963 311 C CB 0.730 28.434 27.740 -0.060 0.000 2.686 311 C HN 0.442 nan 8.230 nan 0.000 0.609 312 T N 4.533 119.047 114.554 -0.066 0.000 2.840 312 T HA 0.468 4.817 4.350 -0.001 0.000 0.287 312 T C -0.466 174.232 174.700 -0.002 0.000 0.991 312 T CA -0.172 61.924 62.100 -0.006 0.000 0.964 312 T CB 0.986 69.822 68.868 -0.054 0.000 0.954 312 T HN 0.592 nan 8.240 nan 0.000 0.438 313 M N 3.132 122.785 119.600 0.088 0.000 2.578 313 M HA 0.675 5.155 4.480 -0.001 0.000 0.321 313 M C -1.524 174.898 176.300 0.203 0.000 1.182 313 M CA -1.035 54.313 55.300 0.080 0.000 0.965 313 M CB 1.796 34.425 32.600 0.049 0.000 1.694 313 M HN 0.351 nan 8.290 nan 0.000 0.461 314 L N 3.244 124.549 121.223 0.136 0.000 2.404 314 L HA 0.652 4.992 4.340 -0.001 0.000 0.272 314 L C -1.553 175.346 176.870 0.048 0.000 0.980 314 L CA -0.429 54.495 54.840 0.141 0.000 0.836 314 L CB 1.932 44.089 42.059 0.164 0.000 1.238 314 L HN 0.424 nan 8.230 nan 0.000 0.408 315 V N 4.155 124.087 119.914 0.029 0.000 2.540 315 V HA 0.556 4.676 4.120 -0.001 0.000 0.302 315 V C -0.629 175.346 176.094 -0.199 0.000 1.035 315 V CA -0.651 61.646 62.300 -0.004 0.000 0.873 315 V CB 2.027 33.939 31.823 0.149 0.000 0.992 315 V HN 0.764 nan 8.190 nan 0.000 0.428 316 N N 3.437 121.971 118.700 -0.277 0.000 2.716 316 N HA 0.582 5.321 4.740 -0.001 0.000 0.253 316 N C 0.547 175.951 175.510 -0.177 0.000 1.170 316 N CA 0.612 53.301 53.050 -0.602 0.000 0.807 316 N CB 1.585 39.614 38.487 -0.762 0.000 1.183 316 N HN 1.079 nan 8.380 nan 0.000 0.524 317 G N 2.082 110.922 108.800 0.066 0.000 2.596 317 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.304 317 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.304 317 G C 0.697 175.470 174.900 -0.211 0.000 1.189 317 G CA 0.705 45.832 45.100 0.046 0.000 0.986 317 G HN 0.567 nan 8.290 nan 0.000 0.548 318 D N 1.268 121.448 120.400 -0.367 0.000 2.323 318 D HA 0.044 4.684 4.640 -0.001 0.000 0.209 318 D C 0.533 176.689 176.300 -0.241 0.000 0.973 318 D CA 0.899 54.482 54.000 -0.694 0.000 0.874 318 D CB -0.255 40.087 40.800 -0.763 0.000 0.930 318 D HN 0.418 nan 8.370 nan 0.000 0.521 319 D N 0.585 120.915 120.400 -0.116 0.000 2.351 319 D HA 0.267 4.906 4.640 -0.001 0.000 0.251 319 D C -0.773 175.523 176.300 -0.008 0.000 1.137 319 D CA -0.289 53.691 54.000 -0.034 0.000 0.879 319 D CB 1.115 41.888 40.800 -0.046 0.000 1.181 319 D HN 0.068 nan 8.370 nan 0.000 0.448 320 L N 4.622 125.885 121.223 0.066 0.000 2.431 320 L HA 0.523 4.863 4.340 -0.001 0.000 0.266 320 L C -1.781 175.112 176.870 0.038 0.000 0.978 320 L CA -0.716 54.175 54.840 0.084 0.000 0.822 320 L CB 2.003 44.185 42.059 0.206 0.000 1.310 320 L HN 0.132 nan 8.230 nan 0.000 0.409 321 V N 5.855 125.736 119.914 -0.055 0.000 2.733 321 V HA 0.812 4.932 4.120 -0.001 0.000 0.306 321 V C -1.583 174.331 176.094 -0.300 0.000 1.084 321 V CA -0.272 61.929 62.300 -0.166 0.000 0.905 321 V CB 2.286 34.050 31.823 -0.099 0.000 1.010 321 V HN 0.621 nan 8.190 nan 0.000 0.424 322 V N 7.497 127.024 119.914 -0.645 0.000 2.769 322 V HA 0.647 4.767 4.120 -0.001 0.000 0.312 322 V C -0.379 175.404 176.094 -0.518 0.000 1.061 322 V CA -0.563 61.336 62.300 -0.668 0.000 0.931 322 V CB 2.001 33.171 31.823 -1.088 0.000 1.010 322 V HN 0.784 nan 8.190 nan 0.000 0.433 323 I N 3.796 124.196 120.570 -0.284 0.000 2.533 323 I HA 0.713 4.882 4.170 -0.001 0.000 0.290 323 I C -0.337 175.670 176.117 -0.184 0.000 1.056 323 I CA -0.351 60.847 61.300 -0.170 0.000 1.057 323 I CB 1.933 39.882 38.000 -0.086 0.000 1.240 323 I HN 0.920 nan 8.210 nan 0.000 0.423 324 C N 2.057 121.249 119.300 -0.180 0.000 3.335 324 C HA 0.551 5.010 4.460 -0.001 0.000 0.356 324 C C -0.692 174.201 174.990 -0.163 0.000 1.570 324 C CA -0.918 58.013 59.018 -0.144 0.000 1.271 324 C CB 1.850 29.543 27.740 -0.078 0.000 1.873 324 C HN 0.634 nan 8.230 nan 0.000 0.439 325 E N 1.934 122.065 120.200 -0.115 0.000 2.257 325 E HA 0.273 4.623 4.350 -0.001 0.000 0.278 325 E C 0.189 176.756 176.600 -0.056 0.000 1.049 325 E CA 0.541 56.879 56.400 -0.104 0.000 0.876 325 E CB 1.556 31.210 29.700 -0.077 0.000 1.035 325 E HN 0.703 nan 8.360 nan 0.000 0.419 326 S N 2.130 117.807 115.700 -0.038 0.000 2.572 326 S HA 0.282 4.752 4.470 -0.001 0.000 0.279 326 S C 0.841 175.454 174.600 0.022 0.000 1.341 326 S CA 0.268 58.495 58.200 0.045 0.000 1.043 326 S CB 0.982 64.272 63.200 0.151 0.000 0.887 326 S HN 0.549 nan 8.310 nan 0.000 0.516 327 A N 3.908 126.750 122.820 0.037 0.000 1.909 327 A HA 0.683 5.003 4.320 -0.001 0.000 0.210 327 A C 0.999 178.589 177.584 0.011 0.000 1.273 327 A CA 0.654 52.700 52.037 0.015 0.000 0.654 327 A CB -0.573 18.436 19.000 0.015 0.000 0.945 327 A HN 1.382 nan 8.150 nan 0.000 0.471 328 G N -3.029 105.788 108.800 0.029 0.000 2.519 328 G HA2 0.394 4.354 3.960 -0.001 0.000 0.292 328 G HA3 0.394 4.354 3.960 -0.001 0.000 0.292 328 G C 0.227 175.146 174.900 0.032 0.000 1.507 328 G CA 0.406 45.507 45.100 0.003 0.000 0.806 328 G HN 0.018 nan 8.290 nan 0.000 0.523 329 T N 0.675 115.218 114.554 -0.018 0.000 2.594 329 T HA -0.229 4.121 4.350 -0.001 0.000 0.266 329 T C 2.429 177.169 174.700 0.065 0.000 1.070 329 T CA 2.263 64.377 62.100 0.024 0.000 1.166 329 T CB -0.163 68.681 68.868 -0.039 0.000 0.862 329 T HN 0.459 nan 8.240 nan 0.000 0.436 330 Q N 0.519 120.336 119.800 0.028 0.000 2.016 330 Q HA -0.073 4.266 4.340 -0.001 0.000 0.200 330 Q C 2.475 178.491 176.000 0.026 0.000 0.978 330 Q CA 1.396 57.213 55.803 0.025 0.000 0.833 330 Q CB -0.503 28.241 28.738 0.010 0.000 0.895 330 Q HN 0.564 nan 8.270 nan 0.000 0.427 331 E N 1.300 121.514 120.200 0.024 0.000 2.049 331 E HA -0.185 4.165 4.350 -0.001 0.000 0.198 331 E C 1.731 178.346 176.600 0.025 0.000 1.007 331 E CA 1.501 57.913 56.400 0.020 0.000 0.809 331 E CB -0.375 29.335 29.700 0.017 0.000 0.749 331 E HN 0.310 nan 8.360 nan 0.000 0.450 332 D N 0.021 120.452 120.400 0.052 0.000 2.116 332 D HA -0.177 4.463 4.640 -0.001 0.000 0.193 332 D C 1.819 178.122 176.300 0.004 0.000 0.998 332 D CA 1.797 55.827 54.000 0.050 0.000 0.836 332 D CB -0.504 40.386 40.800 0.149 0.000 0.951 332 D HN 0.245 nan 8.370 nan 0.000 0.449 333 A N 0.758 123.594 122.820 0.026 0.000 1.877 333 A HA -0.023 4.297 4.320 -0.001 0.000 0.216 333 A C 2.297 179.870 177.584 -0.018 0.000 1.186 333 A CA 2.309 54.346 52.037 -0.001 0.000 0.620 333 A CB -0.841 18.174 19.000 0.024 0.000 0.822 333 A HN 0.240 nan 8.150 nan 0.000 0.443 334 A N -0.247 122.570 122.820 -0.005 0.000 1.933 334 A HA 0.182 4.501 4.320 -0.001 0.000 0.218 334 A C 2.473 180.049 177.584 -0.013 0.000 1.175 334 A CA 2.029 54.062 52.037 -0.007 0.000 0.628 334 A CB -0.911 18.089 19.000 -0.000 0.000 0.814 334 A HN 1.003 nan 8.150 nan 0.000 0.444 335 A N -0.387 122.423 122.820 -0.018 0.000 1.873 335 A HA -0.018 4.302 4.320 -0.001 0.000 0.215 335 A C 2.198 179.758 177.584 -0.040 0.000 1.186 335 A CA 1.376 53.402 52.037 -0.019 0.000 0.616 335 A CB -0.642 18.348 19.000 -0.017 0.000 0.823 335 A HN 0.495 nan 8.150 nan 0.000 0.442 336 L N -1.091 120.058 121.223 -0.123 0.000 2.012 336 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 336 L C 2.853 179.693 176.870 -0.051 0.000 1.073 336 L CA 1.876 56.569 54.840 -0.244 0.000 0.748 336 L CB -0.280 41.565 42.059 -0.358 0.000 0.891 336 L HN 0.367 nan 8.230 nan 0.000 0.431 337 R N -0.698 119.782 120.500 -0.034 0.000 2.091 337 R HA -0.187 4.153 4.340 -0.001 0.000 0.238 337 R C 2.270 178.572 176.300 0.003 0.000 1.136 337 R CA 1.609 57.709 56.100 -0.001 0.000 0.959 337 R CB -0.450 29.845 30.300 -0.009 0.000 0.856 337 R HN 0.507 nan 8.270 nan 0.000 0.437 338 A N -0.132 122.689 122.820 0.003 0.000 1.933 338 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 338 A C 1.985 179.558 177.584 -0.018 0.000 1.175 338 A CA 1.216 53.247 52.037 -0.010 0.000 0.628 338 A CB -0.702 18.298 19.000 -0.000 0.000 0.814 338 A HN 0.462 nan 8.150 nan 0.000 0.444 339 F N 1.473 121.341 119.950 -0.136 0.000 2.134 339 F HA -0.157 4.370 4.527 -0.001 0.000 0.299 339 F C 2.304 177.990 175.800 -0.190 0.000 1.097 339 F CA 2.265 60.166 58.000 -0.165 0.000 1.264 339 F CB -0.572 38.314 39.000 -0.190 0.000 1.001 339 F HN 0.191 nan 8.300 nan 0.000 0.479 340 T N 0.192 114.696 114.554 -0.084 0.000 2.867 340 T HA -0.127 4.223 4.350 -0.001 0.000 0.268 340 T C 1.687 176.285 174.700 -0.171 0.000 1.057 340 T CA 1.341 63.379 62.100 -0.103 0.000 1.136 340 T CB -0.210 68.746 68.868 0.146 0.000 0.874 340 T HN 0.248 nan 8.240 nan 0.000 0.466 341 E N 1.318 121.426 120.200 -0.152 0.000 2.150 341 E HA 0.037 4.387 4.350 -0.001 0.000 0.193 341 E C 2.506 178.943 176.600 -0.272 0.000 0.985 341 E CA 0.937 57.243 56.400 -0.156 0.000 0.814 341 E CB -0.487 29.148 29.700 -0.108 0.000 0.752 341 E HN 0.517 nan 8.360 nan 0.000 0.466 342 A N 1.511 124.101 122.820 -0.385 0.000 1.845 342 A HA -0.171 4.148 4.320 -0.001 0.000 0.215 342 A C 2.217 179.339 177.584 -0.769 0.000 1.195 342 A CA 1.588 53.258 