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 3in5_1_A DATA FIRST_RESID 25 DATA SEQUENCE KAGMEGLDKE KINKIIMEAT KGSRFYGNEL KKEKQVNQRI ENMMQQKAQI DATA SEQUENCE TSQQLRKAQL QVDRFAMELE QSRNLSNTIV HIDMDAFYAA VEMRDNPELK DATA SEQUENCE DKPIAVGSMS MLSTSNYHAR RFGVRAAMPG FIAKRLCPQL IIVPPNFDKY DATA SEQUENCE RAVSKEVKEI LADYDPNFMA MSLDEAYLNI TKHLEERQNW PEDKRRYFIK DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXQNSV VFGTSAQEVV KEIRFRIEQK TTLTASAGIA PNTMLAKVCS DATA SEQUENCE DKNKPNGQYQ ILPNRQAVMD FIKDLPIRKV SGIGKVTEKM LKALGIITCT DATA SEQUENCE ELYQQRALLS LLFSETSWHY FLHISLGLGS THLTRDGERK SMSVERTFSE DATA SEQUENCE INKAEEQYSL CQELCSELAQ DLQKERLKGR TVTIKLKNVN FEVKTRASTV DATA SEQUENCE SSVVSTAEEI FAIAKELLKT EIDADFPHPL RLRLMGVRIS SFPN 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 25 K HA 0.000 nan 4.320 nan 0.000 0.191 25 K C 0.000 176.596 176.600 -0.007 0.000 0.988 25 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 25 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 26 A N 1.020 123.834 122.820 -0.010 0.000 3.091 26 A HA 0.726 5.046 4.320 -0.000 0.000 0.264 26 A C 1.145 178.761 177.584 0.052 0.000 1.673 26 A CA 0.846 52.895 52.037 0.020 0.000 1.362 26 A CB -0.774 18.238 19.000 0.021 0.000 1.137 26 A HN 2.013 nan 8.150 nan 0.000 0.617 27 G N -0.584 108.264 108.800 0.081 0.000 2.718 27 G HA2 0.471 4.431 3.960 -0.000 0.000 0.123 27 G HA3 0.471 4.431 3.960 -0.000 0.000 0.123 27 G C 0.217 175.222 174.900 0.174 0.000 1.042 27 G CA 0.280 45.505 45.100 0.209 0.000 1.397 27 G HN 1.298 nan 8.290 nan 0.000 0.611 28 M N 1.382 121.042 119.600 0.101 0.000 2.120 28 M HA 0.836 5.316 4.480 -0.000 0.000 0.354 28 M C 0.217 176.540 176.300 0.040 0.000 1.287 28 M CA 0.571 55.923 55.300 0.087 0.000 1.103 28 M CB -0.874 31.775 32.600 0.081 0.000 1.623 28 M HN 1.568 nan 8.290 nan 0.000 0.471 29 E N 1.367 121.588 120.200 0.035 0.000 2.664 29 E HA 0.813 5.163 4.350 -0.000 0.000 0.245 29 E C 1.185 177.791 176.600 0.009 0.000 1.016 29 E CA -0.335 56.074 56.400 0.015 0.000 0.963 29 E CB 0.231 29.938 29.700 0.011 0.000 1.360 29 E HN 2.756 nan 8.360 nan 0.000 0.472 30 G N -0.576 108.224 108.800 0.001 0.000 2.338 30 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.296 30 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.296 30 G C -0.198 174.695 174.900 -0.011 0.000 1.040 30 G CA 0.619 45.716 45.100 -0.005 0.000 1.004 30 G HN 0.588 nan 8.290 nan 0.000 0.509 31 L N -0.123 121.093 121.223 -0.012 0.000 2.334 31 L HA 0.527 4.867 4.340 -0.000 0.000 0.272 31 L C 0.511 177.369 176.870 -0.019 0.000 1.020 31 L CA -1.113 53.716 54.840 -0.018 0.000 0.812 31 L CB 1.594 43.646 42.059 -0.011 0.000 1.264 31 L HN 0.150 nan 8.230 nan 0.000 0.439 32 D N 2.162 122.546 120.400 -0.025 0.000 2.597 32 D HA 0.065 4.704 4.640 -0.000 0.000 0.228 32 D C 1.066 177.358 176.300 -0.013 0.000 1.120 32 D CA 0.289 54.277 54.000 -0.021 0.000 1.083 32 D CB 0.346 41.130 40.800 -0.027 0.000 1.116 32 D HN 0.593 nan 8.370 nan 0.000 0.487 33 K N 1.936 122.330 120.400 -0.010 0.000 2.519 33 K HA -0.135 4.185 4.320 -0.000 0.000 0.196 33 K C 1.514 178.111 176.600 -0.005 0.000 1.041 33 K CA 0.912 57.195 56.287 -0.006 0.000 0.954 33 K CB -0.253 32.244 32.500 -0.006 0.000 0.774 33 K HN 0.410 nan 8.250 nan 0.000 0.480 34 E N -0.320 119.877 120.200 -0.006 0.000 2.045 34 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 34 E C 2.844 179.442 176.600 -0.003 0.000 0.968 34 E CA 1.272 57.669 56.400 -0.004 0.000 0.813 34 E CB -0.145 29.552 29.700 -0.005 0.000 0.780 34 E HN 0.572 nan 8.360 nan 0.000 0.455 35 K N 1.316 121.714 120.400 -0.003 0.000 2.148 35 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 35 K C 1.997 178.599 176.600 0.004 0.000 1.050 35 K CA 1.089 57.377 56.287 0.001 0.000 0.942 35 K CB -0.835 31.666 32.500 0.001 0.000 0.724 35 K HN 0.057 nan 8.250 nan 0.000 0.446 36 I N 0.946 121.517 120.570 0.003 0.000 2.193 36 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 36 I C 2.145 178.261 176.117 -0.002 0.000 1.084 36 I CA 1.095 62.398 61.300 0.005 0.000 1.365 36 I CB -0.173 37.829 38.000 0.004 0.000 1.064 36 I HN 0.302 nan 8.210 nan 0.000 0.410 37 N N 1.217 119.916 118.700 -0.002 0.000 2.166 37 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 37 N C 1.987 177.493 175.510 -0.006 0.000 1.019 37 N CA 1.929 54.977 53.050 -0.003 0.000 0.856 37 N CB -0.414 38.072 38.487 -0.000 0.000 0.993 37 N HN 0.333 nan 8.380 nan 0.000 0.426 38 K N 1.141 121.537 120.400 -0.005 0.000 2.026 38 K HA -0.021 4.299 4.320 -0.000 0.000 0.208 38 K C 2.131 178.725 176.600 -0.009 0.000 1.048 38 K CA 1.413 57.695 56.287 -0.008 0.000 0.929 38 K CB -1.125 31.373 32.500 -0.004 0.000 0.713 38 K HN 0.215 nan 8.250 nan 0.000 0.439 39 I N 0.262 120.830 120.570 -0.004 0.000 2.179 39 I HA -0.215 3.954 4.170 -0.000 0.000 0.242 39 I C 2.598 178.709 176.117 -0.009 0.000 1.088 39 I CA 1.383 62.683 61.300 -0.001 0.000 1.357 39 I CB -0.286 37.718 38.000 0.005 0.000 1.051 39 I HN 0.245 nan 8.210 nan 0.000 0.409 40 I N 0.025 120.585 120.570 -0.018 0.000 2.151 40 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 40 I C 2.657 178.762 176.117 -0.021 0.000 1.080 40 I CA 1.409 62.693 61.300 -0.027 0.000 1.339 40 I CB -0.266 37.720 38.000 -0.023 0.000 1.039 40 I HN 0.293 nan 8.210 nan 0.000 0.409 41 M N 0.299 119.883 119.600 -0.027 0.000 2.099 41 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 41 M C 2.692 178.945 176.300 -0.078 0.000 1.067 41 M CA 2.287 57.549 55.300 -0.063 0.000 1.124 41 M CB -1.471 31.089 32.600 -0.066 0.000 1.353 41 M HN 0.368 nan 8.290 nan 0.000 0.410 42 E N 0.204 120.379 120.200 -0.042 0.000 2.171 42 E HA -0.038 4.312 4.350 -0.000 0.000 0.197 42 E C 1.856 178.456 176.600 0.000 0.000 0.997 42 E CA 1.660 58.044 56.400 -0.027 0.000 0.810 42 E CB -0.886 28.809 29.700 -0.008 0.000 0.738 42 E HN 0.629 nan 8.360 nan 0.000 0.467 43 A N -0.556 122.281 122.820 0.028 0.000 2.337 43 A HA 0.362 4.682 4.320 -0.000 0.000 0.227 43 A C 1.834 179.497 177.584 0.132 0.000 1.259 43 A CA 1.282 53.384 52.037 0.108 0.000 0.870 43 A CB 0.093 19.174 19.000 0.135 0.000 0.927 43 A HN 0.340 nan 8.150 nan 0.000 0.497 44 T N -1.841 112.737 114.554 0.040 0.000 2.992 44 T HA 0.202 4.551 4.350 -0.000 0.000 0.255 44 T C 2.148 176.766 174.700 -0.137 0.000 0.938 44 T CA 0.699 62.830 62.100 0.051 0.000 0.895 44 T CB 0.269 69.185 68.868 0.080 0.000 1.221 44 T HN 0.519 nan 8.240 nan 0.000 0.512 45 K N 1.780 122.033 120.400 -0.245 0.000 2.005 45 K HA -0.113 4.207 4.320 -0.000 0.000 0.229 45 K C 2.150 178.562 176.600 -0.313 0.000 1.050 45 K CA 2.329 58.377 56.287 -0.399 0.000 0.994 45 K CB -1.701 30.686 32.500 -0.189 0.000 0.736 45 K HN 0.482 nan 8.250 nan 0.000 0.448 46 G N 0.630 109.386 108.800 -0.073 0.000 3.284 46 G HA2 0.316 4.276 3.960 -0.000 0.000 0.236 46 G HA3 0.316 4.276 3.960 -0.000 0.000 0.236 46 G C 0.694 175.662 174.900 0.113 0.000 1.158 46 G CA 0.828 45.950 45.100 0.037 0.000 0.774 46 G HN 0.943 nan 8.290 nan 0.000 0.545 47 S N -0.592 115.198 115.700 0.151 0.000 2.580 47 S HA 0.148 4.617 4.470 -0.000 0.000 0.266 47 S C 1.439 176.192 174.600 0.253 0.000 1.354 47 S CA -0.178 58.154 58.200 0.220 0.000 1.008 47 S CB 1.619 64.997 63.200 0.298 0.000 0.898 47 S HN 0.313 nan 8.310 nan 0.000 0.555 48 R N 0.205 120.874 120.500 0.283 0.000 2.090 48 R HA -0.012 4.328 4.340 -0.000 0.000 0.228 48 R C 2.078 178.619 176.300 0.402 0.000 1.110 48 R CA 1.395 57.684 56.100 0.315 0.000 0.973 48 R CB -0.524 29.966 30.300 0.316 0.000 0.869 48 R HN 0.784 nan 8.270 nan 0.000 0.440 49 F N 0.190 120.290 119.950 0.250 0.000 2.075 49 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 49 F C 1.919 177.623 175.800 -0.161 0.000 1.113 49 F CA 1.717 59.522 58.000 -0.325 0.000 1.218 49 F CB -0.881 37.855 39.000 -0.439 0.000 0.984 49 F HN 0.089 nan 8.300 nan 0.000 0.472 50 Y N 1.064 121.220 120.300 -0.241 0.000 2.256 50 Y HA -0.058 4.492 4.550 -0.000 0.000 0.288 50 Y C 2.359 178.099 175.900 -0.268 0.000 1.155 50 Y CA 1.457 59.360 58.100 -0.330 0.000 1.203 50 Y CB -1.003 37.425 38.460 -0.054 0.000 0.980 50 Y HN 0.133 nan 8.280 nan 0.000 0.530 51 G N 0.262 109.005 108.800 -0.095 0.000 2.511 51 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.216 51 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.216 51 G C 1.536 176.292 174.900 -0.240 0.000 1.218 51 G CA 1.130 46.155 45.100 -0.124 0.000 0.788 51 G HN 0.500 nan 8.290 nan 0.000 0.560 52 N N 0.414 118.997 118.700 -0.195 0.000 2.094 52 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 52 N C 2.082 177.387 175.510 -0.341 0.000 1.023 52 N CA 1.700 54.636 53.050 -0.190 0.000 0.857 52 N CB -0.250 38.193 38.487 -0.074 0.000 1.013 52 N HN 0.248 nan 8.380 nan 0.000 0.426 53 E N -0.397 119.440 120.200 -0.604 0.000 2.160 53 E HA -0.095 4.254 4.350 -0.000 0.000 0.195 53 E C 1.635 177.947 176.600 -0.479 0.000 0.991 53 E CA 0.512 56.534 56.400 -0.630 0.000 0.810 53 E CB -0.402 28.738 29.700 -0.933 0.000 0.742 53 E HN 0.318 nan 8.360 nan 0.000 0.466 54 L N 0.479 121.367 121.223 -0.557 0.000 2.044 54 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 54 L C 2.379 179.099 176.870 -0.250 0.000 1.075 54 L CA 2.456 57.030 54.840 -0.443 0.000 0.747 54 L CB -1.155 40.599 42.059 -0.507 0.000 0.903 54 L HN 0.148 nan 8.230 nan 0.000 0.435 55 K N -0.461 119.815 120.400 -0.207 0.000 2.152 55 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 55 K C 2.103 178.638 176.600 -0.108 0.000 1.048 55 K CA 1.609 57.822 56.287 -0.125 0.000 0.933 55 K CB -0.709 31.736 32.500 -0.092 0.000 0.721 55 K HN 0.323 nan 8.250 nan 0.000 0.447 56 K N -0.005 120.314 120.400 -0.134 0.000 2.026 56 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 56 K C 2.225 178.776 176.600 -0.082 0.000 1.048 