52.037 -0.612 0.000 0.616 342 A CB -0.410 18.244 19.000 -0.577 0.000 0.832 342 A HN 0.110 nan 8.150 nan 0.000 0.443 343 M N -0.073 119.127 119.600 -0.666 0.000 2.082 343 M HA -0.138 4.342 4.480 -0.001 0.000 0.258 343 M C 2.220 178.404 176.300 -0.194 0.000 1.069 343 M CA 2.212 57.249 55.300 -0.438 0.000 1.102 343 M CB -2.115 30.126 32.600 -0.598 0.000 1.336 343 M HN 0.489 nan 8.290 nan 0.000 0.404 344 T N 0.123 114.574 114.554 -0.171 0.000 2.684 344 T HA -0.167 4.183 4.350 -0.001 0.000 0.267 344 T C 2.010 176.656 174.700 -0.089 0.000 1.036 344 T CA 1.362 63.414 62.100 -0.080 0.000 1.148 344 T CB -0.240 68.585 68.868 -0.072 0.000 0.863 344 T HN 0.386 nan 8.240 nan 0.000 0.436 345 R N -0.123 120.272 120.500 -0.175 0.000 2.096 345 R HA -0.045 4.295 4.340 -0.001 0.000 0.235 345 R C 1.821 178.109 176.300 -0.019 0.000 1.127 345 R CA 1.095 57.115 56.100 -0.134 0.000 0.968 345 R CB -0.283 29.889 30.300 -0.215 0.000 0.861 345 R HN 0.417 nan 8.270 nan 0.000 0.440 346 Y N 0.272 120.522 120.300 -0.084 0.000 2.553 346 Y HA 0.049 4.599 4.550 -0.001 0.000 0.303 346 Y C 0.884 176.741 175.900 -0.071 0.000 1.194 346 Y CA -0.137 57.907 58.100 -0.093 0.000 1.305 346 Y CB -0.387 38.048 38.460 -0.041 0.000 1.045 346 Y HN -0.003 nan 8.280 nan 0.000 0.514 347 S N -0.441 115.309 115.700 0.082 0.000 3.990 347 S HA -0.093 4.377 4.470 -0.001 0.000 0.346 347 S C -0.066 174.562 174.600 0.047 0.000 1.030 347 S CA 0.450 58.682 58.200 0.053 0.000 1.011 347 S CB -1.456 61.765 63.200 0.035 0.000 0.863 347 S HN 0.719 nan 8.310 nan 0.000 0.485 348 A N 1.717 124.577 122.820 0.067 0.000 3.453 348 A HA 0.580 4.899 4.320 -0.001 0.000 0.262 348 A C -2.062 175.632 177.584 0.184 0.000 1.026 348 A CA -0.660 51.449 52.037 0.119 0.000 0.938 348 A CB 0.818 19.923 19.000 0.176 0.000 1.246 348 A HN 0.463 nan 8.150 nan 0.000 0.546 349 P HA 0.195 nan 4.420 nan 0.000 0.269 349 P C -2.857 174.500 177.300 0.096 0.000 1.217 349 P CA -0.592 62.552 63.100 0.073 0.000 0.783 349 P CB 0.268 31.944 31.700 -0.039 0.000 0.898 350 P HA 0.137 nan 4.420 nan 0.000 0.282 350 P C 0.567 177.794 177.300 -0.121 0.000 1.249 350 P CA -0.049 62.959 63.100 -0.154 0.000 0.806 350 P CB 1.144 32.775 31.700 -0.114 0.000 0.984 351 G N 2.180 110.888 108.800 -0.153 0.000 2.664 351 G HA2 0.028 3.988 3.960 -0.001 0.000 0.216 351 G HA3 0.028 3.988 3.960 -0.001 0.000 0.216 351 G C -0.018 174.833 174.900 -0.082 0.000 1.243 351 G CA 0.174 45.225 45.100 -0.082 0.000 0.859 351 G HN 0.448 nan 8.290 nan 0.000 0.574 352 D N 1.448 121.791 120.400 -0.095 0.000 2.264 352 D HA 0.379 5.019 4.640 -0.001 0.000 0.249 352 D C -2.503 173.750 176.300 -0.079 0.000 1.070 352 D CA -1.168 52.792 54.000 -0.066 0.000 0.912 352 D CB 1.461 42.233 40.800 -0.047 0.000 1.193 352 D HN -0.022 nan 8.370 nan 0.000 0.427 353 P HA 0.161 nan 4.420 nan 0.000 0.271 353 P C -2.340 174.960 177.300 -0.001 0.000 1.226 353 P CA -0.997 62.092 63.100 -0.018 0.000 0.765 353 P CB -0.045 31.651 31.700 -0.008 0.000 0.835 354 P HA 0.040 nan 4.420 nan 0.000 0.270 354 P C -0.698 176.605 177.300 0.005 0.000 1.242 354 P CA 0.138 63.279 63.100 0.069 0.000 0.768 354 P CB 0.594 32.413 31.700 0.198 0.000 0.820 355 Q N 4.710 124.524 119.800 0.024 0.000 2.290 355 Q HA 0.368 4.707 4.340 -0.001 0.000 0.259 355 Q C -2.146 173.856 176.000 0.003 0.000 0.941 355 Q CA -2.201 53.606 55.803 0.006 0.000 0.912 355 Q CB 1.465 30.216 28.738 0.021 0.000 1.244 355 Q HN 0.427 nan 8.270 nan 0.000 0.441 356 P HA 0.158 nan 4.420 nan 0.000 0.276 356 P C -0.444 176.748 177.300 -0.181 0.000 1.243 356 P CA -0.197 62.836 63.100 -0.112 0.000 0.768 356 P CB 1.256 32.861 31.700 -0.159 0.000 0.856 357 E N 2.488 122.580 120.200 -0.179 0.000 2.202 357 E HA 0.235 4.585 4.350 -0.001 0.000 0.272 357 E C -0.399 176.063 176.600 -0.230 0.000 0.951 357 E CA -0.522 55.802 56.400 -0.127 0.000 0.813 357 E CB 1.130 30.819 29.700 -0.019 0.000 1.151 357 E HN 0.447 nan 8.360 nan 0.000 0.398 358 Y N -0.187 120.255 120.300 0.235 0.000 2.588 358 Y HA 0.168 4.718 4.550 -0.001 0.000 0.247 358 Y C 0.031 176.184 175.900 0.422 0.000 1.157 358 Y CA -0.459 57.850 58.100 0.348 0.000 1.215 358 Y CB 1.004 39.574 38.460 0.183 0.000 1.245 358 Y HN 0.272 nan 8.280 nan 0.000 0.534 359 D N -0.019 120.518 120.400 0.229 0.000 2.575 359 D HA 0.129 4.769 4.640 -0.001 0.000 0.250 359 D C 0.651 176.655 176.300 -0.493 0.000 1.279 359 D CA -0.395 53.573 54.000 -0.054 0.000 0.925 359 D CB 1.359 42.162 40.800 0.005 0.000 1.261 359 D HN 0.028 nan 8.370 nan 0.000 0.567 360 L N 3.963 124.478 121.223 -1.180 0.000 2.051 360 L HA -0.157 4.183 4.340 -0.001 0.000 0.214 360 L C 1.607 178.144 176.870 -0.555 0.000 1.076 360 L CA 2.034 56.141 54.840 -1.221 0.000 0.758 360 L CB -0.369 40.841 42.059 -1.414 0.000 0.890 360 L HN 0.600 nan 8.230 nan 0.000 0.433 361 E N -0.929 119.044 120.200 -0.378 0.000 2.265 361 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 361 E C 2.188 178.691 176.600 -0.162 0.000 0.996 361 E CA 1.063 57.331 56.400 -0.219 0.000 0.832 361 E CB -0.166 29.449 29.700 -0.141 0.000 0.756 361 E HN 0.569 nan 8.360 nan 0.000 0.491 362 L N 0.690 121.816 121.223 -0.161 0.000 2.179 362 L HA 0.036 4.376 4.340 -0.001 0.000 0.208 362 L C 1.292 178.110 176.870 -0.088 0.000 1.096 362 L CA 0.168 54.952 54.840 -0.094 0.000 0.779 362 L CB -0.115 41.911 42.059 -0.055 0.000 0.922 362 L HN 0.048 nan 8.230 nan 0.000 0.443 363 I N 0.314 120.807 120.570 -0.130 0.000 2.752 363 I HA -0.046 4.124 4.170 -0.001 0.000 0.287 363 I C -0.063 176.009 176.117 -0.074 0.000 1.188 363 I CA 0.687 61.932 61.300 -0.090 0.000 1.427 363 I CB 0.559 38.487 38.000 -0.120 0.000 1.365 363 I HN 0.016 nan 8.210 nan 0.000 0.585 364 T N 4.513 119.046 114.554 -0.034 0.000 2.892 364 T HA 0.352 4.702 4.350 -0.001 0.000 0.311 364 T C -0.374 174.326 174.700 -0.001 0.000 1.033 364 T CA -0.717 61.372 62.100 -0.018 0.000 0.991 364 T CB 0.974 69.839 68.868 -0.004 0.000 0.981 364 T HN 0.717 nan 8.240 nan 0.000 0.457 365 S N 0.779 116.476 115.700 -0.005 0.000 2.500 365 S HA 0.485 4.954 4.470 -0.001 0.000 0.301 365 S C 0.499 175.111 174.600 0.021 0.000 1.092 365 S CA -0.671 57.530 58.200 0.001 0.000 1.030 365 S CB 0.821 64.007 63.200 -0.024 0.000 1.031 365 S HN 0.898 nan 8.310 nan 0.000 0.483 366 C N 2.240 121.557 119.300 0.028 0.000 4.365 366 C HA -0.179 4.280 4.460 -0.001 0.000 0.299 366 C C 1.368 176.423 174.990 0.108 0.000 1.409 366 C CA 0.712 59.765 59.018 0.058 0.000 2.007 366 C CB -3.251 24.514 27.740 0.042 0.000 1.264 366 C HN 1.565 nan 8.230 nan 0.000 0.777 367 S N -2.028 113.726 115.700 0.090 0.000 3.261 367 S HA -0.197 4.273 4.470 -0.001 0.000 0.287 367 S C 0.274 174.945 174.600 0.118 0.000 1.281 367 S CA 1.337 59.598 58.200 0.100 0.000 1.053 367 S CB -0.950 62.329 63.200 0.133 0.000 1.251 367 S HN 1.040 nan 8.310 nan 0.000 0.659 368 S N 1.894 117.663 115.700 0.115 0.000 2.634 368 S HA 0.805 5.275 4.470 -0.001 0.000 0.296 368 S C -0.321 174.302 174.600 0.039 0.000 1.104 368 S CA -0.861 57.417 58.200 0.131 0.000 0.920 368 S CB 1.842 65.165 63.200 0.206 0.000 1.111 368 S HN 0.592 nan 8.310 nan 0.000 0.493 369 N N -0.817 117.887 118.700 0.007 0.000 2.610 369 N HA 0.473 5.213 4.740 -0.001 0.000 0.264 369 N C -1.501 173.940 175.510 -0.115 0.000 1.348 369 N CA -0.589 52.422 53.050 -0.066 0.000 0.819 369 N CB 0.893 39.336 38.487 -0.074 0.000 1.521 369 N HN 0.344 nan 8.380 nan 0.000 0.497 370 V N 0.076 119.894 119.914 -0.159 0.000 2.785 370 V HA 0.606 4.726 4.120 -0.001 0.000 0.300 370 V C 0.440 176.410 176.094 -0.207 0.000 1.062 370 V CA -0.164 62.025 62.300 -0.185 0.000 1.029 370 V CB 1.149 32.863 31.823 -0.183 0.000 1.024 370 V HN 0.896 nan 8.190 nan 0.000 0.477 371 S N 1.839 117.374 115.700 -0.275 0.000 2.588 371 S HA 0.758 5.228 4.470 -0.001 0.000 0.269 371 S C -1.384 173.164 174.600 -0.087 0.000 1.157 371 S CA -0.488 57.575 58.200 -0.229 0.000 0.824 371 S CB 1.951 64.926 63.200 -0.374 0.000 1.126 371 S HN 0.452 nan 8.310 nan 0.000 0.464 372 V N 1.516 121.443 119.914 0.021 0.000 2.815 372 V HA 1.039 5.159 4.120 -0.001 0.000 0.314 372 V C 0.417 176.444 176.094 -0.112 0.000 1.064 372 V CA -0.075 62.174 62.300 -0.086 0.000 0.952 372 V CB 1.230 32.889 31.823 -0.274 0.000 1.020 372 V HN 1.262 nan 8.190 nan 0.000 0.439 373 A N 1.483 124.053 122.820 -0.416 0.000 2.529 373 A HA 0.863 5.183 4.320 -0.001 0.000 0.296 373 A C -1.397 175.655 177.584 -0.888 0.000 1.205 373 A CA -0.605 51.043 52.037 -0.648 0.000 0.671 373 A CB 1.768 20.215 19.000 -0.923 0.000 1.301 373 A HN 0.876 nan 8.150 nan 0.000 0.450 374 H N 0.077 118.804 119.070 -0.570 0.000 2.768 374 H HA 0.434 4.990 4.556 -0.001 0.000 0.371 374 H C -1.098 173.993 175.328 -0.394 0.000 1.151 374 H CA -0.226 55.545 56.048 -0.461 0.000 1.165 374 H CB 1.929 31.402 29.762 -0.481 0.000 1.722 374 H HN 0.924 nan 8.280 nan 0.000 0.543 375 D N 0.511 120.878 120.400 -0.055 0.000 2.496 375 D HA 0.280 4.919 4.640 -0.001 0.000 0.283 375 D C 1.455 177.875 176.300 0.201 0.000 1.214 375 D CA -0.342 53.685 54.000 0.045 0.000 1.089 375 D CB 0.194 40.998 40.800 0.008 0.000 1.141 375 D HN 0.429 nan 8.370 nan 0.000 0.580 376 A N -0.482 122.423 122.820 0.143 0.000 1.917 376 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 376 A C 2.079 179.722 177.584 0.098 0.000 1.182 376 A CA 1.977 54.078 52.037 0.107 0.000 0.633 376 A CB -1.098 17.937 19.000 0.059 0.000 0.819 376 A HN 0.435 nan 8.150 nan 0.000 0.448 377 S N -1.779 113.970 115.700 0.081 0.000 2.603 377 S HA 0.339 4.809 4.470 -0.001 0.000 0.220 377 S C 1.486 176.129 174.600 0.071 0.000 0.967 377 S CA 0.937 59.173 58.200 0.061 0.000 0.920 377 S CB 0.001 63.226 63.200 0.041 0.000 0.773 377 S HN 1.630 nan 8.310 nan 0.000 0.529 378 G N 1.874 110.743 108.800 0.114 0.000 2.199 378 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.254 378 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.254 378 G C 0.143 175.131 174.900 0.146 0.000 0.982 378 G CA 0.281 45.437 45.100 0.093 0.000 0.632 378 G HN 0.512 nan 8.290 nan 0.000 0.529 379 K N 1.131 121.581 120.400 0.083 0.000 2.436 379 K HA 0.302 4.622 4.320 -0.001 0.000 0.275 379 K C 0.757 177.337 176.600 -0.032 0.000 0.999 379 K CA -0.385 55.924 56.287 0.037 0.000 0.980 379 K CB 0.218 32.721 32.500 0.005 0.000 0.919 379 K HN 0.378 nan 8.250 nan 0.000 0.484 380 R N 2.010 122.436 120.500 -0.124 0.000 2.438 380 R HA 0.207 4.546 4.340 -0.001 0.000 0.287 380 R C -0.763 175.294 176.300 -0.405 0.000 1.077 380 R CA -0.522 55.328 56.100 -0.417 0.000 1.034 380 R CB 0.994 31.029 30.300 -0.442 0.000 0.993 380 R HN 0.246 nan 8.270 nan 0.000 0.459 381 V N 4.605 124.227 119.914 -0.487 0.000 2.482 381 V HA 0.198 4.318 4.120 -0.001 0.000 0.295 381 V C -0.987 174.941 176.094 -0.277 0.000 1.026 381 V CA -0.925 61.190 62.300 -0.308 0.000 0.856 381 V CB 1.067 32.761 31.823 -0.215 0.000 1.001 381 V HN 0.591 nan 8.190 nan 0.000 0.424 382 Y N 5.688 125.967 120.300 -0.036 0.000 2.377 382 Y HA 0.520 5.070 4.550 -0.000 0.000 0.330 382 Y C 0.136 176.092 175.900 0.093 0.000 1.108 382 Y CA -0.046 58.053 58.100 -0.001 0.000 1.308 382 Y CB 0.598 39.025 38.460 -0.055 0.000 1.216 382 Y HN 0.732 nan 8.280 nan 0.000 0.518 383 Y N 0.919 121.247 120.300 0.048 0.000 2.609 383 Y HA 0.728 5.277 4.550 -0.000 0.000 0.342 383 Y C -2.102 173.835 175.900 0.062 0.000 1.058 383 Y CA -2.259 55.858 58.100 0.027 0.000 1.055 383 Y CB 0.727 39.170 38.460 -0.027 0.000 1.292 383 Y HN 0.412 nan 8.280 nan 0.000 0.476 384 L N 2.211 123.453 121.223 0.031 0.000 2.275 384 L HA 0.720 5.060 4.340 -0.001 0.000 0.288 384 L C 0.056 177.010 176.870 0.141 0.000 1.046 384 L CA 0.409 55.244 54.840 -0.008 0.000 0.805 384 L CB 1.263 43.356 42.059 0.058 0.000 1.193 384 L HN 1.058 nan 8.230 nan 0.000 0.426 385 T N 4.365 118.962 114.554 0.072 0.000 2.669 385 T HA 0.891 5.240 4.350 -0.001 0.000 0.283 385 T C -1.302 173.509 174.700 0.185 0.000 1.019 385 T CA -0.542 61.700 62.100 0.235 0.000 1.039 385 T CB 1.168 70.101 68.868 0.108 0.000 1.374 385 T HN 0.817 nan 8.240 nan 0.000 0.523 386 R N 0.344 120.924 120.500 0.133 0.000 2.774 386 R HA 0.369 4.708 4.340 -0.001 0.000 0.279 386 R C -1.776 174.420 176.300 -0.173 0.000 1.022 386 R CA -0.964 55.123 56.100 -0.021 0.000 0.855 386 R CB 0.143 30.408 30.300 -0.058 0.000 1.279 386 R HN 0.540 nan 8.270 nan 0.000 0.485 387 D N 2.049 122.332 120.400 -0.194 0.000 2.450 387 D HA 0.062 4.701 4.640 -0.001 0.000 0.247 387 D C -1.365 174.629 176.300 -0.510 0.000 1.162 387 D CA -1.312 52.522 54.000 -0.276 0.000 0.879 387 D CB 1.263 41.963 40.800 -0.165 0.000 1.163 387 D HN 0.368 nan 8.370 nan 0.000 0.472 388 P HA -0.007 nan 4.420 nan 0.000 0.249 388 P C 1.132 178.089 177.300 -0.572 0.000 1.229 388 P CA 0.090 62.520 63.100 -1.118 0.000 0.788 388 P CB 0.343 31.060 31.700 -1.639 0.000 1.072 389 T N 0.400 114.749 114.554 -0.340 0.000 2.570 389 T HA -0.170 4.180 4.350 -0.001 0.000 0.266 389 T C 1.795 176.415 174.700 -0.133 0.000 1.071 389 T CA 2.687 64.680 62.100 -0.178 0.000 1.172 389 T CB -1.270 67.543 68.868 -0.092 0.000 0.864 389 T HN 0.203 nan 8.240 nan 0.000 0.421 390 T N 2.411 116.901 114.554 -0.107 0.000 2.652 390 T HA -0.085 4.264 4.350 -0.001 0.000 0.267 390 T C -0.476 174.161 174.700 -0.105 0.000 1.039 390 T CA 1.578 63.629 62.100 -0.080 0.000 1.153 390 T CB -1.371 67.480 68.868 -0.029 0.000 0.863 390 T HN 0.345 nan 8.240 nan 0.000 0.428 391 P HA -0.052 nan 4.420 nan 0.000 0.216 391 P C 1.565 178.873 177.300 0.014 0.000 1.153 391 P CA 1.003 64.075 63.100 -0.047 0.000 0.858 391 P CB -0.204 31.406 31.700 -0.151 0.000 0.789 392 L N -1.255 119.920 121.223 -0.080 0.000 2.027 392 L HA -0.167 4.173 4.340 -0.001 0.000 0.206 392 L C 2.534 179.418 176.870 0.024 0.000 1.074 392 L CA 1.589 56.414 54.840 -0.026 0.000 0.745 392 L CB -1.304 40.696 42.059 -0.098 0.000 0.898 392 L HN -0.058 nan 8.230 nan 0.000 0.433 393 A N 0.341 123.162 122.820 0.002 0.000 1.917 393 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 393 A C 2.362 180.003 177.584 0.096 0.000 1.182 393 A CA 1.932 53.993 52.037 0.040 0.000 0.633 393 A CB -0.564 18.430 19.000 -0.011 0.000 0.819 393 A HN 0.376 nan 8.150 nan 0.000 0.448 394 R N -0.792 119.744 120.500 0.060 0.000 2.115 394 R HA 0.057 4.397 4.340 -0.001 0.000 0.226 394 R C 2.452 178.924 176.300 0.287 0.000 1.100 394 R CA 0.913 57.087 56.100 0.123 0.000 0.980 394 R CB -0.398 29.918 30.300 0.026 0.000 0.875 394 R HN 0.523 nan 8.270 nan 0.000 0.445 395 A N 1.601 124.598 122.820 0.295 0.000 1.877 395 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 395 A C 2.407 180.193 177.584 0.337 0.000 1.186 395 A CA 1.628 53.935 52.037 0.450 0.000 0.620 395 A CB -0.678 18.580 19.000 0.429 0.000 0.822 395 A HN 0.361 nan 8.150 nan 0.000 0.443 396 A N -0.970 121.961 122.820 0.186 0.000 1.865 396 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 396 A C 2.131 179.832 177.584 0.194 0.000 1.191 396 A CA 1.587 53.701 52.037 0.128 0.000 0.623 396 A CB -1.090 17.972 19.000 0.104 0.000 0.826 396 A HN 0.847 nan 8.150 nan 0.000 0.444 397 W N 0.897 122.247 121.300 0.082 0.000 2.315 397 W HA -0.212 4.448 4.660 -0.000 0.000 0.323 397 W C 1.753 178.342 176.519 0.116 0.000 1.233 397 W CA 2.196 59.587 57.345 0.078 0.000 1.267 397 W CB -0.642 28.846 29.460 0.047 0.000 1.160 397 W HN 0.546 nan 8.180 nan 0.000 0.474 398 E N -0.694 119.791 120.200 0.474 0.000 2.396 398 E HA -0.171 4.179 4.350 -0.001 0.000 0.200 398 E C 1.926 178.705 176.600 0.299 0.000 1.023 398 E CA 1.675 58.327 56.400 0.420 0.000 0.857 398 E CB -0.052 29.962 29.700 0.524 0.000 0.775 398 E HN 0.184 nan 8.360 nan 0.000 0.525 399 T N -0.455 114.234 114.554 0.225 0.000 3.010 399 T HA 0.075 4.425 4.350 -0.001 0.000 0.252 399 T C 1.823 176.526 174.700 0.005 0.000 1.047 399 T CA 0.764 62.958 62.100 0.157 0.000 1.140 399 T CB 0.163 69.138 68.868 0.178 0.000 0.885 399 T HN 0.212 nan 8.240 nan 0.000 0.464 400 A N 1.243 124.016 122.820 -0.079 0.000 2.021 400 A HA 0.240 4.559 4.320 -0.001 0.000 0.216 400 A C 1.121 178.567 177.584 -0.231 0.000 1.163 400 A CA 0.461 52.388 52.037 -0.183 0.000 0.676 400 A CB 0.103 18.940 19.000 -0.272 0.000 0.818 400 A HN 0.330 nan 8.150 nan 0.000 0.453 401 R N -1.049 119.314 120.500 -0.229 0.000 2.686 401 R HA 0.410 4.750 4.340 -0.001 0.000 0.283 401 R C -1.345 174.987 176.300 0.054 0.000 0.978 401 R CA -0.599 55.413 56.100 -0.146 0.000 0.897 401 R CB 1.323 31.474 30.300 -0.248 0.000 1.192 401 R HN 0.483 nan 8.270 nan 0.000 0.457 402 H N 1.351 120.441 119.070 0.035 0.000 2.878 402 H HA 0.119 4.675 4.556 -0.001 0.000 0.290 402 H C -0.048 175.335 175.328 0.092 0.000 1.065 402 H CA 0.010 56.102 56.048 0.073 0.000 1.477 402 H CB 0.784 30.572 29.762 0.044 0.000 1.484 402 H HN 0.529 nan 8.280 nan 0.000 0.504 403 T N 1.431 116.149 114.554 0.273 0.000 2.940 403 T HA 0.187 4.537 4.350 -0.001 0.000 0.288 403 T C -1.612 173.138 174.700 0.083 0.000 1.033 403 T CA -2.038 60.174 62.100 0.187 0.000 1.033 403 T CB 1.742 70.758 68.868 0.247 0.000 1.079 403 T HN 0.325 nan 8.240 nan 0.000 0.496 404 P HA 0.096 nan 4.420 nan 0.000 0.215 404 P C 0.059 177.363 177.300 0.006 0.000 1.153 404 P CA 0.815 63.902 63.100 -0.022 0.000 0.853 404 P CB 0.130 31.813 31.700 -0.029 0.000 0.788 405 I N -0.586 119.992 120.570 0.014 0.000 2.603 405 I HA 0.199 4.369 4.170 -0.001 0.000 0.300 405 I C -0.084 176.024 176.117 -0.015 0.000 1.017 405 I CA -0.787 60.504 61.300 -0.016 0.000 1.098 405 I CB 1.529 39.513 38.000 -0.026 0.000 1.279 405 I HN -0.124 nan 8.210 nan 0.000 0.437 406 N N 3.395 122.016 118.700 -0.132 0.000 2.816 406 N HA 0.081 4.820 4.740 -0.001 0.000 0.236 406 N C 1.091 176.392 175.510 -0.349 0.000 1.076 406 N CA -0.062 52.825 53.050 -0.272 0.000 0.902 406 N CB 1.387 39.483 38.487 -0.652 0.000 1.149 406 N HN 0.592 nan 8.380 nan 0.000 0.506 407 S N 1.103 116.754 115.700 -0.083 0.000 2.419 