56 K CA 1.580 57.807 56.287 -0.100 0.000 0.929 56 K CB -0.160 32.266 32.500 -0.123 0.000 0.713 56 K HN 0.722 nan 8.250 nan 0.000 0.439 57 E N 1.181 121.316 120.200 -0.108 0.000 2.058 57 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 57 E C 2.261 178.825 176.600 -0.059 0.000 0.997 57 E CA 2.028 58.379 56.400 -0.081 0.000 0.801 57 E CB 0.023 29.660 29.700 -0.106 0.000 0.746 57 E HN 0.220 nan 8.360 nan 0.000 0.450 58 K N 0.200 120.559 120.400 -0.068 0.000 2.034 58 K HA -0.295 4.025 4.320 -0.000 0.000 0.214 58 K C 2.332 178.911 176.600 -0.034 0.000 1.051 58 K CA 2.840 59.099 56.287 -0.048 0.000 0.931 58 K CB -2.028 30.441 32.500 -0.052 0.000 0.715 58 K HN 0.475 nan 8.250 nan 0.000 0.446 59 Q N 0.163 119.941 119.800 -0.036 0.000 2.135 59 Q HA -0.024 4.316 4.340 -0.000 0.000 0.204 59 Q C 2.557 178.551 176.000 -0.011 0.000 0.981 59 Q CA 2.042 57.832 55.803 -0.022 0.000 0.856 59 Q CB -0.936 27.790 28.738 -0.021 0.000 0.902 59 Q HN 0.572 nan 8.270 nan 0.000 0.425 60 V N 1.463 121.369 119.914 -0.013 0.000 2.488 60 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 60 V C 1.947 178.044 176.094 0.005 0.000 1.046 60 V CA 1.527 63.828 62.300 0.003 0.000 1.053 60 V CB -0.593 31.232 31.823 0.003 0.000 0.679 60 V HN 0.633 nan 8.190 nan 0.000 0.458 61 N N 0.089 118.785 118.700 -0.006 0.000 2.166 61 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 61 N C 1.913 177.420 175.510 -0.004 0.000 1.019 61 N CA 1.016 54.063 53.050 -0.005 0.000 0.856 61 N CB -0.350 38.129 38.487 -0.012 0.000 0.993 61 N HN 0.373 nan 8.380 nan 0.000 0.426 62 Q N 0.760 120.556 119.800 -0.007 0.000 2.124 62 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 62 Q C 2.072 178.070 176.000 -0.003 0.000 0.977 62 Q CA 1.012 56.811 55.803 -0.007 0.000 0.850 62 Q CB -0.165 28.569 28.738 -0.008 0.000 0.901 62 Q HN 0.404 nan 8.270 nan 0.000 0.429 63 R N -0.097 120.406 120.500 0.004 0.000 2.073 63 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 63 R C 2.358 178.661 176.300 0.005 0.000 1.120 63 R CA 0.780 56.886 56.100 0.010 0.000 0.967 63 R CB -0.158 30.159 30.300 0.028 0.000 0.862 63 R HN 0.199 nan 8.270 nan 0.000 0.436 64 I N 0.837 121.414 120.570 0.012 0.000 2.208 64 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 64 I C 2.337 178.448 176.117 -0.010 0.000 1.097 64 I CA 1.318 62.623 61.300 0.008 0.000 1.363 64 I CB -0.323 37.686 38.000 0.015 0.000 1.051 64 I HN 0.257 nan 8.210 nan 0.000 0.413 65 E N 1.720 121.915 120.200 -0.009 0.000 2.085 65 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 65 E C 1.662 178.250 176.600 -0.022 0.000 0.994 65 E CA 1.948 58.340 56.400 -0.014 0.000 0.801 65 E CB -0.396 29.297 29.700 -0.012 0.000 0.743 65 E HN 0.598 nan 8.360 nan 0.000 0.453 66 N N -0.532 118.153 118.700 -0.024 0.000 2.270 66 N HA -0.089 4.651 4.740 -0.000 0.000 0.181 66 N C 1.926 177.406 175.510 -0.050 0.000 1.016 66 N CA 0.918 53.949 53.050 -0.031 0.000 0.870 66 N CB -0.192 38.279 38.487 -0.028 0.000 0.979 66 N HN 0.173 nan 8.380 nan 0.000 0.431 67 M N 0.718 120.281 119.600 -0.062 0.000 2.059 67 M HA -0.114 4.366 4.480 -0.000 0.000 0.259 67 M C 1.672 177.924 176.300 -0.079 0.000 1.072 67 M CA 1.495 56.733 55.300 -0.104 0.000 1.117 67 M CB 0.007 32.530 32.600 -0.128 0.000 1.320 67 M HN 0.097 nan 8.290 nan 0.000 0.408 68 M N 0.048 119.618 119.600 -0.051 0.000 2.337 68 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 68 M C 1.912 178.190 176.300 -0.035 0.000 1.067 68 M CA 1.682 56.960 55.300 -0.037 0.000 1.074 68 M CB -1.493 31.093 32.600 -0.024 0.000 1.395 68 M HN 0.376 nan 8.290 nan 0.000 0.431 69 Q N -0.088 119.690 119.800 -0.036 0.000 2.062 69 Q HA -0.131 4.209 4.340 -0.000 0.000 0.196 69 Q C 2.053 178.030 176.000 -0.038 0.000 0.967 69 Q CA 1.436 57.220 55.803 -0.032 0.000 0.832 69 Q CB -0.184 28.537 28.738 -0.027 0.000 0.899 69 Q HN 0.413 nan 8.270 nan 0.000 0.442 70 Q N 0.395 120.166 119.800 -0.049 0.000 2.135 70 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 70 Q C 1.752 177.720 176.000 -0.053 0.000 0.981 70 Q CA 1.767 57.538 55.803 -0.053 0.000 0.856 70 Q CB -0.079 28.615 28.738 -0.072 0.000 0.902 70 Q HN 0.235 nan 8.270 nan 0.000 0.425 71 K N -0.800 119.566 120.400 -0.056 0.000 1.985 71 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 71 K C 1.882 178.460 176.600 -0.037 0.000 1.047 71 K CA 1.288 57.546 56.287 -0.048 0.000 0.932 71 K CB -0.396 32.077 32.500 -0.045 0.000 0.716 71 K HN 0.254 nan 8.250 nan 0.000 0.439 72 A N 0.840 123.641 122.820 -0.032 0.000 2.104 72 A HA -0.216 4.104 4.320 -0.000 0.000 0.223 72 A C 1.139 178.708 177.584 -0.025 0.000 1.164 72 A CA 1.569 53.590 52.037 -0.026 0.000 0.659 72 A CB -0.355 18.632 19.000 -0.023 0.000 0.808 72 A HN 0.538 nan 8.150 nan 0.000 0.465 73 Q N -0.525 119.258 119.800 -0.027 0.000 2.465 73 Q HA 0.533 4.872 4.340 -0.000 0.000 0.361 73 Q C -1.032 174.952 176.000 -0.027 0.000 0.957 73 Q CA -0.017 55.771 55.803 -0.025 0.000 1.065 73 Q CB 0.471 29.195 28.738 -0.024 0.000 1.274 73 Q HN 0.628 nan 8.270 nan 0.000 0.421 74 I N 0.573 121.126 120.570 -0.029 0.000 2.545 74 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 74 I C 0.094 176.194 176.117 -0.028 0.000 1.040 74 I CA -0.999 60.283 61.300 -0.031 0.000 1.068 74 I CB 2.255 40.232 38.000 -0.037 0.000 1.251 74 I HN 0.072 nan 8.210 nan 0.000 0.424 75 T N -0.038 114.500 114.554 -0.027 0.000 2.902 75 T HA 0.205 4.555 4.350 -0.000 0.000 0.283 75 T C 1.093 175.777 174.700 -0.026 0.000 1.009 75 T CA -0.594 61.491 62.100 -0.024 0.000 1.051 75 T CB 1.653 70.509 68.868 -0.020 0.000 0.999 75 T HN 0.692 nan 8.240 nan 0.000 0.474 76 S N 1.538 117.224 115.700 -0.024 0.000 2.420 76 S HA -0.209 4.261 4.470 -0.000 0.000 0.237 76 S C 1.767 176.351 174.600 -0.026 0.000 1.023 76 S CA 0.655 58.840 58.200 -0.025 0.000 0.991 76 S CB -0.536 62.651 63.200 -0.022 0.000 0.792 76 S HN 0.664 nan 8.310 nan 0.000 0.488 77 Q N 1.085 120.871 119.800 -0.023 0.000 2.172 77 Q HA 0.043 4.383 4.340 -0.000 0.000 0.200 77 Q C 2.294 178.279 176.000 -0.026 0.000 0.964 77 Q CA 1.118 56.907 55.803 -0.022 0.000 0.855 77 Q CB -0.476 28.252 28.738 -0.017 0.000 0.918 77 Q HN 0.773 nan 8.270 nan 0.000 0.444 78 Q N -0.043 119.740 119.800 -0.028 0.000 2.020 78 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 78 Q C 2.019 177.992 176.000 -0.045 0.000 0.982 78 Q CA 1.027 56.810 55.803 -0.033 0.000 0.838 78 Q CB -0.052 28.667 28.738 -0.032 0.000 0.899 78 Q HN 0.198 nan 8.270 nan 0.000 0.423 79 L N 0.993 122.188 121.223 -0.046 0.000 1.989 79 L HA -0.217 4.122 4.340 -0.000 0.000 0.211 79 L C 2.228 179.063 176.870 -0.058 0.000 1.071 79 L CA 1.842 56.648 54.840 -0.057 0.000 0.749 79 L CB -0.535 41.494 42.059 -0.050 0.000 0.890 79 L HN 0.147 nan 8.230 nan 0.000 0.431 80 R N -0.613 119.860 120.500 -0.045 0.000 2.117 80 R HA -0.235 4.105 4.340 -0.000 0.000 0.243 80 R C 2.358 178.633 176.300 -0.042 0.000 1.143 80 R CA 1.769 57.845 56.100 -0.040 0.000 0.968 80 R CB -0.451 29.832 30.300 -0.029 0.000 0.863 80 R HN 0.393 nan 8.270 nan 0.000 0.444 81 K N 0.636 121.012 120.400 -0.041 0.000 2.057 81 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 81 K C 2.069 178.636 176.600 -0.055 0.000 1.050 81 K CA 1.267 57.532 56.287 -0.038 0.000 0.935 81 K CB -0.070 32.412 32.500 -0.031 0.000 0.715 81 K HN 0.150 nan 8.250 nan 0.000 0.439 82 A N 1.583 124.356 122.820 -0.079 0.000 1.883 82 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 82 A C 2.100 179.608 177.584 -0.127 0.000 1.186 82 A CA 1.455 53.416 52.037 -0.126 0.000 0.624 82 A CB -0.591 18.317 19.000 -0.153 0.000 0.822 82 A HN 0.404 nan 8.150 nan 0.000 0.444 83 Q N -1.032 118.709 119.800 -0.098 0.000 2.112 83 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 83 Q C 2.128 178.097 176.000 -0.053 0.000 0.987 83 Q CA 1.702 57.455 55.803 -0.083 0.000 0.858 83 Q CB -0.558 28.140 28.738 -0.066 0.000 0.905 83 Q HN 0.617 nan 8.270 nan 0.000 0.420 84 L N 1.439 122.640 121.223 -0.037 0.000 1.970 84 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 84 L C 2.458 179.332 176.870 0.006 0.000 1.071 84 L CA 1.874 56.707 54.840 -0.011 0.000 0.751 84 L CB -0.647 41.408 42.059 -0.006 0.000 0.889 84 L HN 0.210 nan 8.230 nan 0.000 0.432 85 Q N -0.833 118.964 119.800 -0.005 0.000 2.002 85 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 85 Q C 2.308 178.357 176.000 0.081 0.000 0.988 85 Q CA 2.019 57.842 55.803 0.032 0.000 0.843 85 Q CB -1.332 27.409 28.738 0.004 0.000 0.908 85 Q HN 0.456 nan 8.270 nan 0.000 0.420 86 V N 2.472 122.383 119.914 -0.004 0.000 2.324 86 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 86 V C 1.743 177.911 176.094 0.124 0.000 1.060 86 V CA 2.297 64.623 62.300 0.044 0.000 1.042 86 V CB -0.686 31.045 31.823 -0.153 0.000 0.650 86 V HN 0.260 nan 8.190 nan 0.000 0.450 87 D N -0.221 120.207 120.400 0.048 0.000 2.178 87 D HA -0.088 4.551 4.640 -0.000 0.000 0.202 87 D C 2.414 178.764 176.300 0.082 0.000 0.974 87 D CA 1.611 55.640 54.000 0.048 0.000 0.841 87 D CB -0.182 40.628 40.800 0.017 0.000 0.953 87 D HN 0.478 nan 8.370 nan 0.000 0.478 88 R N 0.310 120.874 120.500 0.106 0.000 2.073 88 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 88 R C 2.116 178.526 176.300 0.182 0.000 1.120 88 R CA 1.162 57.333 56.100 0.119 0.000 0.967 88 R CB -1.750 28.617 30.300 0.112 0.000 0.862 88 R HN 0.216 nan 8.270 nan 0.000 0.436 89 F N 1.614 121.599 119.950 0.059 0.000 2.075 89 F HA 0.000 4.527 4.527 -0.000 0.000 0.297 89 F C 2.710 178.525 175.800 0.026 0.000 1.113 89 F CA 1.025 59.062 58.000 0.062 0.000 1.218 89 F CB -0.888 38.193 39.000 0.135 0.000 0.984 89 F HN 0.366 nan 8.300 nan 0.000 0.472 90 A N 0.785 123.615 122.820 0.016 0.000 1.870 90 A HA -0.372 3.948 4.320 -0.000 0.000 0.219 90 A C 2.436 