407 S HA -0.137 4.332 4.470 -0.001 0.000 0.235 407 S C 1.755 176.364 174.600 0.015 0.000 1.019 407 S CA 0.382 58.571 58.200 -0.018 0.000 0.982 407 S CB -0.411 62.824 63.200 0.058 0.000 0.789 407 S HN 0.785 nan 8.310 nan 0.000 0.490 408 W N 1.046 122.326 121.300 -0.032 0.000 2.402 408 W HA 0.103 4.762 4.660 -0.000 0.000 0.286 408 W C 1.616 178.082 176.519 -0.089 0.000 1.221 408 W CA 0.230 57.535 57.345 -0.067 0.000 1.257 408 W CB -0.924 28.326 29.460 -0.351 0.000 1.120 408 W HN 0.348 nan 8.180 nan 0.000 0.551 409 L N 2.767 123.340 121.223 -1.082 0.000 2.156 409 L HA 0.175 4.515 4.340 -0.001 0.000 0.208 409 L C 2.577 179.273 176.870 -0.290 0.000 1.095 409 L CA 2.590 56.885 54.840 -0.909 0.000 0.770 409 L CB -1.163 40.179 42.059 -1.195 0.000 0.914 409 L HN 0.033 nan 8.230 nan 0.000 0.439 410 G N -1.040 107.630 108.800 -0.217 0.000 2.403 410 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.216 410 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.216 410 G C 1.439 176.382 174.900 0.073 0.000 1.154 410 G CA 0.501 45.562 45.100 -0.064 0.000 0.784 410 G HN 0.384 nan 8.290 nan 0.000 0.538 411 N N 0.599 119.406 118.700 0.177 0.000 2.188 411 N HA 0.007 4.746 4.740 -0.001 0.000 0.184 411 N C 2.219 177.930 175.510 0.335 0.000 1.018 411 N CA 0.487 53.776 53.050 0.398 0.000 0.858 411 N CB -0.124 38.662 38.487 0.498 0.000 0.989 411 N HN 0.316 nan 8.380 nan 0.000 0.426 412 I N 1.137 121.853 120.570 0.244 0.000 2.142 412 I HA -0.248 3.922 4.170 -0.001 0.000 0.240 412 I C 2.021 178.220 176.117 0.137 0.000 1.078 412 I CA 0.987 62.403 61.300 0.193 0.000 1.343 412 I CB -0.203 37.963 38.000 0.276 0.000 1.046 412 I HN 0.046 nan 8.210 nan 0.000 0.405 413 I N 0.045 120.698 120.570 0.138 0.000 2.208 413 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 413 I C 2.325 178.552 176.117 0.182 0.000 1.097 413 I CA 1.303 62.703 61.300 0.166 0.000 1.363 413 I CB -0.272 37.818 38.000 0.150 0.000 1.051 413 I HN 0.288 nan 8.210 nan 0.000 0.413 414 M N -1.080 118.549 119.600 0.049 0.000 2.506 414 M HA -0.035 4.444 4.480 -0.001 0.000 0.260 414 M C 0.720 176.751 176.300 -0.448 0.000 1.104 414 M CA 1.344 56.535 55.300 -0.183 0.000 1.112 414 M CB -0.452 31.938 32.600 -0.350 0.000 1.401 414 M HN 0.215 nan 8.290 nan 0.000 0.473 415 Y N -1.005 119.303 120.300 0.013 0.000 2.719 415 Y HA 0.470 5.020 4.550 -0.001 0.000 0.251 415 Y C 1.775 177.461 175.900 -0.356 0.000 1.159 415 Y CA -0.367 57.629 58.100 -0.173 0.000 1.166 415 Y CB -0.656 37.609 38.460 -0.325 0.000 1.219 415 Y HN 0.148 nan 8.280 nan 0.000 0.551 416 A N 0.924 123.601 122.820 -0.238 0.000 2.042 416 A HA -0.188 4.132 4.320 -0.001 0.000 0.222 416 A C -0.620 176.710 177.584 -0.423 0.000 1.167 416 A CA 1.956 53.799 52.037 -0.323 0.000 0.649 416 A CB -1.232 17.565 19.000 -0.337 0.000 0.809 416 A HN 0.294 nan 8.150 nan 0.000 0.457 417 P HA 0.031 nan 4.420 nan 0.000 0.226 417 P C 0.858 177.954 177.300 -0.339 0.000 1.161 417 P CA 1.204 64.057 63.100 -0.411 0.000 0.804 417 P CB -0.391 31.090 31.700 -0.366 0.000 0.829 418 T N -1.807 112.604 114.554 -0.238 0.000 2.906 418 T HA -0.008 4.341 4.350 -0.001 0.000 0.320 418 T C 1.199 175.559 174.700 -0.566 0.000 1.088 418 T CA -0.410 61.533 62.100 -0.260 0.000 1.120 418 T CB 0.266 68.761 68.868 -0.621 0.000 1.000 418 T HN -0.198 nan 8.240 nan 0.000 0.550 419 L N 2.335 123.168 121.223 -0.650 0.000 1.970 419 L HA 0.006 4.346 4.340 -0.001 0.000 0.212 419 L C 2.559 179.118 176.870 -0.518 0.000 1.071 419 L CA 1.898 56.253 54.840 -0.808 0.000 0.751 419 L CB -1.007 40.555 42.059 -0.828 0.000 0.889 419 L HN 0.949 nan 8.230 nan 0.000 0.432 420 W N -0.593 120.512 121.300 -0.325 0.000 2.363 420 W HA -0.091 4.569 4.660 -0.001 0.000 0.296 420 W C 2.052 178.430 176.519 -0.234 0.000 1.212 420 W CA 0.990 58.163 57.345 -0.286 0.000 1.260 420 W CB -1.606 27.720 29.460 -0.223 0.000 1.131 420 W HN 0.343 nan 8.180 nan 0.000 0.530 421 A N 1.894 124.304 122.820 -0.684 0.000 1.902 421 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 421 A C 2.266 179.723 177.584 -0.212 0.000 1.181 421 A CA 2.083 53.858 52.037 -0.437 0.000 0.623 421 A CB -0.760 17.834 19.000 -0.677 0.000 0.818 421 A HN 0.351 nan 8.150 nan 0.000 0.443 422 R N -1.034 119.261 120.500 -0.340 0.000 2.055 422 R HA 0.096 4.436 4.340 -0.001 0.000 0.226 422 R C 2.266 178.432 176.300 -0.223 0.000 1.135 422 R CA 1.553 57.483 56.100 -0.283 0.000 0.959 422 R CB -0.383 29.611 30.300 -0.511 0.000 0.854 422 R HN 0.481 nan 8.270 nan 0.000 0.431 423 M N -0.003 119.293 119.600 -0.505 0.000 2.319 423 M HA -0.034 4.446 4.480 -0.001 0.000 0.265 423 M C 1.789 178.001 176.300 -0.147 0.000 1.068 423 M CA 1.521 56.590 55.300 -0.385 0.000 1.118 423 M CB 0.069 32.349 32.600 -0.533 0.000 1.395 423 M HN 0.160 nan 8.290 nan 0.000 0.435 424 I N -1.133 119.215 120.570 -0.369 0.000 3.523 424 I HA -0.075 4.095 4.170 -0.001 0.000 0.244 424 I C 2.056 177.987 176.117 -0.309 0.000 1.110 424 I CA 0.102 60.910 61.300 -0.820 0.000 1.517 424 I CB -0.340 37.073 38.000 -0.978 0.000 1.505 424 I HN 0.080 nan 8.210 nan 0.000 0.460 425 L N 0.698 121.911 121.223 -0.017 0.000 2.021 425 L HA -0.279 4.060 4.340 -0.001 0.000 0.215 425 L C 2.722 179.883 176.870 0.486 0.000 1.074 425 L CA 1.873 56.903 54.840 0.316 0.000 0.760 425 L CB -0.500 41.810 42.059 0.419 0.000 0.889 425 L HN 0.339 nan 8.230 nan 0.000 0.433 426 M N -1.147 118.705 119.600 0.420 0.000 2.062 426 M HA -0.173 4.307 4.480 -0.001 0.000 0.259 426 M C 2.356 179.142 176.300 0.811 0.000 1.076 426 M CA 2.171 57.842 55.300 0.619 0.000 1.122 426 M CB -0.881 31.891 32.600 0.288 0.000 1.312 426 M HN 0.241 nan 8.290 nan 0.000 0.412 427 T N -0.773 114.257 114.554 0.793 0.000 2.592 427 T HA -0.299 4.050 4.350 -0.001 0.000 0.267 427 T C 1.670 176.659 174.700 0.483 0.000 1.060 427 T CA 2.351 64.889 62.100 0.731 0.000 1.167 427 T CB -0.853 68.466 68.868 0.753 0.000 0.863 427 T HN 0.469 nan 8.240 nan 0.000 0.431 428 H N 0.467 119.689 119.070 0.253 0.000 2.289 428 H HA -0.098 4.458 4.556 -0.001 0.000 0.296 428 H C 1.868 177.047 175.328 -0.249 0.000 1.091 428 H CA 1.858 57.904 56.048 -0.004 0.000 1.274 428 H CB -0.521 29.048 29.762 -0.321 0.000 1.364 428 H HN 0.385 nan 8.280 nan 0.000 0.490 429 F N -1.240 118.671 119.950 -0.065 0.000 2.234 429 F HA 0.012 4.538 4.527 -0.001 0.000 0.296 429 F C 2.091 177.773 175.800 -0.196 0.000 1.089 429 F CA 0.591 58.371 58.000 -0.367 0.000 1.343 429 F CB -0.675 37.856 39.000 -0.782 0.000 1.040 429 F HN 0.133 nan 8.300 nan 0.000 0.498 430 F N -0.366 119.722 119.950 0.230 0.000 2.234 430 F HA -0.175 4.352 4.527 -0.001 0.000 0.299 430 F C 2.730 178.581 175.800 0.084 0.000 1.087 430 F CA 1.403 59.535 58.000 0.221 0.000 1.340 430 F CB -0.862 38.352 39.000 0.356 0.000 1.031 430 F HN -0.056 nan 8.300 nan 0.000 0.500 431 S N 0.700 116.506 115.700 0.176 0.000 2.351 431 S HA -0.205 4.265 4.470 -0.001 0.000 0.220 431 S C 2.116 176.697 174.600 -0.032 0.000 1.035 431 S CA 1.687 59.910 58.200 0.038 0.000 1.031 431 S CB -0.533 62.665 63.200 -0.004 0.000 0.928 431 S HN 0.347 nan 8.310 nan 0.000 0.433 432 I N 1.189 121.675 120.570 -0.139 0.000 2.394 432 I HA -0.116 4.054 4.170 -0.001 0.000 0.251 432 I C 2.170 178.259 176.117 -0.046 0.000 1.136 432 I CA 0.883 62.099 61.300 -0.141 0.000 1.425 432 I CB -0.290 37.554 38.000 -0.259 0.000 1.079 432 I HN 0.328 nan 8.210 nan 0.000 0.425 433 L N 0.029 121.241 121.223 -0.018 0.000 2.201 433 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 433 L C 2.442 179.341 176.870 0.048 0.000 1.105 433 L CA 0.991 55.842 54.840 0.020 0.000 0.775 433 L CB -0.317 41.730 42.059 -0.020 0.000 0.913 433 L HN 0.288 nan 8.230 nan 0.000 0.440 434 L N -0.321 120.940 121.223 0.063 0.000 1.988 434 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 434 L C 2.862 179.753 176.870 0.035 0.000 1.071 434 L CA 1.209 56.089 54.840 0.067 0.000 0.744 434 L CB -0.701 41.401 42.059 0.072 0.000 0.893 434 L HN 0.205 nan 8.230 nan 0.000 0.433 435 A N -0.527 122.301 122.820 0.013 0.000 2.084 435 A HA -0.246 4.074 4.320 -0.001 0.000 0.221 435 A C 1.889 179.477 177.584 0.006 0.000 1.161 435 A CA 1.732 53.769 52.037 0.000 0.000 0.653 435 A CB -0.393 18.595 19.000 -0.020 0.000 0.802 435 A HN 0.635 nan 8.150 nan 0.000 0.457 436 Q N -1.373 118.436 119.800 0.016 0.000 2.179 436 Q HA 0.217 4.556 4.340 -0.001 0.000 0.213 436 Q C -0.810 175.214 176.000 0.039 0.000 0.833 436 Q CA -0.143 55.675 55.803 0.025 0.000 0.990 436 Q CB 0.433 29.187 28.738 0.027 0.000 1.132 436 Q HN 0.684 nan 8.270 nan 0.000 0.493 437 E N 1.312 121.537 120.200 0.042 0.000 2.149 437 E HA -0.277 4.073 4.350 -0.001 0.000 0.191 437 E C -0.172 176.463 176.600 0.058 0.000 1.384 437 E CA 0.371 56.801 56.400 0.050 0.000 0.698 437 E CB -0.717 29.008 29.700 0.042 0.000 1.086 437 E HN 0.461 nan 8.360 nan 0.000 0.338 438 Q N -0.266 119.574 119.800 0.066 0.000 2.135 438 Q HA 0.189 4.529 4.340 -0.001 0.000 