179.962 177.584 -0.096 0.000 1.224 90 A CA 2.619 54.612 52.037 -0.073 0.000 0.650 90 A CB -1.377 17.663 19.000 0.068 0.000 0.836 90 A HN 0.568 nan 8.150 nan 0.000 0.454 91 M N -0.722 118.869 119.600 -0.015 0.000 2.108 91 M HA -0.278 4.202 4.480 -0.000 0.000 0.257 91 M C 2.258 178.529 176.300 -0.048 0.000 1.071 91 M CA 2.820 58.111 55.300 -0.015 0.000 1.093 91 M CB -0.492 32.120 32.600 0.019 0.000 1.345 91 M HN 0.649 nan 8.290 nan 0.000 0.403 92 E N 0.472 120.635 120.200 -0.063 0.000 2.017 92 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 92 E C 1.676 178.188 176.600 -0.147 0.000 0.997 92 E CA 1.846 58.202 56.400 -0.074 0.000 0.804 92 E CB -1.405 28.281 29.700 -0.023 0.000 0.757 92 E HN 0.712 nan 8.360 nan 0.000 0.448 93 L N 0.017 121.063 121.223 -0.295 0.000 1.997 93 L HA -0.244 4.095 4.340 -0.000 0.000 0.216 93 L C 2.962 179.720 176.870 -0.187 0.000 1.074 93 L CA 2.108 56.757 54.840 -0.318 0.000 0.763 93 L CB -0.439 41.313 42.059 -0.511 0.000 0.890 93 L HN 0.402 nan 8.230 nan 0.000 0.434 94 E N -0.219 119.889 120.200 -0.153 0.000 2.171 94 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 94 E C 2.134 178.692 176.600 -0.070 0.000 0.997 94 E CA 1.293 57.635 56.400 -0.097 0.000 0.810 94 E CB -0.010 29.651 29.700 -0.066 0.000 0.738 94 E HN 0.283 nan 8.360 nan 0.000 0.467 95 Q N -0.461 119.300 119.800 -0.065 0.000 2.137 95 Q HA 0.049 4.389 4.340 -0.000 0.000 0.198 95 Q C 1.626 177.601 176.000 -0.041 0.000 0.960 95 Q CA 1.421 57.198 55.803 -0.042 0.000 0.847 95 Q CB -0.001 28.719 28.738 -0.029 0.000 0.915 95 Q HN 0.316 nan 8.270 nan 0.000 0.448 96 S N -0.759 114.909 115.700 -0.053 0.000 2.660 96 S HA 0.179 4.649 4.470 -0.000 0.000 0.227 96 S C 0.505 175.079 174.600 -0.044 0.000 0.948 96 S CA -0.550 57.625 58.200 -0.042 0.000 0.948 96 S CB -0.068 63.110 63.200 -0.037 0.000 0.779 96 S HN 0.189 nan 8.310 nan 0.000 0.487 97 R N 2.301 122.769 120.500 -0.053 0.000 2.484 97 R HA 0.088 4.428 4.340 -0.000 0.000 0.293 97 R C -0.576 175.707 176.300 -0.029 0.000 1.023 97 R CA 0.226 56.299 56.100 -0.045 0.000 1.037 97 R CB -0.023 30.245 30.300 -0.052 0.000 0.951 97 R HN 0.507 nan 8.270 nan 0.000 0.418 98 N N 4.321 123.010 118.700 -0.020 0.000 2.444 98 N HA 0.171 4.911 4.740 -0.000 0.000 0.262 98 N C -0.616 174.886 175.510 -0.013 0.000 0.974 98 N CA -0.577 52.465 53.050 -0.013 0.000 0.933 98 N CB 0.746 39.230 38.487 -0.005 0.000 1.137 98 N HN 0.461 nan 8.380 nan 0.000 0.498 99 L N 2.731 123.945 121.223 -0.015 0.000 3.066 99 L HA 0.296 4.636 4.340 -0.000 0.000 0.265 99 L C 1.298 178.160 176.870 -0.014 0.000 1.232 99 L CA 0.185 55.015 54.840 -0.017 0.000 1.031 99 L CB 0.710 42.756 42.059 -0.022 0.000 1.379 99 L HN 0.515 nan 8.230 nan 0.000 0.563 100 S N -1.004 114.691 115.700 -0.009 0.000 2.425 100 S HA 0.149 4.618 4.470 -0.000 0.000 0.225 100 S C 0.888 175.488 174.600 -0.001 0.000 1.024 100 S CA 0.266 58.462 58.200 -0.006 0.000 0.951 100 S CB -0.059 63.138 63.200 -0.005 0.000 0.796 100 S HN 0.472 nan 8.310 nan 0.000 0.498 101 N N 2.092 120.796 118.700 0.006 0.000 2.529 101 N HA 0.166 4.906 4.740 -0.000 0.000 0.278 101 N C -0.982 174.535 175.510 0.011 0.000 1.146 101 N CA 0.366 53.427 53.050 0.017 0.000 0.980 101 N CB 1.034 39.540 38.487 0.032 0.000 1.124 101 N HN 0.019 nan 8.380 nan 0.000 0.458 102 T N 2.920 117.484 114.554 0.016 0.000 2.832 102 T HA 0.313 4.662 4.350 -0.000 0.000 0.313 102 T C 0.403 175.123 174.700 0.034 0.000 1.035 102 T CA -0.498 61.609 62.100 0.012 0.000 0.950 102 T CB 0.198 69.067 68.868 0.002 0.000 0.984 102 T HN 0.224 nan 8.240 nan 0.000 0.486 103 I N 4.217 124.811 120.570 0.041 0.000 2.365 103 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 103 I C 0.191 176.364 176.117 0.094 0.000 1.004 103 I CA -0.833 60.517 61.300 0.083 0.000 1.311 103 I CB 1.216 39.271 38.000 0.092 0.000 1.401 103 I HN 0.274 nan 8.210 nan 0.000 0.491 104 V N 6.028 126.007 119.914 0.109 0.000 2.495 104 V HA 0.335 4.455 4.120 -0.000 0.000 0.298 104 V C -0.034 176.135 176.094 0.126 0.000 1.031 104 V CA -0.739 61.603 62.300 0.071 0.000 0.871 104 V CB 1.945 33.753 31.823 -0.026 0.000 0.988 104 V HN 0.656 nan 8.190 nan 0.000 0.432 105 H N 5.476 124.536 119.070 -0.016 0.000 2.511 105 H HA 0.480 5.035 4.556 -0.000 0.000 0.328 105 H C -1.383 173.843 175.328 -0.170 0.000 1.044 105 H CA -0.749 55.203 56.048 -0.159 0.000 1.212 105 H CB 1.429 31.105 29.762 -0.143 0.000 1.428 105 H HN 0.407 nan 8.280 nan 0.000 0.483 106 I N 4.516 124.740 120.570 -0.577 0.000 2.392 106 I HA 0.134 4.303 4.170 -0.000 0.000 0.295 106 I C 0.098 175.857 176.117 -0.597 0.000 0.985 106 I CA -0.159 60.873 61.300 -0.447 0.000 1.221 106 I CB 1.515 39.304 38.000 -0.351 0.000 1.366 106 I HN 0.656 nan 8.210 nan 0.000 0.467 107 D N 7.479 127.667 120.400 -0.353 0.000 2.375 107 D HA 0.229 4.868 4.640 -0.000 0.000 0.241 107 D C -0.387 175.821 176.300 -0.153 0.000 1.361 107 D CA -0.443 53.398 54.000 -0.264 0.000 0.995 107 D CB 1.177 41.915 40.800 -0.102 0.000 1.312 107 D HN 0.198 nan 8.370 nan 0.000 0.576 108 M N 1.420 120.904 119.600 -0.192 0.000 2.252 108 M HA 0.104 4.584 4.480 -0.000 0.000 0.333 108 M C 0.135 176.456 176.300 0.035 0.000 1.111 108 M CA 0.280 55.528 55.300 -0.087 0.000 1.140 108 M CB 0.354 32.862 32.600 -0.153 0.000 1.538 108 M HN 0.237 nan 8.290 nan 0.000 0.448 109 D N 1.793 122.255 120.400 0.103 0.000 2.256 109 D HA 0.336 4.976 4.640 -0.000 0.000 0.250 109 D C 0.392 176.850 176.300 0.264 0.000 1.093 109 D CA 0.123 54.236 54.000 0.187 0.000 0.882 109 D CB 0.983 41.850 40.800 0.111 0.000 1.185 109 D HN 0.753 nan 8.370 nan 0.000 0.437 110 A N 2.409 125.411 122.820 0.303 0.000 2.311 110 A HA -0.292 4.028 4.320 -0.000 0.000 0.284 110 A C 1.062 178.740 177.584 0.158 0.000 1.409 110 A CA 0.341 52.483 52.037 0.176 0.000 0.764 110 A CB -1.941 17.201 19.000 0.236 0.000 1.095 110 A HN 0.570 nan 8.150 nan 0.000 0.369 111 F N 0.100 120.032 119.950 -0.029 0.000 2.026 111 F HA -0.208 4.318 4.527 -0.000 0.000 0.296 111 F C 2.044 177.850 175.800 0.009 0.000 1.133 111 F CA 2.422 60.415 58.000 -0.012 0.000 1.188 111 F CB -0.624 38.356 39.000 -0.032 0.000 0.968 111 F HN 0.588 nan 8.300 nan 0.000 0.476 112 Y N -0.365 119.683 120.300 -0.419 0.000 2.224 112 Y HA -0.206 4.344 4.550 -0.000 0.000 0.289 112 Y C 2.618 178.282 175.900 -0.394 0.000 1.146 112 Y CA 0.289 57.897 58.100 -0.822 0.000 1.182 112 Y CB -0.712 37.302 38.460 -0.743 0.000 0.983 112 Y HN 0.226 nan 8.280 nan 0.000 0.524 113 A N 0.585 123.387 122.820 -0.030 0.000 1.858 113 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 113 A C 2.437 180.021 177.584 -0.000 0.000 1.190 113 A CA 1.761 53.799 52.037 0.002 0.000 0.617 113 A CB -1.200 17.811 19.000 0.019 0.000 0.827 113 A HN 0.419 nan 8.150 nan 0.000 0.443 114 A N -0.595 122.229 122.820 0.007 0.000 1.892 114 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 114 A C 2.259 179.831 177.584 -0.020 0.000 1.188 114 A CA 2.034 54.084 52.037 0.022 0.000 0.631 114 A CB -1.141 17.901 19.000 0.069 0.000 0.822 114 A HN 0.448 nan 8.150 nan 0.000 0.447 115 V N 0.327 120.179 119.914 -0.104 0.000 2.287 115 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 115 V C 2.597 178.683 176.094 -0.014 0.000 1.053 115 V CA 2.266 64.515 62.300 -0.086 0.000 1.027 115 V CB -0.693 31.042 31.823 -0.146 0.000 0.646 115 V HN 0.561 nan 8.190 nan 0.000 0.447 116 E N -0.577 119.629 120.200 0.010 0.000 2.106 116 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 116 E C 2.168 178.770 176.600 0.005 0.000 0.984 116 E CA 1.243 57.654 56.400 0.017 0.000 0.806 116 E CB -0.297 29.423 29.700 0.033 0.000 0.750 116 E HN 0.574 nan 8.360 nan 0.000 0.458 117 M N 0.220 119.826 119.600 0.010 0.000 2.213 117 M HA -0.137 4.342 4.480 -0.000 0.000 0.263 117 M C 2.450 178.754 176.300 0.007 0.000 1.062 117 M CA 1.211 56.519 55.300 0.015 0.000 1.105 117 M CB -0.191 32.426 32.600 0.028 0.000 1.385 117 M HN -0.039 nan 8.290 nan 0.000 0.417 118 R N 0.819 121.321 120.500 0.003 0.000 2.061 118 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 118 R C 1.382 177.678 176.300 -0.006 0.000 1.140 118 R CA 2.295 58.395 56.100 -0.000 0.000 0.940 118 R CB -0.484 29.816 30.300 -0.001 0.000 0.839 118 R HN 0.271 nan 8.270 nan 0.000 0.429 119 D N 0.073 120.466 120.400 -0.011 0.000 2.133 119 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 119 D C 0.412 176.703 176.300 -0.016 0.000 0.997 119 D CA 1.313 55.302 54.000 -0.019 0.000 0.840 119 D CB -0.028 40.753 40.800 -0.032 0.000 0.947 119 D HN 0.283 nan 8.370 nan 0.000 0.452 120 N N -0.782 117.911 118.700 -0.012 0.000 2.776 120 N HA 0.131 4.871 4.740 -0.000 0.000 0.245 120 N C -2.041 173.468 175.510 -0.002 0.000 1.121 120 N CA -1.563 51.481 53.050 -0.010 0.000 0.852 120 N CB 1.352 39.831 38.487 -0.013 0.000 1.142 120 N HN -0.171 nan 8.380 nan 0.000 0.514 121 P HA -0.253 nan 4.420 nan 0.000 0.217 121 P C 0.516 177.819 177.300 0.006 0.000 1.151 121 P CA 1.416 64.518 63.100 0.002 0.000 0.849 121 P CB 0.340 32.040 31.700 0.000 0.000 0.787 122 E N 0.268 120.471 120.200 0.004 0.000 2.086 122 E HA -0.189 4.161 4.350 -0.000 0.000 0.200 122 E C 2.248 178.856 176.600 0.013 0.000 1.012 122 E CA 1.206 57.610 56.400 0.007 0.000 0.812 122 E CB -0.804 28.898 29.700 0.003 0.000 0.743 122 E HN 0.344 nan 8.360 nan 0.000 0.453 123 L N 0.678 121.909 121.223 0.013 0.000 2.265 123 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 123 L C 2.839 179.730 176.870 0.034 0.000 1.117 123 L CA 1.446 56.299 54.840 0.022 0.000 0.782 123 L CB -1.011 41.057 42.059 0.016 0.000 0.914 123 L HN 0.144 nan 8.230 nan 0.000 0.441 124 K N -0.433 119.983 120.400 0.027 0.000 2.442 124 K HA -0.239 4.081 4.320 -0.000 0.000 0.200 124 K C 1.587 178.209 176.600 0.035 0.000 1.045 124 K CA 2.019 58.324 56.287 0.031 0.000 0.937 124 K CB -0.628 31.883 32.500 0.018 0.000 0.757 124 K HN 0.313 nan 8.250 nan 0.000 0.474 125 D N -0.524 119.898 120.400 0.036 0.000 2.369 125 D HA 0.093 4.732 4.640 -0.000 0.000 0.211 125 D C 0.028 176.367 176.300 0.064 0.000 1.077 125 D CA 0.330 54.346 54.000 0.027 0.000 0.842 125 D CB 0.271 41.081 40.800 0.018 0.000 0.947 125 D HN 0.724 nan 8.370 nan 0.000 0.509 126 K N -0.278 120.201 120.400 0.132 0.000 2.439 126 K HA 0.556 4.876 4.320 -0.000 0.000 0.260 126 K C -2.890 173.877 176.600 0.278 0.000 1.032 126 K CA -1.940 54.489 56.287 0.237 0.000 0.882 126 K CB 1.500 34.066 32.500 0.110 0.000 1.420 126 K HN -0.263 nan 8.250 nan 0.000 0.455 127 P HA 0.286 nan 4.420 nan 0.000 0.286 127 P C -0.682 176.560 177.300 -0.096 0.000 1.269 127 P CA -0.279 62.750 63.100 -0.119 0.000 0.787 127 P CB 0.527 31.911 31.700 -0.526 0.000 0.920 128 I N -0.034 120.502 120.570 -0.056 0.000 3.095 128 I HA 0.936 5.106 4.170 -0.000 0.000 0.310 128 I C -1.782 174.307 176.117 -0.047 0.000 1.196 128 I CA -1.338 59.935 61.300 -0.045 0.000 0.985 128 I CB 2.410 40.406 38.000 -0.007 0.000 1.250 128 I HN 0.384 nan 8.210 nan 0.000 0.446 129 A N 2.996 125.792 122.820 -0.039 0.000 2.594 129 A HA 0.831 5.150 4.320 -0.000 0.000 0.291 129 A C -1.684 175.898 177.584 -0.003 0.000 1.105 129 A CA -0.677 51.341 52.037 -0.031 0.000 0.694 129 A CB 1.941 20.910 19.000 -0.052 0.000 1.291 129 A HN 0.631 nan 8.150 nan 0.000 0.410 130 V N 1.182 121.109 119.914 0.022 0.000 2.409 130 V HA 0.809 4.929 4.120 -0.000 0.000 0.291 130 V C 0.698 176.838 176.094 0.076 0.000 1.020 130 V CA 0.880 63.219 62.300 0.066 0.000 0.848 130 V CB 0.642 32.547 31.823 0.137 0.000 0.990 130 V HN 2.040 nan 8.190 nan 0.000 0.430 131 G N 3.921 112.754 108.800 0.056 0.000 2.398 131 G HA2 0.430 4.390 3.960 -0.000 0.000 0.251 131 G HA3 0.430 4.390 3.960 -0.000 0.000 0.251 131 G C -0.599 174.324 174.900 0.037 0.000 1.277 131 G CA 0.172 45.306 45.100 0.058 0.000 0.927 131 G HN 1.128 nan 8.290 nan 0.000 0.477 132 S N -1.687 114.037 115.700 0.039 0.000 2.810 132 S HA 0.590 5.060 4.470 -0.000 0.000 0.315 132 S C 1.212 175.839 174.600 0.045 0.000 1.138 132 S CA 0.462 58.686 58.200 0.040 0.000 0.889 132 S CB 1.685 64.917 63.200 0.053 0.000 1.236 132 S HN 1.206 nan 8.310 nan 0.000 0.548 133 M N 1.923 121.559 119.600 0.060 0.000 2.374 133 M HA 0.069 4.548 4.480 -0.000 0.000 0.264 133 M C 1.587 177.992 176.300 0.175 0.000 1.067 133 M CA 1.962 57.321 55.300 0.099 0.000 1.103 133 M CB -0.795 31.859 32.600 0.090 0.000 1.402 133 M HN 0.836 nan 8.290 nan 0.000 0.444 134 S N -1.628 114.157 115.700 0.142 0.000 2.557 134 S HA 0.465 4.934 4.470 -0.000 0.000 0.223 134 S C 0.247 174.894 174.600 0.078 0.000 0.969 134 S CA -0.503 57.804 58.200 0.179 0.000 0.927 134 S CB -0.063 63.222 63.200 0.143 0.000 0.806 134 S HN 0.444 nan 8.310 nan 0.000 0.489 135 M N 1.098 120.718 119.600 0.034 0.000 2.439 135 M HA 0.376 4.856 4.480 -0.000 0.000 0.281 135 M C -2.691 173.611 176.300 0.003 0.000 1.011 135 M CA -0.385 54.911 55.300 -0.006 0.000 0.869 135 M CB 1.027 33.633 32.600 0.010 0.000 1.922 135 M HN 0.161 nan 8.290 nan 0.000 0.530 136 L N 3.767 124.976 121.223 -0.023 0.000 2.287 136 L HA 0.526 4.865 4.340 -0.000 0.000 0.287 136 L C 0.716 177.584 176.870 -0.004 0.000 1.022 136 L CA -0.518 54.314 54.840 -0.014 0.000 0.814 136 L CB 1.745 43.775 42.059 -0.049 0.000 1.217 136 L HN 0.923 nan 8.230 nan 0.000 0.420 137 S N 0.692 116.413 115.700 0.035 0.000 2.414 137 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 137 S C 0.705 175.259 174.600 -0.077 0.000 1.022 137 S CA 0.875 59.091 58.200 0.026 0.000 0.958 137 S CB 0.187 63.486 63.200 0.164 0.000 0.797 137 S HN 0.827 nan 8.310 nan 0.000 0.493 138 T N 0.001 114.516 114.554 -0.065 0.000 2.661 138 T HA 0.498 4.848 4.350 -0.000 0.000 0.305 138 T C -2.183 172.470 174.700 -0.078 0.000 1.441 138 T CA -0.233 61.804 62.100 -0.105 0.000 0.999 138 T CB 1.351 70.124 68.868 -0.160 0.000 1.650 138 T HN 0.220 nan 8.240 nan 0.000 0.489 139 S N 1.722 117.361 115.700 -0.102 0.000 2.543 139 S HA 0.587 5.057 4.470 -0.000 0.000 0.273 139 S C -0.681 173.856 174.600 -0.104 0.000 1.152 139 S CA -0.983 57.162 58.200 -0.091 0.000 0.910 139 S CB 0.938 64.076 63.200 -0.105 0.000 1.105 139 S HN 1.118 nan 8.310 nan 0.000 0.465 140 N N 1.374 120.055 118.700 -0.032 0.000 2.297 140 N HA 0.129 4.869 4.740 -0.000 0.000 0.232 140 N C 0.446 175.974 175.510 0.031 0.000 1.311 140 N CA -0.192 52.885 53.050 0.045 0.000 0.897 140 N CB -0.283 38.272 38.487 0.114 0.000 1.137 140 N HN 0.674 nan 8.380 nan 0.000 0.449 141 Y N -1.917 118.428 120.300 0.075 0.000 2.242 141 Y HA -0.170 4.380 4.550 -0.000 0.000 0.291 141 Y C 2.479 178.471 175.900 0.154 0.000 1.137 141 Y CA 1.919 60.073 58.100 0.090 0.000 1.181 141 Y CB -0.542 37.962 38.460 0.074 0.000 0.989 141 Y HN 0.770 nan 8.280 nan 0.000 0.527 142 H N 0.094 119.288 119.070 0.208 0.000 2.390 142 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 142 H C 2.066 177.551 175.328 0.262 0.000 1.106 142 H CA 1.509 57.676 56.048 0.199 0.000 1.297 142 H CB -0.310 29.549 29.762 0.162 0.000 1.375 142 H HN 0.274 nan 8.280 nan 0.000 0.509 143 A N 0.477 123.318 122.820 0.035 0.000 1.929 143 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 143 A C 2.463 180.099 177.584 0.086 0.000 1.176 143 A CA 1.135 53.145 52.037 -0.044 0.000 0.628 143 A CB -0.344 18.572 19.000 -0.139 0.000 0.816 143 A HN 0.448 nan 8.150 nan 0.000 0.444 144 R N -0.646 119.874 120.500 0.034 0.000 2.159 144 R HA -0.144 4.195 4.340 -0.000 0.000 0.237 144 R C 2.565 178.910 176.300 0.075 0.000 1.131 144 R CA 1.592 57.694 56.100 0.003 0.000 0.982 144 R CB -0.565 29.666 30.300 -0.115 0.000 0.868 144 R HN 0.552 nan 8.270 nan 0.000 0.453 145 R N 0.397 120.981 120.500 0.140 0.000 2.105 145 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 145 R C 1.760 178.045 176.300 -0.024 0.000 1.135 145 R CA 1.855 57.992 56.100 0.063 0.000 0.967 145 R CB -1.506 28.838 30.300 0.073 0.000 0.861 145 R HN 0.228 nan 8.270 nan 0.000 0.442 146 F N -0.177 119.739 119.950 -0.057 0.000 2.811 146 F HA 0.354 4.881 4.527 -0.000 0.000 0.301 146 F C 1.921 177.688 175.800 -0.055 0.000 1.151 146 F CA 0.472 58.437 58.000 -0.060 0.000 1.412 146 F CB 0.058 39.005 39.000 -0.089 0.000 1.113 146 F HN 0.445 nan 8.300 nan 0.000 0.579 147 G N 0.443 109.308 108.800 0.110 0.000 2.132 147 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.228 147 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.228 147 G C -0.129 174.777 174.900 0.010 0.000 1.000 147 G CA -0.037 45.086 45.100 0.038 0.000 0.693 147 G HN 0.140 nan 8.290 nan 0.000 0.515 148 V N 0.400 120.319 119.914 0.008 0.000 2.432 148 V HA 0.817 4.937 4.120 -0.000 0.000 0.271 148 V C 0.811 176.861 176.094 -0.073 0.000 1.046 148 V CA 0.668 62.939 62.300 -0.049 0.000 0.945 148 V CB 0.633 32.408 31.823 -0.079 0.000 0.992 148 V HN 1.021 nan 8.190 nan 0.000 0.471 149 R N 3.389 123.840 120.500 -0.081 0.000 2.888 149 R HA 0.937 5.277 4.340 -0.000 0.000 0.264 149 R C 0.045 176.292 176.300 -0.087 0.000 1.045 149 R CA -0.178 55.868 56.100 -0.089 0.000 0.962 149 R CB 0.979 31.235 30.300 -0.074 0.000 1.210 149 R HN 1.207 nan 8.270 nan 0.000 0.479 150 A N -0.441 122.326 122.820 -0.088 0.000 2.366 150 A HA 0.563 4.883 4.320 -0.000 0.000 0.250 150 A C 1.650 179.196 177.584 -0.063 0.000 1.099 150 A CA 1.067 53.059 52.037 -0.075 0.000 0.794 150 A CB -0.460 18.491 19.000 -0.083 0.000 1.056 150 A HN 2.704 nan 8.150 nan 0.000 0.499 151 A N -1.256 121.533 122.820 -0.052 0.000 3.408 151 A HA -0.233 4.087 4.320 -0.000 0.000 0.269 151 A C 0.659 178.195 177.584 -0.079 0.000 1.124 151 A CA 1.997 54.004 52.037 -0.049 0.000 0.999 151 A CB -2.387 16.593 19.000 -0.032 0.000 1.067 151 A HN 1.880 nan 8.150 nan 0.000 0.815 152 M N 1.337 120.880 119.600 -0.095 0.000 2.209 152 M HA 0.527 5.007 4.480 -0.000 0.000 0.355 152 M C -2.564 173.631 176.300 -0.175 0.000 1.171 152 M CA -2.244 52.973 55.300 -0.138 0.000 1.069 152 M CB 1.418 33.943 32.600 -0.125 0.000 1.622 152 M HN 0.136 nan 8.290 nan 0.000 0.459 153 P HA 0.100 nan 4.420 nan 0.000 0.268 153 P C 0.369 177.486 177.300 -0.306 0.000 1.205 153 P CA 0.180 63.106 63.100 -0.290 0.000 0.771 153 P CB 0.551 31.968 31.700 -0.472 0.000 0.858 154 G N 2.540 111.264 108.800 -0.126 0.000 2.448 154 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 154 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 154 G C 1.092 175.969 174.900 -0.039 0.000 1.127 154 G CA 0.470 45.533 45.100 -0.062 0.000 0.766 154 G HN 0.590 nan 8.290 nan 0.000 0.552 155 F N 0.486 120.416 119.950 -0.033 0.000 2.163 155 F HA 0.207 4.734 4.527 -0.000 0.000 0.297 155 F C 2.277 178.060 175.800 -0.028 0.000 1.094 155 F CA 0.386 58.370 58.000 -0.028 0.000 1.290 155 F CB -0.454 38.535 39.000 -0.019 0.000 1.017 155 F HN 0.084 nan 8.300 nan 0.000 0.483 156 I N 1.399 121.538 120.570 -0.719 0.000 2.179 156 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 156 I C 2.958 178.959 176.117 -0.193 0.000 1.088 156 I CA 1.264 62.328 61.300 -0.395 0.000 1.357 156 I CB -1.022 36.696 38.000 -0.470 0.000 1.051 156 I HN 0.342 nan 8.210 nan 0.000 0.409 157 A N 0.864 123.563 122.820 -0.202 0.000 1.903 157 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 157 A C 2.347 179.868 177.584 -0.105 0.000 1.191 157 A CA 2.023 53.980 52.037 -0.133 0.000 0.638 157 A CB -0.623 18.299 19.000 -0.129 0.000 0.823 157 A HN 0.331 nan 8.150 nan 0.000 0.451 158 K N -0.928 119.426 120.400 -0.076 0.000 2.147 158 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 158 K C 2.333 178.911 176.600 -0.037 0.000 1.049 158 K CA 1.367 57.620 56.287 -0.056 0.000 0.936 158 K CB -0.161 32.334 32.500 -0.008 