0.222 438 Q C 1.505 177.552 176.000 0.078 0.000 0.808 438 Q CA -0.265 55.584 55.803 0.076 0.000 1.049 438 Q CB 0.550 29.343 28.738 0.093 0.000 1.168 438 Q HN 0.422 nan 8.270 nan 0.000 0.483 439 L N 0.389 121.659 121.223 0.080 0.000 2.349 439 L HA -0.184 4.156 4.340 -0.001 0.000 0.220 439 L C 1.322 178.249 176.870 0.096 0.000 1.130 439 L CA 1.500 56.395 54.840 0.092 0.000 0.791 439 L CB 0.012 42.157 42.059 0.142 0.000 0.918 439 L HN 0.314 nan 8.230 nan 0.000 0.444 440 E N -0.905 119.344 120.200 0.083 0.000 2.489 440 E HA 0.026 4.375 4.350 -0.001 0.000 0.204 440 E C 0.541 177.181 176.600 0.066 0.000 1.006 440 E CA -0.185 56.261 56.400 0.076 0.000 0.936 440 E CB 0.546 30.286 29.700 0.067 0.000 1.002 440 E HN 0.174 nan 8.360 nan 0.000 0.488 441 K N 1.996 122.436 120.400 0.068 0.000 2.383 441 K HA 0.279 4.599 4.320 -0.001 0.000 0.286 441 K C -0.483 176.153 176.600 0.060 0.000 1.051 441 K CA -0.235 56.089 56.287 0.063 0.000 0.974 441 K CB 0.688 33.230 32.500 0.070 0.000 0.968 441 K HN -0.066 nan 8.250 nan 0.000 0.475 442 A N 5.427 128.277 122.820 0.050 0.000 2.440 442 A HA 0.357 4.676 4.320 -0.001 0.000 0.251 442 A C -0.450 177.152 177.584 0.030 0.000 1.089 442 A CA -0.389 51.674 52.037 0.043 0.000 0.779 442 A CB 0.172 19.201 19.000 0.048 0.000 1.022 442 A HN 0.760 nan 8.150 nan 0.000 0.492 443 L N 1.713 122.937 121.223 0.002 0.000 2.354 443 L HA 0.398 4.738 4.340 -0.001 0.000 0.269 443 L C -0.890 175.948 176.870 -0.053 0.000 1.005 443 L CA -1.067 53.755 54.840 -0.030 0.000 0.819 443 L CB 1.966 43.978 42.059 -0.077 0.000 1.311 443 L HN 0.552 nan 8.230 nan 0.000 0.423 444 D N 1.609 121.987 120.400 -0.037 0.000 2.316 444 D HA 0.311 4.950 4.640 -0.001 0.000 0.245 444 D C -0.079 176.160 176.300 -0.103 0.000 1.171 444 D CA -0.144 53.841 54.000 -0.024 0.000 0.856 444 D CB 1.275 42.099 40.800 0.041 0.000 1.090 444 D HN 0.552 nan 8.370 nan 0.000 0.476 445 C N 1.494 120.717 119.300 -0.129 0.000 2.768 445 C HA 0.773 5.233 4.460 -0.001 0.000 0.411 445 C C -0.229 174.697 174.990 -0.108 0.000 1.793 445 C CA -0.689 58.223 59.018 -0.178 0.000 1.747 445 C CB 1.007 28.602 27.740 -0.243 0.000 2.128 445 C HN 0.541 nan 8.230 nan 0.000 0.472 446 Q N -0.128 119.614 119.800 -0.096 0.000 2.284 446 Q HA 0.705 5.044 4.340 -0.001 0.000 0.269 446 Q C -1.809 174.162 176.000 -0.048 0.000 1.026 446 Q CA -0.285 55.480 55.803 -0.062 0.000 0.831 446 Q CB 1.987 30.695 28.738 -0.049 0.000 1.322 446 Q HN 0.780 nan 8.270 nan 0.000 0.419 447 I N 3.601 124.155 120.570 -0.027 0.000 2.447 447 I HA 0.264 4.434 4.170 -0.001 0.000 0.287 447 I C -1.027 175.119 176.117 0.049 0.000 1.023 447 I CA -0.830 60.411 61.300 -0.099 0.000 1.083 447 I CB 1.234 39.052 38.000 -0.304 0.000 1.245 447 I HN 0.716 nan 8.210 nan 0.000 0.434 448 Y N 5.619 125.999 120.300 0.135 0.000 3.001 448 Y HA -0.254 4.296 4.550 -0.000 0.000 0.199 448 Y C 1.471 177.368 175.900 -0.005 0.000 1.320 448 Y CA 1.086 59.252 58.100 0.110 0.000 0.974 448 Y CB -1.942 36.589 38.460 0.119 0.000 1.291 448 Y HN 1.003 nan 8.280 nan 0.000 0.465 449 G N -1.560 107.331 108.800 0.151 0.000 2.609 449 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.235 449 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.235 449 G C 0.700 175.589 174.900 -0.018 0.000 1.177 449 G CA 0.294 45.434 45.100 0.067 0.000 0.707 449 G HN 1.715 nan 8.290 nan 0.000 0.513 450 A N 0.124 122.915 122.820 -0.049 0.000 2.520 450 A HA 0.470 4.789 4.320 -0.001 0.000 0.245 450 A C 0.873 178.164 177.584 -0.488 0.000 1.072 450 A CA 0.843 52.651 52.037 -0.382 0.000 0.761 450 A CB 0.244 18.901 19.000 -0.571 0.000 1.004 450 A HN 1.731 nan 8.150 nan 0.000 0.499 451 C N 4.301 123.267 119.300 -0.556 0.000 2.325 451 C HA 0.703 5.162 4.460 -0.001 0.000 0.347 451 C C -0.739 173.804 174.990 -0.746 0.000 1.263 451 C CA -0.570 58.207 59.018 -0.401 0.000 1.806 451 C CB -1.573 26.108 27.740 -0.098 0.000 2.405 451 C HN 0.664 nan 8.230 nan 0.000 0.537 452 Y N 3.069 123.129 120.300 -0.401 0.000 2.468 452 Y HA 0.490 5.040 4.550 -0.001 0.000 0.342 452 Y C 0.582 176.332 175.900 -0.251 0.000 1.021 452 Y CA -0.229 57.590 58.100 -0.469 0.000 1.079 452 Y CB 1.806 39.925 38.460 -0.567 0.000 1.226 452 Y HN 0.610 nan 8.280 nan 0.000 0.460 453 S N 3.621 119.302 115.700 -0.032 0.000 2.442 453 S HA 0.754 5.224 4.470 -0.001 0.000 0.297 453 S C -0.962 173.672 174.600 0.055 0.000 1.131 453 S CA -0.372 57.858 58.200 0.049 0.000 1.092 453 S CB -0.204 63.066 63.200 0.116 0.000 0.998 453 S HN 0.521 nan 8.310 nan 0.000 0.478 454 I N 3.373 123.962 120.570 0.032 0.000 2.686 454 I HA 0.369 4.539 4.170 -0.001 0.000 0.295 454 I C -0.433 175.706 176.117 0.036 0.000 1.114 454 I CA -0.709 60.619 61.300 0.046 0.000 1.038 454 I CB 2.422 40.445 38.000 0.038 0.000 1.238 454 I HN 0.521 nan 8.210 nan 0.000 0.420 455 E N 6.077 126.315 120.200 0.062 0.000 2.167 455 E HA 0.215 4.564 4.350 -0.001 0.000 0.284 455 E C -1.839 174.814 176.600 0.089 0.000 1.016 455 E CA -1.592 54.849 56.400 0.068 0.000 0.817 455 E CB 1.540 31.285 29.700 0.074 0.000 1.080 455 E HN 0.296 nan 8.360 nan 0.000 0.397 456 P HA -0.202 nan 4.420 nan 0.000 0.217 456 P C 0.942 178.396 177.300 0.257 0.000 1.148 456 P CA 1.167 64.339 63.100 0.121 0.000 0.834 456 P CB 0.214 31.912 31.700 -0.004 0.000 0.783 457 L N -1.037 120.313 121.223 0.211 0.000 2.362 457 L HA -0.124 4.215 4.340 -0.001 0.000 0.219 457 L C 1.647 178.617 176.870 0.166 0.000 1.134 457 L CA 1.135 56.111 54.840 0.226 0.000 0.807 457 L CB -0.639 41.516 42.059 0.160 0.000 0.927 457 L HN 0.009 nan 8.230 nan 0.000 0.447 458 D N -0.190 120.293 120.400 0.137 0.000 2.305 458 D HA -0.032 4.607 4.640 -0.001 0.000 0.206 458 D C 2.366 178.727 176.300 0.101 0.000 0.974 458 D CA 0.397 54.451 54.000 0.090 0.000 0.871 458 D CB 0.213 41.053 40.800 0.068 0.000 0.947 458 D HN 0.253 nan 8.370 nan 0.000 0.516 459 L N 1.092 122.419 121.223 0.173 0.000 2.082 459 L HA -0.255 4.085 4.340 -0.001 0.000 0.223 459 L C -0.481 176.494 176.870 0.176 0.000 1.086 459 L CA 1.966 56.929 54.840 0.204 0.000 0.793 459 L CB -1.755 40.504 42.059 0.334 0.000 0.896 459 L HN 0.091 nan 8.230 nan 0.000 0.441 460 P HA -0.208 nan 4.420 nan 0.000 0.214 460 P C 1.438 178.775 177.300 0.060 0.000 1.163 460 P CA 1.379 64.508 63.100 0.049 0.000 0.889 460 P CB 0.037 31.631 31.700 -0.176 0.000 0.790 461 Q N -0.779 119.008 119.800 -0.023 0.000 2.020 461 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 461 Q C 2.216 178.197 176.000 -0.031 0.000 0.982 461 Q CA 1.458 57.231 55.803 -0.049 0.000 0.838 461 Q CB -1.115 27.581 28.738 -0.069 0.000 0.899 461 Q HN 0.240 nan 8.270 nan 0.000 0.423 462 I N 0.096 120.646 120.570 -0.033 0.000 2.091 462 I HA -0.329 3.841 4.170 -0.001 0.000 0.239 462 I C 2.133 178.249 176.117 -0.002 0.000 1.061 462 I CA 1.388 62.635 61.300 -0.089 0.000 1.317 462 I CB -0.436 37.545 38.000 -0.031 0.000 1.031 462 I HN 0.211 nan 8.210 nan 0.000 0.401 463 I N 0.399 121.045 120.570 0.126 0.000 2.208 463 I HA -0.336 3.833 4.170 -0.001 0.000 0.245 463 I C 2.682 178.853 176.117 0.090 0.000 1.097 463 I CA 1.644 63.052 61.300 0.180 0.000 1.363 463 I CB -0.462 37.656 38.000 0.195 0.000 1.051 463 I HN 0.359 nan 8.210 nan 0.000 0.413 464 E N 0.887 121.178 120.200 0.152 0.000 2.077 464 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 464 E C 2.393 179.002 176.600 0.016 0.000 0.989 464 E CA 1.027 57.495 56.400 0.115 0.000 0.800 464 E CB 0.128 29.944 29.700 0.194 0.000 0.746 464 E HN 0.301 nan 8.360 nan 0.000 0.452 465 R N 0.093 120.575 120.500 -0.030 0.000 2.073 465 R HA -0.043 4.297 4.340 -0.001 0.000 0.229 465 R C 2.421 178.657 176.300 -0.107 0.000 1.120 465 R CA 0.812 56.864 56.100 -0.080 0.000 0.967 465 R CB -0.384 29.831 30.300 -0.141 0.000 0.862 465 R HN 0.329 nan 8.270 nan 0.000 0.436 466 L N -0.684 120.449 121.223 -0.150 0.000 2.509 466 L HA 0.023 4.363 4.340 -0.001 0.000 0.222 466 L C 1.591 178.158 176.870 -0.506 0.000 1.123 466 L CA 0.670 55.337 54.840 -0.287 0.000 0.856 466 L CB -0.186 41.695 42.059 -0.297 0.000 0.985 466 L HN 0.201 nan 8.230 nan 0.000 0.456 467 H N -0.695 118.315 119.070 -0.100 0.000 3.207 467 H HA 0.337 4.893 4.556 -0.001 0.000 0.237 467 H C 0.910 176.165 175.328 -0.121 0.000 0.959 467 H CA 0.786 56.758 56.048 -0.126 0.000 1.091 467 H CB 1.374 31.025 29.762 -0.184 0.000 1.447 467 H HN 0.192 nan 8.280 nan 0.000 0.477 468 G N 0.941 109.741 108.800 0.000 0.000 2.619 468 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.686 468 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.686 468 G C 0.601 175.473 174.900 -0.046 0.000 1.256 468 G CA -0.160 44.934 45.100 -0.009 0.000 0.826 468 G HN 0.167 nan 8.290 nan 0.000 0.619 469 L N 0.977 122.226 121.223 0.043 0.000 2.189 469 L HA -0.161 4.178 4.340 -0.001 0.000 0.214 469 L C 3.205 180.089 176.870 0.023 0.000 1.097 469 L CA 2.316 57.238 54.840 0.137 0.000 0.764 469 L CB -0.497 41.693 42.059 0.219 0.000 0.900 