0.000 0.722 158 K HN 0.453 nan 8.250 nan 0.000 0.446 159 R N 0.471 120.964 120.500 -0.011 0.000 2.081 159 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 159 R C 2.293 178.596 176.300 0.006 0.000 1.131 159 R CA 1.131 57.236 56.100 0.008 0.000 0.960 159 R CB -0.300 30.015 30.300 0.025 0.000 0.856 159 R HN 0.169 nan 8.270 nan 0.000 0.436 160 L N -0.702 120.516 121.223 -0.009 0.000 2.093 160 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 160 L C 1.136 178.044 176.870 0.063 0.000 1.085 160 L CA 0.405 55.268 54.840 0.039 0.000 0.755 160 L CB 0.053 42.130 42.059 0.031 0.000 0.904 160 L HN 0.226 nan 8.230 nan 0.000 0.435 161 C N 0.528 119.761 119.300 -0.112 0.000 2.801 161 C HA 0.373 4.833 4.460 -0.000 0.000 0.296 161 C C -1.565 173.269 174.990 -0.260 0.000 1.054 161 C CA -1.405 57.384 59.018 -0.381 0.000 1.442 161 C CB 0.411 27.609 27.740 -0.902 0.000 1.860 161 C HN 0.046 nan 8.230 nan 0.000 0.459 162 P HA -0.126 nan 4.420 nan 0.000 0.225 162 P C 1.330 178.572 177.300 -0.096 0.000 1.148 162 P CA 1.192 64.247 63.100 -0.075 0.000 0.779 162 P CB 0.022 31.711 31.700 -0.019 0.000 0.780 163 Q N -0.729 118.981 119.800 -0.150 0.000 2.280 163 Q HA 0.080 4.420 4.340 -0.000 0.000 0.201 163 Q C 0.433 176.337 176.000 -0.160 0.000 0.890 163 Q CA -0.239 55.491 55.803 -0.121 0.000 0.947 163 Q CB -0.638 28.053 28.738 -0.078 0.000 1.081 163 Q HN 0.194 nan 8.270 nan 0.000 0.502 164 L N 2.085 123.173 121.223 -0.224 0.000 2.559 164 L HA 0.142 4.481 4.340 -0.000 0.000 0.274 164 L C -0.581 176.221 176.870 -0.114 0.000 1.205 164 L CA 0.155 54.870 54.840 -0.209 0.000 0.907 164 L CB 0.266 42.189 42.059 -0.228 0.000 1.153 164 L HN 0.099 nan 8.230 nan 0.000 0.490 165 I N 6.814 127.333 120.570 -0.086 0.000 2.312 165 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 165 I C 0.040 176.131 176.117 -0.043 0.000 1.031 165 I CA 0.252 61.522 61.300 -0.050 0.000 1.293 165 I CB 0.485 38.466 38.000 -0.031 0.000 1.403 165 I HN 0.452 nan 8.210 nan 0.000 0.484 166 I N 7.187 127.737 120.570 -0.033 0.000 2.325 166 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 166 I C -0.368 175.741 176.117 -0.014 0.000 1.019 166 I CA -0.620 60.667 61.300 -0.023 0.000 1.302 166 I CB 0.838 38.829 38.000 -0.015 0.000 1.401 166 I HN 0.165 nan 8.210 nan 0.000 0.485 167 V N 8.182 128.090 119.914 -0.009 0.000 2.435 167 V HA 0.331 4.451 4.120 -0.000 0.000 0.290 167 V C -2.223 173.864 176.094 -0.012 0.000 1.030 167 V CA -2.000 60.293 62.300 -0.011 0.000 0.881 167 V CB 1.354 33.174 31.823 -0.005 0.000 0.983 167 V HN 0.569 nan 8.190 nan 0.000 0.445 168 P HA 0.215 nan 4.420 nan 0.000 0.271 168 P C -2.547 174.685 177.300 -0.113 0.000 1.216 168 P CA -1.180 61.887 63.100 -0.056 0.000 0.776 168 P CB -0.094 31.567 31.700 -0.066 0.000 0.881 169 P HA 0.092 nan 4.420 nan 0.000 0.271 169 P C -0.627 176.252 177.300 -0.702 0.000 1.216 169 P CA 0.150 63.040 63.100 -0.350 0.000 0.771 169 P CB 0.347 31.800 31.700 -0.411 0.000 0.864 170 N N 2.395 120.492 118.700 -1.004 0.000 2.746 170 N HA 0.205 4.945 4.740 -0.000 0.000 0.250 170 N C 0.307 175.065 175.510 -1.254 0.000 1.146 170 N CA -0.606 51.874 53.050 -0.951 0.000 0.828 170 N CB -0.292 37.790 38.487 -0.675 0.000 1.158 170 N HN 0.104 nan 8.380 nan 0.000 0.519 171 F N 0.165 119.817 119.950 -0.497 0.000 2.250 171 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 171 F C 1.710 177.354 175.800 -0.260 0.000 1.077 171 F CA 0.633 58.445 58.000 -0.314 0.000 1.348 171 F CB 0.188 39.150 39.000 -0.064 0.000 1.040 171 F HN 0.340 nan 8.300 nan 0.000 0.509 172 D N 0.377 120.708 120.400 -0.115 0.000 2.144 172 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 172 D C 2.175 178.398 176.300 -0.129 0.000 0.978 172 D CA 0.967 54.925 54.000 -0.071 0.000 0.833 172 D CB -0.319 40.442 40.800 -0.066 0.000 0.961 172 D HN 0.223 nan 8.370 nan 0.000 0.470 173 K N -0.054 120.166 120.400 -0.301 0.000 2.097 173 K HA -0.132 4.187 4.320 -0.000 0.000 0.206 173 K C 2.154 178.658 176.600 -0.159 0.000 1.049 173 K CA 0.910 57.031 56.287 -0.278 0.000 0.933 173 K CB -0.061 32.187 32.500 -0.421 0.000 0.717 173 K HN 0.311 nan 8.250 nan 0.000 0.442 174 Y N -0.116 120.098 120.300 -0.142 0.000 2.220 174 Y HA -0.096 4.454 4.550 -0.000 0.000 0.291 174 Y C 2.543 178.513 175.900 0.116 0.000 1.129 174 Y CA 0.418 58.446 58.100 -0.121 0.000 1.161 174 Y CB -0.072 38.252 38.460 -0.228 0.000 0.997 174 Y HN -0.007 nan 8.280 nan 0.000 0.522 175 R N 0.486 121.131 120.500 0.241 0.000 2.091 175 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 175 R C 2.532 178.928 176.300 0.159 0.000 1.136 175 R CA 1.034 57.259 56.100 0.207 0.000 0.959 175 R CB -0.552 29.833 30.300 0.142 0.000 0.856 175 R HN 0.355 nan 8.270 nan 0.000 0.437 176 A N 0.677 123.559 122.820 0.104 0.000 1.849 176 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 176 A C 2.301 179.955 177.584 0.117 0.000 1.202 176 A CA 2.080 54.166 52.037 0.082 0.000 0.629 176 A CB -0.954 18.069 19.000 0.037 0.000 0.834 176 A HN 0.151 nan 8.150 nan 0.000 0.447 177 V N -0.058 119.941 119.914 0.142 0.000 2.453 177 V HA -0.259 3.861 4.120 -0.000 0.000 0.252 177 V C 2.727 178.972 176.094 0.251 0.000 1.068 177 V CA 2.388 64.800 62.300 0.187 0.000 1.070 177 V CB -1.202 30.742 31.823 0.201 0.000 0.664 177 V HN 0.674 nan 8.190 nan 0.000 0.461 178 S N 0.651 116.540 115.700 0.315 0.000 2.351 178 S HA -0.291 4.179 4.470 -0.000 0.000 0.220 178 S C 2.105 176.781 174.600 0.127 0.000 1.035 178 S CA 2.275 60.614 58.200 0.232 0.000 1.031 178 S CB -0.295 63.049 63.200 0.240 0.000 0.928 178 S HN 0.804 nan 8.310 nan 0.000 0.433 179 K N 0.623 121.098 120.400 0.124 0.000 2.365 179 K HA 0.081 4.400 4.320 -0.000 0.000 0.199 179 K C 1.918 178.563 176.600 0.075 0.000 1.045 179 K CA 1.311 57.656 56.287 0.098 0.000 0.962 179 K CB -0.211 32.345 32.500 0.094 0.000 0.759 179 K HN 0.467 nan 8.250 nan 0.000 0.469 180 E N 0.618 120.865 120.200 0.078 0.000 2.106 180 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 180 E C 1.895 178.517 176.600 0.038 0.000 0.984 180 E CA 1.526 57.961 56.400 0.060 0.000 0.806 180 E CB 0.150 29.891 29.700 0.068 0.000 0.750 180 E HN 0.364 nan 8.360 nan 0.000 0.458 181 V N -1.241 118.691 119.914 0.029 0.000 2.725 181 V HA -0.005 4.115 4.120 -0.000 0.000 0.247 181 V C 1.733 177.774 176.094 -0.088 0.000 1.058 181 V CA 0.893 63.177 62.300 -0.027 0.000 1.080 181 V CB -0.194 31.603 31.823 -0.043 0.000 0.713 181 V HN 0.066 nan 8.190 nan 0.000 0.465 182 K N 0.568 120.930 120.400 -0.064 0.000 2.281 182 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 182 K C 2.040 178.601 176.600 -0.064 0.000 1.046 182 K CA 1.903 58.122 56.287 -0.113 0.000 0.938 182 K CB -0.153 32.419 32.500 0.122 0.000 0.737 182 K HN 0.660 nan 8.250 nan 0.000 0.458 183 E N 0.789 120.990 120.200 0.002 0.000 2.106 183 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 183 E C 2.011 178.618 176.600 0.012 0.000 0.984 183 E CA 0.768 57.186 56.400 0.029 0.000 0.806 183 E CB -0.047 29.678 29.700 0.042 0.000 0.750 183 E HN 0.279 nan 8.360 nan 0.000 0.458 184 I N 1.041 121.608 120.570 -0.004 0.000 2.252 184 I HA -0.262 3.907 4.170 -0.000 0.000 0.245 184 I C 2.258 178.405 176.117 0.050 0.000 1.102 184 I CA 0.900 62.227 61.300 0.045 0.000 1.385 184 I CB -0.242 37.783 38.000 0.042 0.000 1.064 184 I HN 0.142 nan 8.210 nan 0.000 0.414 185 L N 0.697 121.837 121.223 -0.137 0.000 2.131 185 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 185 L C 2.837 179.641 176.870 -0.111 0.000 1.092 185 L CA 1.329 56.009 54.840 -0.266 0.000 0.759 185 L CB -0.871 40.653 42.059 -0.892 0.000 0.903 185 L HN 0.258 nan 8.230 nan 0.000 0.435 186 A N -0.230 122.572 122.820 -0.030 0.000 2.015 186 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 186 A C 1.839 179.461 177.584 0.062 0.000 1.163 186 A CA 1.539 53.681 52.037 0.175 0.000 0.646 186 A CB -0.372 18.762 19.000 0.224 0.000 0.806 186 A HN 0.340 nan 8.150 nan 0.000 0.448 187 D N -0.822 119.537 120.400 -0.068 0.000 2.123 187 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 187 D C 1.433 177.485 176.300 -0.413 0.000 0.992 187 D CA 1.645 55.474 54.000 -0.284 0.000 0.833 187 D CB -0.356 40.112 40.800 -0.553 0.000 0.954 187 D HN 0.695 nan 8.370 nan 0.000 0.455 188 Y N -0.472 119.754 120.300 -0.123 0.000 2.490 188 Y HA 0.132 4.681 4.550 -0.000 0.000 0.285 188 Y C 0.452 176.325 175.900 -0.045 0.000 1.117 188 Y CA 0.137 58.090 58.100 -0.246 0.000 1.262 188 Y CB 0.648 38.911 38.460 -0.328 0.000 1.043 188 Y HN -0.209 nan 8.280 nan 0.000 0.553 189 D N -1.190 119.308 120.400 0.163 0.000 2.351 189 D HA 0.189 4.828 4.640 -0.000 0.000 0.235 189 D C -2.554 173.902 176.300 0.260 0.000 1.331 189 D CA -2.005 52.113 54.000 0.196 0.000 0.959 189 D CB 1.216 42.145 40.800 0.216 0.000 1.432 189 D HN -0.213 nan 8.370 nan 0.000 0.544 190 P HA -0.098 nan 4.420 nan 0.000 0.221 190 P C 0.603 177.966 177.300 0.105 0.000 1.141 190 P CA 1.034 64.231 63.100 0.161 0.000 0.794 190 P CB 0.304 32.062 31.700 0.095 0.000 0.764 191 N N -1.871 116.884 118.700 0.092 0.000 2.205 191 N HA 0.093 4.833 4.740 -0.000 0.000 0.201 191 N C -0.045 175.414 175.510 -0.086 0.000 1.128 191 N CA -0.467 52.571 53.050 -0.020 0.000 0.867 191 N CB -0.334 38.161 38.487 0.014 0.000 0.996 191 N HN 0.029 nan 8.380 nan 0.000 0.503 192 F N 1.915 121.887 119.950 0.037 0.000 2.642 192 F HA 0.008 4.535 4.527 -0.000 0.000 0.371 192 F C 0.321 176.144 175.800 0.037 0.000 1.120 192 F CA -0.682 57.344 58.000 0.043 0.000 1.331 192 F CB 0.096 39.118 39.000 0.037 0.000 1.044 192 F HN -0.088 nan 8.300 nan 0.000 0.594 193 M N 5.146 124.791 119.600 0.074 0.000 2.149 193 M HA 0.760 5.240 4.480 -0.000 0.000 0.342 193 M C -1.019 175.403 176.300 0.202 0.000 1.068 193 M CA -0.686 54.609 55.300 -0.007 0.000 0.991 193 M CB 1.377 33.990 32.600 0.022 0.000 1.596 193 M HN 0.904 nan 8.290 nan 0.000 0.439 194 A N 5.427 128.335 122.820 0.146 0.000 2.401 194 A HA 0.522 4.842 4.320 -0.000 0.000 0.259 194 A C 0.551 178.194 177.584 0.099 0.000 1.103 194 A CA -0.668 51.476 52.037 0.178 0.000 0.789 194 A CB 0.465 19.584 19.000 0.198 0.000 1.035 194 A HN 1.060 nan 8.150 nan 0.000 0.491 195 M N 1.134 120.773 119.600 0.066 0.000 2.514 195 M HA 0.133 4.612 4.480 -0.000 0.000 0.258 195 M C 0.660 176.985 176.300 0.043 0.000 1.159 195 M CA 0.964 56.309 55.300 0.074 0.000 1.116 195 M CB -1.053 31.604 32.600 0.095 0.000 1.333 195 M HN 1.016 nan 8.290 nan 0.000 0.487 196 S N -1.467 114.242 115.700 0.015 0.000 2.669 196 S HA 0.392 4.862 4.470 -0.000 0.000 0.266 196 S C 0.132 174.732 174.600 0.001 0.000 1.149 196 S CA -0.790 57.421 58.200 0.020 0.000 0.842 196 S CB 0.827 64.030 63.200 0.004 0.000 1.160 196 S HN -0.028 nan 8.310 nan 0.000 0.487 197 L N 1.944 123.196 121.223 0.047 0.000 2.201 197 L HA 0.141 4.481 4.340 -0.000 0.000 0.212 197 L C 1.950 178.635 176.870 -0.307 0.000 1.105 197 L CA 2.272 57.146 54.840 0.056 0.000 0.775 197 L CB -0.830 41.446 42.059 0.362 0.000 0.913 197 L HN 0.939 nan 8.230 nan 0.000 0.440 198 D N -1.837 118.266 120.400 -0.494 0.000 2.433 198 D HA 0.035 4.674 4.640 -0.000 0.000 0.211 198 D C 0.155 176.179 176.300 -0.460 0.000 1.114 198 D CA 0.045 53.554 54.000 -0.817 0.000 0.837 198 D CB 0.539 40.687 40.800 -1.087 0.000 0.984 198 D HN 0.280 nan 8.370 nan 0.000 0.505 199 E N -0.159 119.850 120.200 -0.319 0.000 2.317 199 E HA 0.722 5.072 4.350 -0.000 0.000 0.270 199 E C -1.300 175.125 176.600 -0.291 0.000 0.885 199 E CA -1.103 55.079 56.400 -0.364 0.000 0.760 199 E CB 2.514 32.053 29.700 -0.268 0.000 1.227 199 E HN 0.206 nan 8.360 nan 0.000 0.434 200 A N 1.866 124.434 122.820 -0.420 0.000 2.594 200 A HA 0.580 4.900 4.320 -0.000 0.000 0.295 200 A C -1.972 175.410 177.584 -0.336 0.000 1.071 200 A CA -0.672 51.245 52.037 -0.200 0.000 0.685 200 A CB 0.728 19.724 19.000 -0.008 0.000 1.285 200 A HN 0.523 nan 8.150 nan 0.000 0.405 201 Y N 0.298 120.670 120.300 0.120 0.000 2.334 201 Y HA 0.632 5.182 4.550 -0.000 0.000 0.328 201 Y C -0.143 175.837 175.900 0.133 0.000 1.130 201 Y CA -0.338 57.837 58.100 0.125 0.000 1.163 201 Y CB 1.386 39.922 38.460 0.126 0.000 1.207 201 Y HN 0.489 nan 8.280 nan 0.000 0.471 202 L N 2.398 123.756 121.223 0.224 0.000 2.365 202 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 202 L C -0.273 176.691 176.870 0.156 0.000 1.000 202 L CA -0.642 54.310 54.840 0.185 0.000 0.819 202 L CB 1.886 43.994 42.059 0.082 0.000 1.284 202 L HN 0.610 nan 8.230 nan 0.000 0.418 203 N N 3.134 121.922 118.700 0.146 0.000 2.678 203 N HA 0.236 4.976 4.740 -0.000 0.000 0.231 203 N C 0.963 176.539 175.510 0.110 0.000 1.038 203 N CA -0.215 52.904 53.050 0.113 0.000 0.932 203 N CB 0.533 39.084 38.487 0.106 0.000 1.176 203 N HN 0.748 nan 8.380 nan 0.000 0.511 204 I N 0.588 121.215 120.570 0.095 0.000 3.680 204 I HA 0.011 4.180 4.170 -0.000 0.000 0.306 204 I C 1.794 177.974 176.117 0.104 0.000 1.260 204 I CA 0.094 61.465 61.300 0.118 0.000 1.201 204 I CB -0.317 37.739 38.000 0.093 0.000 1.009 204 I HN 0.347 nan 8.210 nan 0.000 0.467 205 T N 1.457 116.055 114.554 0.072 0.000 2.685 205 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 205 T C 1.918 176.640 174.700 0.036 0.000 1.034 205 T CA 1.949 64.075 62.100 0.043 0.000 1.149 205 T CB -0.057 68.835 68.868 0.041 0.000 0.860 205 T HN 0.400 nan 8.240 nan 0.000 0.449 206 K N -0.407 120.030 120.400 0.063 0.000 2.076 206 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 206 K C 2.171 178.794 176.600 0.038 0.000 1.051 206 K CA 1.494 57.811 56.287 0.050 0.000 0.949 206 K CB -0.840 31.703 32.500 0.072 0.000 0.726 206 K HN 0.592 nan 8.250 nan 0.000 0.443 207 H N 1.428 120.492 119.070 -0.011 0.000 2.353 207 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 207 H C 1.975 177.205 175.328 -0.164 0.000 1.103 207 H CA 1.613 57.618 56.048 -0.072 0.000 1.293 207 H CB -0.275 29.480 29.762 -0.011 0.000 1.372 207 H HN 0.018 nan 8.280 nan 0.000 0.501 208 L N 0.086 121.217 121.223 -0.154 0.000 2.127 208 L HA -0.170 4.169 4.340 -0.000 0.000 0.211 208 L C 2.311 179.032 176.870 -0.249 0.000 1.089 208 L CA 1.613 56.320 54.840 -0.222 0.000 0.757 208 L CB -0.276 41.738 42.059 -0.076 0.000 0.899 208 L HN 0.515 nan 8.230 nan 0.000 0.434 209 E N -0.304 119.790 120.200 -0.177 0.000 2.028 209 E HA -0.211 4.139 4.350 -0.000 0.000 0.190 209 E C 2.006 178.504 176.600 -0.170 0.000 0.984 209 E CA 1.112 57.435 56.400 -0.128 0.000 0.800 209 E CB -0.080 29.584 29.700 -0.061 0.000 0.758 209 E HN 0.514 nan 8.360 nan 0.000 0.448 210 E N 0.801 120.881 120.200 -0.201 0.000 2.118 210 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 210 E C 2.149 178.491 176.600 -0.429 0.000 0.992 210 E CA 0.597 56.907 56.400 -0.151 0.000 0.804 210 E CB -0.122 29.570 29.700 -0.014 0.000 0.741 210 E HN 0.082 nan 8.360 nan 0.000 0.458 211 R N 0.661 120.603 120.500 -0.929 0.000 2.193 211 R HA -0.146 4.194 4.340 -0.000 0.000 0.229 211 R C 1.979 178.002 176.300 -0.463 0.000 1.110 211 R CA 0.857 56.200 56.100 -1.261 0.000 0.988 211 R CB 0.156 29.738 30.300 -1.196 0.000 0.871 211 R HN 0.133 nan 8.270 nan 0.000 0.458 212 Q N 0.147 119.791 119.800 -0.261 0.000 2.226 212 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 212 Q C 0.736 176.740 176.000 0.006 0.000 0.975 212 Q CA 1.075 56.821 55.803 -0.095 0.000 0.866 212 Q CB -0.116 28.578 28.738 -0.073 0.000 0.915 212 Q HN 0.361 nan 8.270 nan 0.000 0.440 213 N N -0.798 117.943 118.700 0.068 0.000 2.268 213 N HA -0.007 4.733 4.740 -0.000 0.000 0.204 213 N C -0.709 174.993 175.510 0.320 0.000 1.124 213 N CA 0.019 53.168 53.050 0.164 0.000 0.838 213 N CB 0.170 38.747 38.487 0.150 0.000 0.994 213 N HN 0.138 nan 8.380 nan 0.000 0.489 214 W N 2.500 123.795 121.300 -0.007 0.000 2.315 214 W HA 0.377 5.037 4.660 -0.000 0.000 0.316 214 W C -1.939 174.589 176.519 0.014 0.000 1.211 214 W CA -2.113 55.237 57.345 0.008 0.000 1.201 214 W CB 0.020 29.495 29.460 0.024 0.000 1.184 214 W HN -0.043 nan 8.180 nan 0.000 0.544 215 P HA 0.297 nan 4.420 nan 0.000 0.278 215 P C 0.913 178.274 177.300 0.102 0.000 1.258 215 P CA 0.057 63.216 63.100 0.098 0.000 0.811 215 P CB 0.584 32.302 31.700 0.030 0.000 1.063 216 E N 1.529 121.772 120.200 0.071 0.000 2.082 216 E HA -0.329 4.020 4.350 -0.000 0.000 0.215 216 E C 1.423 178.053 176.600 0.049 0.000 1.048 216 E CA 2.388 58.824 56.400 0.060 0.000 0.869 216 E CB -1.997 27.717 29.700 0.023 0.000 0.773 216 E HN 0.784 nan 8.360 nan 0.000 0.466 217 D N 0.132 120.536 120.400 0.006 0.000 2.221 217 D HA -0.193 4.447 4.640 -0.000 0.000 0.204 217 D C 1.860 178.128 176.300 -0.054 0.000 0.982 217 D CA 1.730 55.710 54.000 -0.033 0.000 0.857 217 D CB -0.381 40.388 40.800 -0.051 0.000 0.934 217 D HN 0.498 nan 8.370 nan 0.000 0.475 218 K N -0.185 120.199 120.400 -0.028 0.000 2.432 218 K HA 0.054 4.374 4.320 -0.000 0.000 0.196 218 K C 1.105 177.810 176.600 0.175 0.000 1.038 218 K CA 0.309 56.563 56.287 -0.055 0.000 0.986 218 K CB 0.229 32.598 32.500 -0.217 0.000 0.782 218 K HN 0.001 nan 8.250 nan 0.000 0.485 219 R N -0.155 120.489 120.500 0.240 0.000 2.629 219 R HA 0.132 4.472 4.340 -0.000 0.000 0.408 219 R C -0.557 175.939 176.300 0.326 0.000 1.057 219 R CA -0.268 56.086 56.100 0.422 0.000 1.119 219 R CB 0.891 31.437 30.300 0.410 0.000 1.403 219 R HN -0.063 nan 8.270 nan 0.000 0.576 220 R N 0.308 120.869 120.500 0.102 0.000 2.387 220 R HA 0.343 4.683 4.340 -0.000 0.000 0.314 220 R C -1.421 174.828 176.300 -0.086 0.000 0.958 220 R CA -0.328 55.785 56.100 0.023 0.000 0.846 220 R CB 0.737 31.014 30.300 -0.037 0.000 1.147 220 R HN -0.109 nan 8.270 nan 0.000 0.447 221 Y N 2.393 122.684 120.300 -0.015 0.000 2.499 221 Y HA 0.526 5.076 4.550 -0.000 0.000 0.347 221 Y C 0.223 176.165 175.900 0.070 0.000 0.987 221 Y CA -0.418 57.733 58.100 0.085 0.000 1.044 221 Y CB 1.871 40.459 38.460 0.214 0.000 1.245 221 Y HN 0.530 nan 8.280 nan 0.000 0.461 222 F N 3.245 123.361 119.950 0.276 0.000 2.410 222 F HA 0.654 5.181 4.527 -0.000 0.000 0.348 222 F C 0.045 176.028 175.800 0.305 0.000 1.106 222 F CA -1.300 56.823 58.000 0.205 0.000 1.163 222 F CB -0.388 38.690 39.000 0.129 0.000 1.129 222 F HN 0.503 nan 8.300 nan 0.000 0.516 223 I N 3.143 123.864 120.570 0.252 0.000 2.720 223 I HA 0.482 4.652 4.170 -0.000 0.000 0.287 223 I C 0.883 177.096 176.117 0.160 0.000 1.090 223 I CA 0.168 61.641 61.300 0.289 0.000 1.384 223 I CB 0.656 38.788 38.000 0.220 0.000 1.420 223 I HN 1.169 nan 8.210 nan 0.000 0.575 282 N N 1.621 120.330 118.700 0.016 0.000 2.762 282 N HA 0.559 5.299 4.740 -0.000 0.000 0.252 282 N C -1.804 173.729 175.510 0.038 0.000 1.269 282 N CA 0.134 53.205 53.050 0.034 0.000 0.799 282 N CB 1.155 39.669 38.487 0.045 0.000 1.173 282 N HN 0.613 nan 8.380 nan 0.000 0.516 283 S N -0.871 114.839 115.700 0.017 0.000 2.608 283 S HA 0.487 4.957 4.470 -0.000 0.000 0.285 283 S C -0.971 173.575 174.600 -0.090 0.000 1.108 283 S CA -0.883 57.313 58.200 -0.006 0.000 0.858 283 S CB 1.333 64.524 63.200 -0.015 0.000 1.077 283 S HN 0.023 nan 8.310 nan 0.000 0.450 284 V N -0.727 119.072 119.914 -0.190 0.000 2.971 284 V HA 0.949 5.069 4.120 -0.000 0.000 0.309 284 V C -0.013 175.807 176.094 -0.457 0.000 1.130 284 V CA -0.741 61.338 62.300 -0.369 0.000 0.964 284 V CB 1.183 32.667 31.823 -0.565 0.000 1.029 284 V HN 1.757 nan 8.190 nan 0.000 0.427 285 V N -0.041 119.628 119.914 -0.409 0.000 2.472 285 V HA 0.766 4.886 4.120 -0.000 0.000 0.290 285 V C -0.756 175.079 176.094 -0.432 0.000 1.037 285 V CA -0.403 61.730 62.300 -0.280 0.000 0.908 285 V CB 1.133 32.893 31.823 -0.104 0.000 0.985 285 V HN 0.676 nan 8.190 nan 0.000 0.454 286 F N 3.066 123.043 119.950 0.045 0.000 2.422 286 F HA 0.768 5.295 4.527 -0.000 0.000 0.333 286 F C 1.453 177.279 175.800 0.043 0.000 1.095 286 F CA 0.315 58.325 58.000 0.018 0.000 1.038 286 F CB 1.708 40.717 39.000 0.014 0.000 1.156 286 F HN 0.909 nan 8.300 nan 0.000 0.483 287 G N 0.390 109.311 108.800 0.201 0.000 2.466 287 G HA2 0.131 4.091 3.960 -0.000 0.000 0.279 287 G HA3 0.131 4.091 3.960 -0.000 0.000 0.279 287 G C 0.618 175.581 174.900 0.104 0.000 1.410 287 G CA -0.007 45.162 45.100 0.114 0.000 1.065 287 G HN 0.617 nan 8.290 nan 0.000 0.547 288 T N -0.918 113.662 114.554 0.044 0.000 2.985 288 T HA 0.236 4.586 4.350 -0.000 0.000 0.254 288 T C 1.392 176.070 174.700 -0.037 0.000 1.021 288 T CA 0.577 62.673 62.100 -0.006 0.000 0.957 288 T CB -0.390 68.470 68.868 -0.014 0.000 1.047 288 T HN 0.717 nan 8.240 nan 0.000 0.511 289 S N 0.460 116.151 115.700 -0.016 0.000 2.632 289 S HA 0.676 5.145 4.470 -0.000 0.000 0.267 289 S C 1.782 176.361 174.600 -0.035 0.000 1.276 289 S CA -0.120 58.062 58.200 -0.030 0.000 0.998 289 S CB 1.279 64.465 63.200 -0.023 0.000 0.953 289 S HN 0.241 nan 8.310 nan 0.000 0.547 290 A N 1.182 123.976 122.820 -0.043 0.000 1.859 290 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 290 A C 2.267 179.813 177.584 -0.064 0.000 1.198 290 A CA 2.289 54.297 52.037 -0.047 0.000 0.629 290 A CB -1.637 17.334 19.000 -0.048 0.000 0.830 290 A HN 0.933 nan 8.150 nan 0.000 0.446 291 Q N -0.505 119.258 119.800 -0.062 0.000 2.142 291 Q HA -0.249 4.091 4.340 -0.000 0.000 0.213 291 Q C 1.987 177.950 176.000 -0.061 0.000 1.004 291 Q CA 2.476 58.240 55.803 -0.066 0.000 0.883 291 Q CB -0.222 28.482 28.738 -0.056 0.000 0.939 291 Q HN 0.719 nan 8.270 nan 0.000 0.413 292 E N -0.743 119.438 120.200 -0.032 0.000 2.028 292 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 292 E C 2.108 178.640 176.600 -0.113 0.000 0.984 292 E CA 1.236 57.633 56.400 -0.005 0.000 0.800 292 E CB -0.787 28.962 29.700 0.082 0.000 0.758 292 E HN 0.400 nan 8.360 nan 0.000 0.448 293 V N 1.067 120.928 119.914 -0.088 0.000 2.439 293 V HA -0.229 3.891 4.120 -0.000 0.000 0.253 293 V C 2.173 178.058 176.094 -0.349 0.000 1.074 293 V CA 1.786 63.993 62.300 -0.154 0.000 1.076 293 V CB -0.372 31.453 31.823 0.003 0.000 0.664 293 V HN 0.041 nan 8.190 nan 0.000 0.461 294 V N -0.246 119.505 119.914 -0.271 0.000 2.407 294 V HA -0.171 3.948 4.120 -0.000 0.000 0.245 294 V C 2.608 178.522 176.094 -0.300 0.000 1.041 294 V CA 2.334 64.460 62.300 -0.289 0.000 1.040 294 V CB -0.741 30.973 31.823 -0.182 0.000 0.671 294 V HN 0.537 nan 8.190 nan 0.000 0.455 295 K N 0.120 120.366 120.400 -0.257 0.000 2.020 295 K HA -0.291 4.029 4.320 -0.000 0.000 0.212 295 K C 2.260 178.514 176.600 -0.577 0.000 1.050 295 K CA 2.251 58.384 56.287 -0.258 0.000 0.929 295 K CB -0.294 32.148 32.500 -0.097 0.000 0.714 295 K HN 0.530 nan 8.250 nan 0.000 0.443 296 E N 0.850 120.386 120.200 -1.106 0.000 2.070 296 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 296 E C 1.992 178.172 176.600 -0.700 0.000 1.004 296 E CA 1.601 57.073 56.400 -1.548 0.000 0.805 296 E CB -0.100 28.893 29.700 -1.178 0.000 0.744 296 E HN 0.268 nan 8.360 nan 0.000 0.451 297 I N 0.275 120.485 120.570 -0.599 0.000 2.099 297 I HA -0.318 3.851 4.170 -0.000 0.000 0.239 297 I C 2.845 178.791 176.117 -0.284 0.000 1.066 297 I CA 1.433 62.438 61.300 -0.492 0.000 1.324 297 I CB -0.359 37.263 38.000 -0.629 0.000 1.037 297 I HN 0.102 nan 8.210 nan 0.000 0.401 298 R N -0.047 120.302 120.500 -0.251 0.000 2.119 298 R HA -0.256 4.084 4.340 -0.000 0.000 0.246 298 R C 2.318 178.564 176.300 -0.090 0.000 1.146 298 R CA 2.201 58.211 56.100 -0.151 0.000 0.962 298 R CB -0.624 29.606 30.300 -0.116 0.000 0.863 298 R HN 0.308 nan 8.270 nan 0.000 0.442 299 F N 1.384 121.199 119.950 -0.226 0.000 2.051 299 F HA -0.219 4.308 4.527 -0.000 0.000 0.296 299 F C 2.351 178.081 175.800 -0.116 0.000 1.122 299 F CA 1.554 59.477 58.000 -0.128 0.000 1.201 299 F CB -0.116 38.842 39.000 -0.070 0.000 0.978 299 F HN -0.175 nan 8.300 nan 0.000 0.472 300 R N 0.441 120.949 120.500 0.015 0.000 2.103 300 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 300 R C 2.246 178.479 176.300 -0.111 0.000 1.142 300 R CA 2.199 58.268 56.100 -0.053 0.000 0.960 300 R CB -0.744 29.549 30.300 -0.011 0.000 0.858 300 R HN 0.419 nan 8.270 nan 0.000 0.439 301 I N 0.440 120.941 120.570 -0.114 0.000 2.163 301 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 301 I C 2.652 178.704 176.117 -0.108 0.000 1.085 301 I CA 1.544 62.786 61.300 -0.096 0.000 1.347 301 I CB -0.360 37.578 38.000 -0.103 0.000 1.044 301 I HN 0.289 nan 8.210 nan 0.000 0.408 302 E N 0.571 120.676 120.200 -0.157 0.000 2.110 302 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 302 E C 2.215 178.700 176.600 -0.191 0.000 0.988 302 E CA 1.121 57.425 56.400 -0.161 0.000 0.804 302 E CB 0.072 29.664 29.700 -0.180 0.000 0.745 302 E HN 0.447 nan 8.360 nan 0.000 0.458 303 Q N 0.120 119.740 119.800 -0.300 0.000 2.172 303 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 303 Q C 1.978 177.910 176.000 -0.114 0.000 0.964 303 Q CA 1.213 56.856 55.803 -0.266 0.000 0.855 303 Q CB -0.003 28.492 28.738 -0.404 0.000 0.918 303 Q HN 0.245 nan 8.270 nan 0.000 0.444 304 K N 0.333 120.687 120.400 -0.077 0.000 2.166 304 K HA -0.050 4.270 4.320 -0.000 0.000 0.201 304 K C 1.859 178.452 176.600 -0.011 0.000 1.052 304 K CA 1.500 57.775 56.287 -0.020 0.000 0.969 304 K CB 0.276 32.778 32.500 0.004 0.000 0.761 304 K HN 0.181 nan 8.250 nan 0.000 0.459 305 T N -4.083 110.461 114.554 -0.016 0.000 2.990 305 T HA 0.150 4.500 4.350 -0.000 0.000 0.249 305 T C 0.817 175.516 174.700 -0.002 0.000 1.039 305 T CA 0.683 62.786 62.100 0.006 0.000 1.036 305 T CB 0.374 69.261 68.868 0.032 0.000 0.994 305 T HN 0.203 nan 8.240 nan 0.000 0.489 306 T N 0.798 115.337 114.554 -0.026 0.000 5.994 306 T HA -0.119 4.231 4.350 -0.000 0.000 0.274 306 T C -0.071 174.619 174.700 -0.017 0.000 2.193 306 T CA 0.907 62.992 62.100 -0.026 0.000 3.720 306 T CB -1.814 67.047 68.868 -0.011 0.000 0.819 306 T HN 0.512 nan 8.240 nan 0.000 0.963 307 L N 2.066 123.290 121.223 0.001 0.000 2.375 307 L HA 0.660 5.000 4.340 -0.000 0.000 0.268 307 L C 0.999 177.869 176.870 0.000 0.000 1.058 307 L CA -0.734 54.121 54.840 0.025 0.000 0.803 307 L CB 1.184 43.294 42.059 0.085 0.000 1.212 307 L HN 0.295 nan 8.230 nan 0.000 0.451 308 T N -0.942 113.614 114.554 0.004 0.000 2.859 308 T HA 0.779 5.129 4.350 -0.000 0.000 0.281 308 T C -0.313 174.378 174.700 -0.015 0.000 1.005 308 T CA -0.718 61.368 62.100 -0.023 0.000 1.025 308 T CB 1.873 70.716 68.868 -0.040 0.000 0.977 308 T HN 0.712 nan 8.240 nan 0.000 0.458 309 A N 2.349 125.142 122.820 -0.045 0.000 2.330 309 A HA 0.838 5.158 4.320 -0.000 0.000 0.329 309 A C 0.064 177.613 177.584 -0.058 0.000 1.135 309 A CA -0.885 51.115 52.037 -0.061 0.000 0.817 309 A CB 1.293 20.231 19.000 -0.103 0.000 1.269 309 A HN 0.902 nan 8.150 nan 0.000 0.469 310 S N -0.791 114.877 115.700 -0.053 0.000 2.648 310 S HA 0.866 5.336 4.470 -0.000 0.000 0.305 310 S C -0.327 174.246 174.600 -0.045 0.000 1.094 310 S CA -0.075 58.107 58.200 -0.031 0.000 0.983 310 S CB 1.816 65.020 63.200 0.007 0.000 1.101 310 S HN 1.628 nan 8.310 nan 0.000 0.514 311 A N 0.534 123.345 122.820 -0.016 0.000 2.515 311 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 311 A C -0.336 177.275 177.584 0.043 0.000 1.059 311 A CA -0.649 51.374 52.037 -0.022 0.000 0.698 311 A CB 1.474 20.429 19.000 -0.075 0.000 1.289 311 A HN 0.992 nan 8.150 nan 0.000 0.404 312 G N 0.457 109.301 108.800 0.075 0.000 2.461 312 G HA2 0.609 4.569 3.960 -0.000 0.000 0.323 312 G HA3 0.609 4.569 3.960 -0.000 0.000 0.323 312 G C -0.961 173.968 174.900 0.049 0.000 1.229 312 G CA -0.454 44.702 45.100 0.093 0.000 0.941 312 G HN 0.649 nan 8.290 nan 0.000 0.477 313 I N 1.505 122.078 120.570 0.006 0.000 2.436 313 I HA 0.714 4.884 4.170 -0.000 0.000 0.289 313 I C 0.252 176.335 176.117 -0.055 0.000 1.010 313 I CA -0.434 60.850 61.300 -0.027 0.000 1.098 313 I CB 1.983 39.946 38.000 -0.061 0.000 1.266 313 I HN 0.702 nan 8.210 nan 0.000 0.434 314 A N 6.500 129.295 122.820 -0.041 0.000 2.540 314 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 314 A C -2.586 174.974 177.584 -0.040 0.000 1.083 314 A CA -0.973 51.019 52.037 -0.074 0.000 0.650 314 A CB 0.812 19.738 19.000 -0.124 0.000 1.292 314 A HN 0.416 nan 8.150 nan 0.000 0.435 315 P HA -0.037 nan 4.420 nan 0.000 0.221 315 P C 0.004 177.297 177.300 -0.012 0.000 1.145 315 P CA 2.051 65.134 63.100 -0.028 0.000 0.795 315 P CB -0.032 31.648 31.700 -0.034 0.000 0.775 316 N N -4.576 114.116 118.700 -0.015 0.000 2.825 316 N HA 0.124 4.864 4.740 -0.000 0.000 0.253 316 N C 0.692 176.190 175.510 -0.020 0.000 1.426 316 N CA -0.364 52.678 53.050 -0.013 0.000 0.851 316 N CB -0.135 38.346 38.487 -0.010 0.000 1.470 316 N HN -0.272 nan 8.380 nan 0.000 0.517 317 T N -2.399 112.106 114.554 -0.081 0.000 2.720 317 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 317 T C 1.620 176.296 174.700 -0.041 0.000 1.037 317 T CA 1.377 63.378 62.100 -0.165 0.000 1.144 317 T CB -0.387 68.121 68.868 -0.600 0.000 0.864 317 T HN 0.540 nan 8.240 nan 0.000 0.444 318 M N 0.726 120.303 119.600 -0.039 0.000 2.108 318 M HA -0.011 4.469 4.480 -0.000 0.000 0.261 318 M C 2.225 178.545 176.300 0.034 0.000 1.066 318 M CA 1.656 56.964 55.300 0.013 0.000 1.107 318 M CB -0.555 32.063 32.600 0.030 0.000 1.356 318 M HN 0.389 nan 8.290 nan 0.000 0.406 319 L N -0.112 121.118 121.223 0.013 0.000 2.109 319 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 319 L C 2.746 179.599 176.870 -0.029 0.000 1.086 319 L CA 0.917 55.743 54.840 -0.022 