469 L HN 0.968 nan 8.230 nan 0.000 0.436 470 S N -0.064 115.612 115.700 -0.040 0.000 2.465 470 S HA -0.184 4.286 4.470 -0.001 0.000 0.241 470 S C 1.994 176.487 174.600 -0.179 0.000 1.000 470 S CA 0.861 59.017 58.200 -0.073 0.000 0.964 470 S CB -0.380 62.770 63.200 -0.083 0.000 0.763 470 S HN 0.396 nan 8.310 nan 0.000 0.512 471 A N 0.156 122.764 122.820 -0.354 0.000 2.172 471 A HA 0.284 4.603 4.320 -0.001 0.000 0.216 471 A C 1.333 178.612 177.584 -0.508 0.000 1.154 471 A CA 0.642 52.359 52.037 -0.534 0.000 0.701 471 A CB -0.663 17.900 19.000 -0.728 0.000 0.789 471 A HN 0.597 nan 8.150 nan 0.000 0.465 472 F N -0.927 119.044 119.950 0.034 0.000 2.704 472 F HA 0.136 4.662 4.527 -0.000 0.000 0.304 472 F C 1.950 177.803 175.800 0.089 0.000 1.094 472 F CA 0.959 59.009 58.000 0.084 0.000 1.275 472 F CB 0.072 39.160 39.000 0.146 0.000 1.073 472 F HN 0.232 nan 8.300 nan 0.000 0.586 473 T N -3.320 111.334 114.554 0.167 0.000 3.058 473 T HA 0.276 4.626 4.350 -0.001 0.000 0.278 473 T C 0.346 175.111 174.700 0.108 0.000 0.974 473 T CA -0.063 62.126 62.100 0.148 0.000 0.893 473 T CB -0.261 68.684 68.868 0.128 0.000 1.138 473 T HN -0.148 nan 8.240 nan 0.000 0.529 474 L N 4.060 125.267 121.223 -0.027 0.000 2.543 474 L HA 0.377 4.717 4.340 -0.001 0.000 0.285 474 L C 0.257 177.068 176.870 -0.098 0.000 1.236 474 L CA 1.011 55.724 54.840 -0.212 0.000 0.871 474 L CB -0.154 41.644 42.059 -0.435 0.000 1.121 474 L HN 0.788 nan 8.230 nan 0.000 0.501 475 H N 0.103 118.970 119.070 -0.337 0.000 2.950 475 H HA 0.394 4.950 4.556 -0.001 0.000 0.307 475 H C -0.214 175.016 175.328 -0.164 0.000 1.403 475 H CA -0.680 55.284 56.048 -0.140 0.000 1.145 475 H CB 0.561 30.334 29.762 0.018 0.000 1.844 475 H HN 0.463 nan 8.280 nan 0.000 0.515 476 S N 0.594 116.328 115.700 0.058 0.000 3.727 476 S HA -0.197 4.273 4.470 -0.001 0.000 0.444 476 S C -1.019 173.573 174.600 -0.014 0.000 0.867 476 S CA 0.222 58.445 58.200 0.039 0.000 1.324 476 S CB -1.968 61.149 63.200 -0.138 0.000 0.890 476 S HN 0.620 nan 8.310 nan 0.000 0.599 477 Y N 2.348 122.653 120.300 0.009 0.000 2.314 477 Y HA 0.433 4.983 4.550 -0.001 0.000 0.334 477 Y C 1.317 177.250 175.900 0.055 0.000 1.266 477 Y CA 0.103 58.217 58.100 0.023 0.000 1.391 477 Y CB 0.611 39.087 38.460 0.027 0.000 1.306 477 Y HN 0.607 nan 8.280 nan 0.000 0.558 478 S N 1.807 117.638 115.700 0.219 0.000 2.568 478 S HA 0.076 4.546 4.470 -0.001 0.000 0.282 478 S C -2.033 172.646 174.600 0.132 0.000 1.338 478 S CA -1.010 57.273 58.200 0.139 0.000 1.045 478 S CB 1.042 64.303 63.200 0.102 0.000 0.873 478 S HN 0.462 nan 8.310 nan 0.000 0.516 479 P HA -0.022 nan 4.420 nan 0.000 0.215 479 P C 1.834 179.171 177.300 0.062 0.000 1.157 479 P CA 1.661 64.805 63.100 0.073 0.000 0.868 479 P CB -0.494 31.239 31.700 0.055 0.000 0.788 480 G N 0.079 108.912 108.800 0.055 0.000 2.476 480 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.218 480 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.218 480 G C 1.684 176.612 174.900 0.046 0.000 1.164 480 G CA 1.213 46.337 45.100 0.040 0.000 0.768 480 G HN 0.273 nan 8.290 nan 0.000 0.560 481 E N 0.626 120.872 120.200 0.077 0.000 2.106 481 E HA -0.036 4.313 4.350 -0.001 0.000 0.192 481 E C 2.459 179.104 176.600 0.075 0.000 0.984 481 E CA 0.725 57.184 56.400 0.099 0.000 0.806 481 E CB -0.368 29.448 29.700 0.193 0.000 0.750 481 E HN 0.544 nan 8.360 nan 0.000 0.458 482 I N 0.442 121.055 120.570 0.072 0.000 2.202 482 I HA -0.252 3.918 4.170 -0.001 0.000 0.242 482 I C 1.736 177.867 176.117 0.023 0.000 1.091 482 I CA 1.242 62.564 61.300 0.037 0.000 1.368 482 I CB -0.438 37.593 38.000 0.051 0.000 1.058 482 I HN 0.126 nan 8.210 nan 0.000 0.410 483 N N 0.814 119.531 118.700 0.027 0.000 2.084 483 N HA -0.210 4.529 4.740 -0.001 0.000 0.190 483 N C 1.864 177.375 175.510 0.002 0.000 1.030 483 N CA 1.159 54.218 53.050 0.016 0.000 0.849 483 N CB -0.364 38.134 38.487 0.019 0.000 1.012 483 N HN 0.228 nan 8.380 nan 0.000 0.423 484 R N 0.632 121.131 120.500 -0.002 0.000 2.091 484 R HA -0.076 4.264 4.340 -0.001 0.000 0.238 484 R C 1.623 177.894 176.300 -0.048 0.000 1.136 484 R CA 1.099 57.183 56.100 -0.026 0.000 0.959 484 R CB -0.337 29.945 30.300 -0.031 0.000 0.856 484 R HN 0.033 nan 8.270 nan 0.000 0.437 485 V N 0.852 120.745 119.914 -0.036 0.000 2.270 485 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 485 V C 2.468 178.541 176.094 -0.036 0.000 1.043 485 V CA 1.973 64.241 62.300 -0.053 0.000 1.014 485 V CB -0.712 31.106 31.823 -0.009 0.000 0.645 485 V HN 0.589 nan 8.190 nan 0.000 0.447 486 A N -0.836 121.978 122.820 -0.010 0.000 1.902 486 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 486 A C 2.552 180.136 177.584 0.001 0.000 1.181 486 A CA 2.234 54.275 52.037 0.006 0.000 0.623 486 A CB -0.842 18.167 19.000 0.015 0.000 0.818 486 A HN 0.482 nan 8.150 nan 0.000 0.443 487 S N -1.026 114.670 115.700 -0.006 0.000 2.351 487 S HA -0.254 4.216 4.470 -0.001 0.000 0.220 487 S C 2.126 176.719 174.600 -0.013 0.000 1.035 487 S CA 1.753 59.951 58.200 -0.005 0.000 1.031 487 S CB -1.076 62.118 63.200 -0.009 0.000 0.928 487 S HN 0.802 nan 8.310 nan 0.000 0.433 488 C N 1.673 120.950 119.300 -0.038 0.000 2.385 488 C HA -0.102 4.358 4.460 -0.001 0.000 0.275 488 C C 2.554 177.521 174.990 -0.038 0.000 1.207 488 C CA 1.384 60.368 59.018 -0.056 0.000 1.760 488 C CB -1.827 25.842 27.740 -0.119 0.000 2.051 488 C HN 0.702 nan 8.230 nan 0.000 0.467 489 L N 0.188 121.394 121.223 -0.028 0.000 2.012 489 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 489 L C 3.053 179.916 176.870 -0.013 0.000 1.073 489 L CA 2.000 56.837 54.840 -0.004 0.000 0.748 489 L CB -0.893 41.190 42.059 0.041 0.000 0.891 489 L HN 0.385 nan 8.230 nan 0.000 0.431 490 R N 0.237 120.739 120.500 0.003 0.000 2.091 490 R HA -0.214 4.125 4.340 -0.001 0.000 0.238 490 R C 2.345 178.670 176.300 0.042 0.000 1.136 490 R CA 1.619 57.727 56.100 0.014 0.000 0.959 490 R CB -0.329 29.988 30.300 0.029 0.000 0.856 490 R HN 0.318 nan 8.270 nan 0.000 0.437 491 K N 0.655 121.083 120.400 0.047 0.000 1.991 491 K HA -0.182 4.138 4.320 -0.001 0.000 0.212 491 K C 1.869 178.561 176.600 0.153 0.000 1.049 491 K CA 1.402 57.746 56.287 0.095 0.000 0.932 491 K CB -0.048 32.482 32.500 0.050 0.000 0.717 491 K HN -0.007 nan 8.250 nan 0.000 0.441 492 L N -0.002 121.245 121.223 0.040 0.000 2.201 492 L HA 0.025 4.365 4.340 -0.001 0.000 0.212 492 L C 1.413 178.117 176.870 -0.276 0.000 1.105 492 L CA 2.012 56.855 54.840 0.006 0.000 0.775 492 L CB -0.858 41.191 42.059 -0.016 0.000 0.913 492 L HN 0.694 nan 8.230 nan 0.000 0.440 493 G N -0.855 107.656 108.800 -0.481 0.000 2.207 493 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.216 493 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.216 493 G C -0.053 174.665 174.900 -0.304 0.000 1.053 493 G CA 0.051 44.651 45.100 -0.834 0.000 0.764 493 G HN 0.108 nan 8.290 nan 0.000 0.495 494 V N 0.883 120.722 119.914 -0.125 0.000 2.439 494 V HA 0.474 4.593 4.120 -0.001 0.000 0.282 494 V C -1.321 174.814 176.094 0.069 0.000 1.039 494 V CA -1.719 60.602 62.300 0.036 0.000 0.913 494 V CB 1.632 33.525 31.823 0.117 0.000 0.983 494 V HN 0.167 nan 8.190 nan 0.000 0.460 495 P HA 0.053 nan 4.420 nan 0.000 0.266 495 P C -2.417 174.900 177.300 0.027 0.000 1.186 495 P CA -0.500 62.541 63.100 -0.099 0.000 0.767 495 P CB -0.195 31.267 31.700 -0.397 0.000 0.820 496 P HA 0.023 nan 4.420 nan 0.000 0.270 496 P C 0.958 178.333 177.300 0.125 0.000 1.223 496 P CA 0.046 63.180 63.100 0.057 0.000 0.785 496 P CB 0.742 32.444 31.700 0.003 0.000 0.923 497 L N 1.198 122.541 121.223 0.201 0.000 2.089 497 L HA -0.252 4.088 4.340 -0.001 0.000 0.213 497 L C 2.900 179.853 176.870 0.138 0.000 1.079 497 L CA 2.050 57.045 54.840 0.259 0.000 0.758 497 L CB -0.809 41.324 42.059 0.123 0.000 0.891 497 L HN 0.510 nan 8.230 nan 0.000 0.433 498 R N -0.797 119.697 120.500 -0.010 0.000 2.096 498 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 498 R C 1.935 177.932 176.300 -0.505 0.000 1.127 498 R CA 1.846 57.833 56.100 -0.189 0.000 0.968 498 R CB -1.194 29.006 30.300 -0.168 0.000 0.861 498 R HN 0.156 nan 8.270 nan 0.000 0.440 499 T N 0.577 114.908 114.554 -0.372 0.000 2.821 499 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 499 T C 1.191 175.694 174.700 -0.328 0.000 1.046 499 T CA 1.557 63.393 62.100 -0.439 0.000 1.139 499 T CB -0.233 68.367 68.868 -0.446 0.000 0.871 499 T HN 0.461 nan 8.240 nan 0.000 0.454 500 W N 1.475 122.770 121.300 -0.007 0.000 2.402 500 W HA 0.066 4.725 4.660 -0.000 0.000 0.286 500 W C 2.667 179.337 176.519 0.252 0.000 1.221 500 W CA 0.287 57.711 57.345 0.131 0.000 1.257 500 W CB -0.160 29.389 29.460 0.148 0.000 1.120 500 W HN 0.118 nan 8.180 nan 0.000 0.551 501 R N -0.007 120.727 120.500 0.389 0.000 2.070 501 R HA -0.167 4.172 4.340 -0.001 0.000 0.233 501 R C 1.895 178.360 176.300 0.274 0.000 1.137 501 R CA 2.170 58.527 56.100 0.427 0.000 0.945 501 R CB -0.781 29.710 30.300 0.318 0.000 0.845 501 R HN 0.319 nan 8.270 nan 0.000 0.430 502 H N -0.634 118.501 119.070 0.110 0.000 2.289 502 H HA -0.132 4.424 4.556 -0.001 0.000 0.296 502 H C 2.429 177.754 175.328 -0.005 0.000 1.091 502 H CA 1.613 57.673 56.048 0.021 0.000 1.274 502 H CB -0.033 29.721 29.762 -0.013 0.000 1.364 502 H HN 0.215 nan 8.280 nan 0.000 0.490 503 R N 0.534 121.120 120.500 0.143 0.000 2.091 503 R HA -0.109 4.231 4.340 -0.001 0.000 0.238 503 R C 2.672 178.992 176.300 0.033 0.000 1.136 503 R CA 0.956 57.099 56.100 0.072 0.000 0.959 503 R CB -0.240 30.102 30.300 0.072 0.000 0.856 503 R HN 0.286 nan 8.270 nan 0.000 0.437 504 A N 1.050 123.925 122.820 0.092 0.000 1.933 504 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 504 A C 2.055 179.418 177.584 -0.369 0.000 1.175 504 A CA 1.161 53.099 52.037 -0.165 0.000 0.628 504 A CB -0.359 18.638 19.000 -0.004 0.000 0.814 504 A HN 0.217 nan 8.150 nan 0.000 0.444 505 R N -0.713 119.674 120.500 -0.188 0.000 2.083 505 R HA -0.130 4.209 4.340 -0.001 0.000 0.237 505 R C 2.708 178.897 176.300 -0.185 0.000 1.137 505 R CA 1.644 57.635 56.100 -0.181 0.000 0.951 505 R CB -0.442 29.810 30.300 -0.080 0.000 0.851 505 R HN 0.580 nan 8.270 nan 0.000 0.434 506 S N 0.151 115.769 115.700 -0.138 0.000 2.343 506 S HA -0.118 4.352 4.470 -0.001 0.000 0.219 506 S C 2.066 176.567 174.600 -0.165 0.000 1.033 506 S CA 1.503 59.630 58.200 -0.122 0.000 1.014 506 S CB -0.247 62.906 63.200 -0.079 0.000 0.915 506 S HN 0.136 nan 8.310 nan 0.000 0.435 507 V N 2.839 122.622 119.914 -0.219 0.000 2.380 507 V HA -0.212 3.907 4.120 -0.001 0.000 0.251 507 V C 2.714 178.607 176.094 -0.336 0.000 1.063 507 V CA 2.389 64.534 62.300 -0.258 0.000 1.055 507 V CB -0.936 30.688 31.823 -0.332 0.000 0.657 507 V HN 0.508 nan 8.190 nan 0.000 0.455 508 R N 0.280 120.489 120.500 -0.485 0.000 2.070 508 R HA -0.176 4.163 4.340 -0.001 0.000 0.232 508 R C 2.410 178.604 176.300 -0.176 0.000 1.138 508 R CA 1.794 57.677 56.100 -0.361 0.000 0.936 508 R CB -0.604 29.488 30.300 -0.347 0.000 0.839 508 R HN 0.440 nan 8.270 nan 0.000 0.429 509 A N 1.685 124.412 122.820 -0.156 0.000 1.884 509 A HA -0.271 4.048 4.320 -0.001 0.000 0.219 509 A C 2.088 179.629 177.584 -0.071 0.000 1.197 509 A CA 2.212 54.190 52.037 -0.099 0.000 0.637 509 A CB -0.602 18.344 19.000 -0.090 0.000 0.827 509 A HN 0.462 nan 8.150 nan 0.000 0.450 510 K N -0.521 119.837 120.400 -0.071 0.000 2.009 510 K HA -0.115 4.205 4.320 -0.001 0.000 0.210 510 K C 1.996 178.587 176.600 -0.014 0.000 1.049 510 K CA 1.538 57.803 56.287 -0.036 0.000 0.929 510 K CB -0.562 31.921 32.500 -0.028 0.000 0.714 510 K HN 0.501 nan 8.250 nan 0.000 0.440 511 L N 1.113 122.326 121.223 -0.016 0.000 1.978 511 L HA -0.273 4.066 4.340 -0.001 0.000 0.218 511 L C 2.548 179.428 176.870 0.017 0.000 1.075 511 L CA 1.466 56.320 54.840 0.025 0.000 0.767 511 L CB -0.768 41.307 42.059 0.026 0.000 0.890 511 L HN 0.192 nan 8.230 nan 0.000 0.434 512 L N -0.784 120.434 121.223 -0.009 0.000 2.043 512 L HA -0.261 4.079 4.340 -0.001 0.000 0.212 512 L C 2.723 179.591 176.870 -0.004 0.000 1.075 512 L CA 1.391 56.226 54.840 -0.009 0.000 0.752 512 L CB -0.663 41.378 42.059 -0.030 0.000 0.891 512 L HN 0.224 nan 8.230 nan 0.000 0.432 513 S N -0.695 114.999 115.700 -0.009 0.000 2.407 513 S HA -0.276 4.194 4.470 -0.001 0.000 0.235 513 S C 1.877 176.481 174.600 0.006 0.000 1.036 513 S CA 1.403 59.600 58.200 -0.005 0.000 1.013 513 S CB -0.290 62.905 63.200 -0.009 0.000 0.820 513 S HN 0.509 nan 8.310 nan 0.000 0.476 514 Q N 0.249 120.059 119.800 0.017 0.000 2.378 514 Q HA 0.210 4.549 4.340 -0.001 0.000 0.205 514 Q C 1.311 177.328 176.000 0.028 0.000 0.954 514 Q CA 0.309 56.128 55.803 0.027 0.000 0.901 514 Q CB -0.142 28.622 28.738 0.043 0.000 0.981 514 Q HN 0.576 nan 8.270 nan 0.000 0.483 515 G N 0.206 109.021 108.800 0.025 0.000 2.806 515 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.236 515 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.236 515 G C 0.388 175.309 174.900 0.035 0.000 1.387 515 G CA -0.238 44.877 45.100 0.025 0.000 0.884 515 G HN 0.741 nan 8.290 nan 0.000 0.560 516 G N -1.046 107.773 108.800 0.033 0.000 2.601 516 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.261 516 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.261 516 G C 1.146 176.074 174.900 0.046 0.000 1.289 516 G CA 1.138 46.261 45.100 0.037 0.000 0.920 516 G HN 1.518 nan 8.290 nan 0.000 0.571 517 R N -0.037 120.494 120.500 0.051 0.000 2.133 517 R HA -0.126 4.214 4.340 -0.001 0.000 0.247 517 R C 3.143 179.493 176.300 0.083 0.000 1.151 517 R CA 2.323 58.459 56.100 0.059 0.000 0.971 517 R CB -0.682 29.660 30.300 0.070 0.000 0.866 517 R HN 0.777 nan 8.270 nan 0.000 0.447 518 A N 1.424 124.303 122.820 0.099 0.000 1.873 518 A HA -0.050 4.270 4.320 -0.001 0.000 0.215 518 A C 2.439 180.071 177.584 0.081 0.000 1.186 518 A CA 1.478 53.588 52.037 0.122 0.000 0.616 518 A CB -0.658 18.417 19.000 0.125 0.000 0.823 518 A HN 0.373 nan 8.150 nan 0.000 0.442 519 A N -0.687 122.169 122.820 0.059 0.000 2.032 519 A HA -0.130 4.190 4.320 -0.001 0.000 0.221 519 A C 2.216 179.829 177.584 0.049 0.000 1.165 519 A CA 2.439 54.500 52.037 0.040 0.000 0.645 519 A CB -1.149 17.869 19.000 0.030 0.000 0.807 519 A HN 0.506 nan 8.150 nan 0.000 0.453 520 T N -1.312 113.282 114.554 0.068 0.000 2.809 520 T HA -0.130 4.220 4.350 -0.001 0.000 0.260 520 T C 1.890 176.649 174.700 0.099 0.000 1.039 520 T CA 1.202 63.371 62.100 0.115 0.000 1.141 520 T CB -0.777 68.121 68.868 0.051 0.000 0.869 520 T HN 0.548 nan 8.240 nan 0.000 0.437 521 C N 1.775 121.096 119.300 0.036 0.000 2.391 521 C HA -0.050 4.409 4.460 -0.001 0.000 0.276 521 C C 3.130 178.103 174.990 -0.027 0.000 1.217 521 C CA 0.848 59.836 59.018 -0.049 0.000 1.766 521 C CB -1.566 26.134 27.740 -0.066 0.000 2.046 521 C HN 0.766 nan 8.230 nan 0.000 0.475 522 G N -0.784 108.043 108.800 0.044 0.000 2.403 522 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 522 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 522 G C 1.750 176.667 174.900 0.029 0.000 1.154 522 G CA 0.577 45.737 45.100 0.099 0.000 0.784 522 G HN 0.586 nan 8.290 nan 0.000 0.538 523 R N -1.109 119.376 120.500 -0.024 0.000 2.066 523 R HA -0.042 4.297 4.340 -0.001 0.000 0.232 523 R C 2.243 178.362 176.300 -0.301 0.000 1.131 523 R CA 1.386 57.392 56.100 -0.157 0.000 0.955 523 R CB -0.240 29.954 30.300 -0.177 0.000 0.851 523 R HN 0.472 nan 8.270 nan 0.000 0.432 524 Y N -0.089 120.031 120.300 -0.299 0.000 2.262 524 Y HA 0.026 4.576 4.550 -0.001 0.000 0.295 524 Y C 2.062 177.725 175.900 -0.396 0.000 1.121 524 Y CA 0.673 58.431 58.100 -0.570 0.000 1.144 524 Y CB -0.180 37.575 38.460 -1.176 0.000 1.043 524 Y HN -0.044 nan 8.280 nan 0.000 0.528 525 L N -1.666 119.454 121.223 -0.171 0.000 2.141 525 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 525 L C 0.899 177.534 176.870 -0.392 0.000 1.094 525 L CA 1.384 56.092 54.840 -0.221 0.000 0.763 525 L CB -0.367 41.355 42.059 -0.561 0.000 0.908 525 L HN 0.174 nan 8.230 nan 0.000 0.437 526 F N -1.323 118.558 119.950 -0.116 0.000 2.668 526 F HA 0.157 4.683 4.527 -0.000 0.000 0.301 526 F C 1.558 177.034 175.800 -0.541 0.000 1.106 526 F CA -0.340 57.372 58.000 -0.479 0.000 1.289 526 F CB -0.561 38.171 39.000 -0.446 0.000 1.006 526 F HN -0.057 nan 8.300 nan 0.000 0.535 527 N N 0.578 119.201 118.700 -0.128 0.000 2.585 527 N HA -0.171 4.568 4.740 -0.001 0.000 0.188 527 N C 1.757 177.256 175.510 -0.019 0.000 1.102 527 N CA 1.154 54.152 53.050 -0.087 0.000 0.920 527 N CB -0.148 38.306 38.487 -0.055 0.000 0.963 527 N HN 0.532 nan 8.380 nan 0.000 0.447 528 W N -1.576 119.782 121.300 0.096 0.000 3.003 528 W HA 0.364 5.024 4.660 -0.000 0.000 0.257 528 W C 1.212 177.803 176.519 0.120 0.000 1.308 528 W CA 0.334 57.739 57.345 0.100 0.000 1.529 528 W CB -0.587 28.939 29.460 0.109 0.000 1.115 528 W HN -0.019 nan 8.180 nan 0.000 0.659 529 A N 1.912 124.343 122.820 -0.648 0.000 2.016 529 A HA 0.098 4.418 4.320 -0.001 0.000 0.217 529 A C 1.296 178.789 177.584 -0.151 0.000 1.162 529 A CA 1.434 53.145 52.037 -0.542 0.000 0.662 529 A CB -0.984 17.565 19.000 -0.753 0.000 0.812 529 A HN 0.138 nan 8.150 nan 0.000 0.450 530 V N -4.488 115.353 119.914 -0.122 0.000 2.973 530 V HA 0.601 4.721 4.120 -0.001 0.000 0.314 530 V C 0.902 176.990 176.094 -0.010 0.000 1.066 530 V CA -0.876 61.388 62.300 -0.060 0.000 1.021 530 V CB 1.303 33.080 31.823 -0.077 0.000 1.076 530 V HN 0.216 nan 8.190 nan 0.000 0.462 531 R N 0.474 120.970 120.500 -0.006 0.000 2.195 531 R HA 0.205 4.544 4.340 -0.001 0.000 0.197 531 R C 1.015 177.305 176.300 -0.016 0.000 0.990 531 R CA 0.631 56.732 56.100 0.002 0.000 1.048 531 R CB -0.237 30.069 30.300 0.010 0.000 0.997 531 R HN 0.815 nan 8.270 nan 0.000 0.502 532 T N 3.083 117.622 114.554 -0.025 0.000 3.945 532 T HA 0.180 4.529 4.350 -0.001 0.000 0.306 532 T C 0.156 174.832 174.700 -0.040 0.000 1.475 532 T CA -0.006 62.076 62.100 -0.031 0.000 1.177 532 T CB 0.055 68.905 68.868 -0.031 0.000 1.272 532 T HN -0.027 nan 8.240 nan 0.000 0.930 533 K N 1.861 122.238 120.400 -0.039 0.000 2.380 533 K HA 0.271 4.591 4.320 -0.001 0.000 0.267 533 K C 0.140 176.703 176.600 -0.061 0.000 0.990 533 K CA -0.168 56.090 56.287 -0.048 0.000 0.946 533 K CB 0.737 33.217 32.500 -0.034 0.000 0.937 533 K HN 0.388 nan 8.250 nan 0.000 0.491 534 L N 2.152 123.322 121.223 -0.088 0.000 2.379 534 L HA 0.248 4.587 4.340 -0.001 0.000 0.269 534 L C 0.329 177.136 176.870 -0.105 0.000 1.084 534 L CA -1.035 53.742 54.840 -0.105 0.000 0.802 534 L CB 0.642 42.610 42.059 -0.151 0.000 1.175 534 L HN 0.319 nan 8.230 nan 0.000 0.448 535 K N 3.828 124.177 120.400 -0.085 0.000 2.310 535 K HA 0.360 4.679 4.320 -0.001 0.000 0.290 535 K C -0.560 175.984 176.600 -0.094 0.000 1.077 535 K CA -0.022 56.228 56.287 -0.062 0.000 0.922 535 K CB 0.481 32.961 32.500 -0.033 0.000 1.057 535 K HN 0.465 nan 8.250 nan 0.000 0.479 536 L N 3.300 124.464 121.223 -0.099 0.000 2.313 536 L HA 0.175 4.515 4.340 -0.001 0.000 0.282 536 L C 0.941 177.847 176.870 0.061 0.000 1.092 536 L CA -0.294 54.464 54.840 -0.136 0.000 0.831 536 L CB 0.528 42.489 42.059 -0.163 0.000 1.159 536 L HN 0.611 nan 8.230 nan 0.000 0.442 537 T N 0.900 115.525 114.554 0.119 0.000 2.918 537 T HA 0.558 4.908 4.350 -0.001 0.000 0.286 537 T C -2.532 172.297 174.700 0.215 0.000 1.026 537 T CA -2.422 59.763 62.100 0.142 0.000 1.031 537 T CB 1.651 70.572 68.868 0.087 0.000 1.046 537 T HN 0.195 nan 8.240 nan 0.000 0.479 538 P HA 0.054 nan 4.420 nan 0.000 0.265 538 P C -0.628 176.708 177.300 0.060 0.000 1.167 538 P CA 0.275 63.435 63.100 0.099 0.000 0.760 538 P CB 0.153 31.889 31.700 0.061 0.000 0.783 539 I N 5.610 126.163 120.570 -0.028 0.000 2.297 539 I HA 0.141 4.310 4.170 -0.001 0.000 0.291 539 I C -1.258 174.822 176.117 -0.062 0.000 1.033 539 I CA -2.114 59.121 61.300 -0.108 0.000 1.253 539 I CB 1.317 39.131 38.000 -0.310 0.000 1.396 539 I HN 0.332 nan 8.210 nan 0.000 0.476 540 P HA -0.294 nan 4.420 nan 0.000 0.209 540 P C 1.489 178.769 177.300 -0.034 0.000 1.167 540 P CA 1.512 64.599 63.100 -0.023 0.000 0.941 540 P CB 0.170 31.863 31.700 -0.012 0.000 0.787 541 A N -1.010 121.786 122.820 -0.039 0.000 2.255 541 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 541 A C 2.099 179.651 177.584 -0.053 0.000 1.175 541 A CA 1.956 53.969 52.037 -0.040 0.000 0.682 541 A CB -1.485 17.494 19.000 -0.035 0.000 0.784 541 A HN 0.269 nan 8.150 nan 0.000 0.482 542 A N 0.463 123.244 122.820 -0.064 0.000 1.826 542 A HA -0.045 4.275 4.320 -0.001 0.000 0.214 542 A C 2.443 179.983 177.584 -0.074 0.000 1.212 542 A CA 1.988 53.980 52.037 -0.075 0.000 0.605 542 A CB -1.264 17.692 19.000 -0.073 0.000 0.861 542 A HN 1.091 nan 8.150 nan 0.000 0.447 543 S N -0.163 115.503 115.700 -0.057 0.000 2.462 543 S HA -0.277 4.193 4.470 -0.001 0.000 0.243 543 S C 1.765 176.335 174.600 -0.051 0.000 1.003 543 S CA 1.575 59.744 58.200 -0.052 0.000 0.970 543 S CB -0.490 62.691 63.200 -0.033 0.000 0.762 543 S HN 0.712 nan 8.310 nan 0.000 0.510 544 Q N 0.137 119.908 119.800 -0.048 0.000 2.451 544 Q HA 0.246 4.585 4.340 -0.001 0.000 0.206 544 Q C 0.384 176.354 176.000 -0.051 0.000 0.947 544 Q CA -0.073 55.705 55.803 -0.040 0.000 0.937 544 Q CB 0.015 28.735 28.738 -0.030 0.000 1.025 544 Q HN 0.588 nan 8.270 nan 0.000 0.511 545 L N 2.262 123.440 121.223 -0.075 0.000 2.331 545 L HA 0.113 4.452 4.340 -0.001 0.000 0.278 545 L C -0.488 176.309 176.870 -0.122 0.000 1.106 545 L CA -0.322 54.458 54.840 -0.100 0.000 0.824 545 L CB 0.850 42.824 42.059 -0.142 0.000 1.142 545 L HN 0.108 nan 8.230 nan 0.000 0.443 546 D N 4.355 124.697 120.400 -0.097 0.000 2.365 546 D HA 0.213 4.853 4.640 -0.001 0.000 0.237 546 D C 0.005 176.207 176.300 -0.162 0.000 1.190 546 D CA -0.169 53.780 54.000 -0.085 0.000 0.867 546 D CB 0.916 41.704 40.800 -0.020 0.000 1.050 546 D HN 0.245 nan 8.370 nan 0.000 0.491 547 L N 2.856 123.927 121.223 -0.254 0.000 3.014 547 L HA 0.204 4.544 4.340 -0.001 0.000 0.263 547 L C 0.621 177.400 176.870 -0.153 0.000 1.207 547 L CA -0.200 54.320 54.840 -0.534 0.000 1.017 547 L CB -0.364 41.243 42.059 -0.754 0.000 1.360 547 L HN 0.398 nan 8.230 nan 0.000 0.560 548 S N -0.820 114.875 115.700 -0.008 0.000 2.573 548 S HA 0.440 4.910 4.470 -0.001 0.000 0.277 548 S C 1.497 176.196 174.600 0.165 0.000 1.346 548 S CA 0.185 58.424 58.200 0.065 0.000 1.034 548 S CB 0.925 64.147 63.200 0.036 0.000 0.879 548 S HN 0.601 nan 8.310 nan 0.000 0.528 549 G N 1.254 110.146 108.800 0.154 0.000 2.220 549 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.269 549 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.269 549 G C 0.510 175.579 174.900 0.283 0.000 0.977 549 G CA 0.533 45.731 45.100 0.163 0.000 0.634 549 G HN 0.747 nan 8.290 nan 0.000 0.539 550 W N -0.194 121.068 121.300 -0.063 0.000 2.381 550 W HA 0.438 5.097 4.660 -0.001 0.000 0.301 550 W C 1.126 177.336 176.519 -0.515 0.000 1.205 550 W CA 1.271 58.395 57.345 -0.369 0.000 1.285 550 W CB -0.203 28.818 29.460 -0.731 0.000 1.133 550 W HN 0.193 nan 8.180 nan 0.000 0.521 551 F N -0.588 119.592 119.950 0.383 0.000 2.523 551 F HA 0.300 4.826 4.527 -0.001 0.000 0.322 551 F C 0.481 176.420 175.800 0.231 0.000 1.361 551 F CA -0.563 57.642 58.000 0.342 0.000 1.151 551 F CB -0.052 39.117 39.000 0.282 0.000 1.391 551 F HN -0.389 nan 8.300 nan 0.000 0.566 552 V N 0.026 120.144 119.914 0.340 0.000 3.090 552 V HA 0.629 4.749 4.120 -0.001 0.000 0.237 552 V C 0.736 176.961 176.094 0.218 0.000 1.209 552 V CA 0.532 62.970 62.300 0.230 0.000 1.209 552 V CB 0.583 32.518 31.823 0.186 0.000 0.971 552 V HN 0.398 nan 8.190 nan 0.000 0.477 553 A N -0.548 122.361 122.820 0.148 0.000 2.604 553 A HA 0.738 5.058 4.320 -0.001 0.000 0.295 553 A C -0.225 176.972 177.584 -0.645 0.000 1.067 553 A CA 0.124 52.088 52.037 -0.122 0.000 0.683 553 A CB 1.001 19.828 19.000 -0.288 0.000 1.281 553 A HN 0.382 nan 8.150 nan 0.000 0.407 554 G N -0.906 107.129 108.800 -1.275 0.000 2.476 554 G HA2 0.519 4.478 3.960 -0.001 0.000 0.269 554 G HA3 0.519 4.478 3.960 -0.001 0.000 0.269 554 G C -0.782 173.417 174.900 -1.168 0.000 1.195 554 G CA -0.054 43.966 45.100 -1.800 0.000 0.843 554 G HN 0.666 nan 8.290 nan 0.000 0.545 555 Y N 0.253 120.328 120.300 -0.376 0.000 2.734 555 Y HA 0.275 4.825 4.550 -0.000 0.000 0.251 555 Y C 1.093 176.925 175.900 -0.113 0.000 1.049 555 Y CA -0.818 57.175 58.100 -0.180 0.000 1.103 555 Y CB 0.448 38.837 38.460 -0.117 0.000 1.201 555 Y HN 0.513 nan 8.280 nan 0.000 0.618 556 S N 0.909 116.599 115.700 -0.017 0.000 2.596 556 S HA 0.292 4.762 4.470 -0.001 0.000 0.298 556 S C 1.465 176.102 174.600 0.063 0.000 1.255 556 S CA 1.511 59.736 58.200 0.042 0.000 1.083 556 S CB -0.102 63.135 63.200 0.061 0.000 0.837 556 S HN 1.113 nan 8.310 nan 0.000 0.499 557 G N 3.705 112.539 108.800 0.057 0.000 2.175 557 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.265 557 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.265 557 G C 0.861 175.801 174.900 0.067 0.000 0.979 557 G CA 0.497 45.631 45.100 0.057 0.000 0.663 557 G HN 1.306 nan 8.290 nan 0.000 0.533 558 G N -0.267 108.581 108.800 0.080 0.000 2.848 558 G HA2 0.331 4.291 3.960 -0.001 0.000 0.208 558 G HA3 0.331 4.291 3.960 -0.001 0.000 0.208 558 G C 0.578 175.514 174.900 0.059 0.000 1.152 558 G CA 1.125 46.291 45.100 0.109 0.000 0.789 558 G HN 1.264 nan 8.290 nan 0.000 0.531 559 D N -0.757 119.642 120.400 -0.002 0.000 2.716 559 D HA -0.159 4.481 4.640 -0.001 0.000 0.239 559 D C -0.210 176.040 176.300 -0.083 0.000 1.125 559 D CA 0.314 54.286 54.000 -0.046 0.000 0.681 559 D CB -1.236 39.552 40.800 -0.020 0.000 1.070 559 D HN 0.100 nan 8.370 nan 0.000 0.432 560 I N 1.342 121.824 120.570 -0.146 0.000 2.404 560 I HA 0.403 4.572 4.170 -0.001 0.000 0.293 560 I C -0.239 175.659 176.117 -0.365 0.000 0.992 560 I CA -0.773 60.352 61.300 -0.292 0.000 1.149 560 I CB 1.325 39.016 38.000 -0.515 0.000 1.315 560 I HN 0.176 nan 8.210 nan 0.000 0.446 561 Y N 7.260 127.254 120.300 -0.510 0.000 2.400 561 Y HA 0.418 4.967 4.550 -0.001 0.000 0.335 561 Y C -1.156 174.466 175.900 -0.464 0.000 1.066 561 Y CA -0.818 56.962 58.100 -0.533 0.000 1.285 561 Y CB 0.445 38.695 38.460 -0.350 0.000 1.103 561 Y HN 0.673 nan 8.280 nan 0.000 0.490 562 H N 2.219 120.817 119.070 -0.786 0.000 2.762 562 H HA 0.771 5.327 4.556 -0.001 0.000 0.310 562 H C -0.741 174.189 175.328 -0.663 0.000 1.004 562 H CA -0.791 54.914 56.048 -0.571 0.000 1.267 562 H CB 1.538 31.098 29.762 -0.336 0.000 1.437 562 H HN 0.388 nan 8.280 nan 0.000 0.498 563 S N 0.000 115.386 115.700 -0.524 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.022 58.200 -0.296 0.000 1.107 563 S CB 0.000 62.857 63.200 -0.571 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517