0.000 0.760 319 L CB -1.019 40.970 42.059 -0.117 0.000 0.910 319 L HN 0.328 nan 8.230 nan 0.000 0.437 320 A N 0.224 123.053 122.820 0.016 0.000 1.978 320 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 320 A C 2.406 180.023 177.584 0.055 0.000 1.170 320 A CA 2.031 54.109 52.037 0.069 0.000 0.636 320 A CB -0.398 18.709 19.000 0.178 0.000 0.810 320 A HN 0.353 nan 8.150 nan 0.000 0.448 321 K N -0.410 119.970 120.400 -0.033 0.000 2.044 321 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 321 K C 1.789 178.347 176.600 -0.071 0.000 1.049 321 K CA 1.247 57.359 56.287 -0.291 0.000 0.945 321 K CB -0.208 32.092 32.500 -0.334 0.000 0.724 321 K HN 0.202 nan 8.250 nan 0.000 0.440 322 V N 1.173 121.108 119.914 0.036 0.000 2.324 322 V HA -0.370 3.750 4.120 -0.000 0.000 0.250 322 V C 2.451 178.644 176.094 0.165 0.000 1.060 322 V CA 1.849 64.226 62.300 0.128 0.000 1.042 322 V CB -0.625 31.355 31.823 0.262 0.000 0.650 322 V HN 0.516 nan 8.190 nan 0.000 0.450 323 C N 0.615 120.008 119.300 0.155 0.000 2.422 323 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 323 C C 3.205 178.291 174.990 0.160 0.000 1.305 323 C CA 1.284 60.409 59.018 0.179 0.000 1.757 323 C CB -1.153 26.668 27.740 0.135 0.000 1.962 323 C HN 0.778 nan 8.230 nan 0.000 0.499 324 S N 0.331 116.113 115.700 0.137 0.000 2.474 324 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 324 S C 0.991 175.662 174.600 0.117 0.000 0.997 324 S CA 1.842 60.134 58.200 0.152 0.000 0.949 324 S CB -0.423 62.953 63.200 0.295 0.000 0.766 324 S HN 0.613 nan 8.310 nan 0.000 0.517 325 D N 0.921 121.380 120.400 0.098 0.000 2.366 325 D HA 0.183 4.823 4.640 -0.000 0.000 0.205 325 D C 1.748 178.079 176.300 0.051 0.000 1.022 325 D CA 0.338 54.382 54.000 0.074 0.000 0.868 325 D CB -0.003 40.832 40.800 0.059 0.000 0.953 325 D HN 0.437 nan 8.370 nan 0.000 0.514 326 K N 0.480 120.903 120.400 0.037 0.000 2.152 326 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 326 K C 0.580 177.180 176.600 0.001 0.000 1.048 326 K CA 1.160 57.424 56.287 -0.039 0.000 0.933 326 K CB 0.064 32.439 32.500 -0.208 0.000 0.721 326 K HN 0.081 nan 8.250 nan 0.000 0.447 327 N N 0.121 118.855 118.700 0.057 0.000 2.351 327 N HA 0.061 4.801 4.740 -0.000 0.000 0.254 327 N C -1.106 174.427 175.510 0.040 0.000 1.241 327 N CA -0.266 52.820 53.050 0.060 0.000 0.883 327 N CB 0.755 39.301 38.487 0.098 0.000 1.202 327 N HN 0.021 nan 8.380 nan 0.000 0.512 328 K N 2.126 122.555 120.400 0.049 0.000 2.258 328 K HA 0.210 4.529 4.320 -0.000 0.000 0.264 328 K C -2.289 174.309 176.600 -0.003 0.000 1.007 328 K CA -1.004 55.307 56.287 0.041 0.000 0.941 328 K CB 0.426 32.999 32.500 0.121 0.000 0.966 328 K HN 0.028 nan 8.250 nan 0.000 0.480 329 P HA 0.066 nan 4.420 nan 0.000 0.285 329 P C -0.884 176.324 177.300 -0.153 0.000 1.269 329 P CA -0.544 62.423 63.100 -0.222 0.000 0.844 329 P CB 0.569 31.862 31.700 -0.679 0.000 1.094 330 N N -0.483 118.159 118.700 -0.097 0.000 2.681 330 N HA -0.128 4.612 4.740 -0.000 0.000 0.259 330 N C -0.356 175.133 175.510 -0.035 0.000 1.066 330 N CA 0.416 53.427 53.050 -0.065 0.000 0.717 330 N CB -1.292 37.148 38.487 -0.079 0.000 0.885 330 N HN 0.865 nan 8.380 nan 0.000 0.547 331 G N 0.237 109.028 108.800 -0.015 0.000 2.606 331 G HA2 0.607 4.567 3.960 -0.000 0.000 0.300 331 G HA3 0.607 4.567 3.960 -0.000 0.000 0.300 331 G C -1.864 173.052 174.900 0.026 0.000 1.360 331 G CA -0.485 44.622 45.100 0.012 0.000 0.783 331 G HN 0.459 nan 8.290 nan 0.000 0.484 332 Q N -1.633 118.198 119.800 0.052 0.000 2.534 332 Q HA 0.708 5.048 4.340 -0.000 0.000 0.290 332 Q C -2.170 173.912 176.000 0.137 0.000 0.991 332 Q CA -1.123 54.721 55.803 0.068 0.000 0.783 332 Q CB 2.874 31.615 28.738 0.006 0.000 1.470 332 Q HN 0.661 nan 8.270 nan 0.000 0.406 333 Y N 0.254 120.556 120.300 0.004 0.000 2.470 333 Y HA 0.386 4.935 4.550 -0.000 0.000 0.341 333 Y C -1.575 174.310 175.900 -0.025 0.000 1.021 333 Y CA -0.412 57.696 58.100 0.012 0.000 1.025 333 Y CB 2.698 41.193 38.460 0.058 0.000 1.266 333 Y HN 0.830 nan 8.280 nan 0.000 0.448 334 Q N 5.463 124.905 119.800 -0.596 0.000 2.342 334 Q HA 0.649 4.989 4.340 -0.000 0.000 0.267 334 Q C -1.715 173.994 176.000 -0.485 0.000 1.038 334 Q CA -0.804 54.764 55.803 -0.391 0.000 0.832 334 Q CB 1.586 30.166 28.738 -0.264 0.000 1.323 334 Q HN 0.790 nan 8.270 nan 0.000 0.448 335 I N 4.573 124.987 120.570 -0.260 0.000 2.330 335 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 335 I C -0.333 175.697 176.117 -0.145 0.000 1.001 335 I CA -0.640 60.540 61.300 -0.200 0.000 1.193 335 I CB 1.131 38.959 38.000 -0.286 0.000 1.345 335 I HN 0.582 nan 8.210 nan 0.000 0.461 336 L N 8.441 129.597 121.223 -0.111 0.000 2.473 336 L HA 0.186 4.526 4.340 -0.000 0.000 0.268 336 L C -1.710 175.123 176.870 -0.061 0.000 1.215 336 L CA -1.202 53.589 54.840 -0.081 0.000 0.823 336 L CB 0.201 42.221 42.059 -0.065 0.000 1.099 336 L HN 0.428 nan 8.230 nan 0.000 0.483 337 P HA 0.092 nan 4.420 nan 0.000 0.220 337 P C -1.610 175.670 177.300 -0.033 0.000 1.806 337 P CA -0.157 62.918 63.100 -0.042 0.000 0.976 337 P CB -0.425 31.253 31.700 -0.036 0.000 1.952 338 N N -0.154 118.527 118.700 -0.032 0.000 2.329 338 N HA 0.230 4.970 4.740 -0.000 0.000 0.282 338 N C 0.550 176.046 175.510 -0.023 0.000 1.198 338 N CA -0.878 52.157 53.050 -0.025 0.000 0.790 338 N CB 1.810 40.284 38.487 -0.022 0.000 1.579 338 N HN -0.174 nan 8.380 nan 0.000 0.475 339 R N 0.461 120.947 120.500 -0.024 0.000 2.094 339 R HA -0.264 4.076 4.340 -0.000 0.000 0.239 339 R C 1.824 178.112 176.300 -0.020 0.000 1.137 339 R CA 2.404 58.488 56.100 -0.026 0.000 0.943 339 R CB -0.213 30.068 30.300 -0.032 0.000 0.850 339 R HN 0.702 nan 8.270 nan 0.000 0.433 340 Q N 0.151 119.942 119.800 -0.015 0.000 2.061 340 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 340 Q C 1.866 177.873 176.000 0.012 0.000 0.984 340 Q CA 2.329 58.127 55.803 -0.007 0.000 0.846 340 Q CB -0.468 28.266 28.738 -0.006 0.000 0.902 340 Q HN 0.443 nan 8.270 nan 0.000 0.421 341 A N -0.353 122.474 122.820 0.012 0.000 1.881 341 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 341 A C 2.319 179.939 177.584 0.060 0.000 1.215 341 A CA 2.253 54.308 52.037 0.029 0.000 0.648 341 A CB -1.396 17.601 19.000 -0.004 0.000 0.832 341 A HN 0.307 nan 8.150 nan 0.000 0.455 342 V N -0.982 118.946 119.914 0.024 0.000 2.231 342 V HA -0.364 3.755 4.120 -0.000 0.000 0.248 342 V C 2.602 178.753 176.094 0.093 0.000 1.054 342 V CA 2.793 65.115 62.300 0.037 0.000 1.015 342 V CB -0.620 31.203 31.823 -0.001 0.000 0.638 342 V HN 0.647 nan 8.190 nan 0.000 0.444 343 M N -0.133 119.490 119.600 0.039 0.000 2.108 343 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 343 M C 1.708 178.035 176.300 0.046 0.000 1.066 343 M CA 1.815 57.124 55.300 0.016 0.000 1.107 343 M CB -0.774 31.808 32.600 -0.030 0.000 1.356 343 M HN 0.363 nan 8.290 nan 0.000 0.406 344 D N -1.173 119.270 120.400 0.072 0.000 2.178 344 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 344 D C 1.751 178.127 176.300 0.127 0.000 0.980 344 D CA 1.070 55.118 54.000 0.080 0.000 0.842 344 D CB -0.328 40.525 40.800 0.088 0.000 0.948 344 D HN 0.366 nan 8.370 nan 0.000 0.472 345 F N 1.544 121.505 119.950 0.018 0.000 2.025 345 F HA -0.154 4.372 4.527 -0.000 0.000 0.291 345 F C 2.237 178.035 175.800 -0.004 0.000 1.150 345 F CA 0.765 58.781 58.000 0.026 0.000 1.166 345 F CB -0.321 38.714 39.000 0.058 0.000 0.995 345 F HN -0.236 nan 8.300 nan 0.000 0.474 346 I N 1.376 122.068 120.570 0.204 0.000 2.188 346 I HA -0.462 3.708 4.170 -0.000 0.000 0.246 346 I C 2.414 178.504 176.117 -0.045 0.000 1.033 346 I CA 2.136 63.468 61.300 0.054 0.000 1.307 346 I CB -1.597 36.451 38.000 0.080 0.000 1.005 346 I HN 0.356 nan 8.210 nan 0.000 0.421 347 K N 0.387 120.766 120.400 -0.035 0.000 2.117 347 K HA -0.254 4.066 4.320 -0.000 0.000 0.215 347 K C 0.940 177.505 176.600 -0.059 0.000 1.053 347 K CA 2.440 58.701 56.287 -0.044 0.000 0.935 347 K CB -0.035 32.445 32.500 -0.034 0.000 0.719 347 K HN 0.337 nan 8.250 nan 0.000 0.460 348 D N -0.209 120.134 120.400 -0.095 0.000 2.513 348 D HA 0.057 4.697 4.640 -0.000 0.000 0.222 348 D C -0.687 175.533 176.300 -0.134 0.000 1.210 348 D CA -0.280 53.661 54.000 -0.098 0.000 0.825 348 D CB 0.327 41.072 40.800 -0.091 0.000 1.037 348 D HN 0.123 nan 8.370 nan 0.000 0.506 349 L N 2.309 123.431 121.223 -0.168 0.000 2.433 349 L HA 0.296 4.636 4.340 -0.000 0.000 0.275 349 L C -2.574 174.227 176.870 -0.114 0.000 1.128 349 L CA -1.132 53.588 54.840 -0.201 0.000 0.875 349 L CB 0.509 42.425 42.059 -0.238 0.000 1.171 349 L HN -0.315 nan 8.230 nan 0.000 0.463 350 P HA 0.044 nan 4.420 nan 0.000 0.267 350 P C 1.204 178.475 177.300 -0.048 0.000 1.209 350 P CA 0.114 63.175 63.100 -0.065 0.000 0.763 350 P CB 0.638 32.302 31.700 -0.059 0.000 0.816 351 I N 3.049 123.595 120.570 -0.041 0.000 2.381 351 I HA -0.312 3.858 4.170 -0.000 0.000 0.255 351 I C 1.895 178.010 176.117 -0.004 0.000 1.140 351 I CA 1.657 62.939 61.300 -0.030 0.000 1.404 351 I CB 0.111 38.076 38.000 -0.058 0.000 1.075 351 I HN 0.305 nan 8.210 nan 0.000 0.433 352 R N 1.459 121.956 120.500 -0.005 0.000 2.235 352 R HA -0.090 4.250 4.340 -0.000 0.000 0.213 352 R C 1.852 178.162 176.300 0.016 0.000 1.059 352 R CA 1.054 57.161 56.100 0.013 0.000 0.997 352 R CB -0.227 30.076 30.300 0.005 0.000 0.884 352 R HN 0.198 nan 8.270 nan 0.000 0.462 353 K N -0.118 120.283 120.400 0.003 0.000 2.486 353 K HA 0.087 4.407 4.320 -0.000 0.000 0.194 353 K C -0.102 176.517 176.600 0.032 0.000 1.033 353 K CA 0.214 56.505 56.287 0.007 0.000 1.004 353 K CB 0.180 32.668 32.500 -0.019 0.000 0.798 353 K HN 0.023 nan 8.250 nan 0.000 0.495 354 V N 1.534 121.473 119.914 0.042 0.000 2.607 354 V HA 0.053 4.173 4.120 -0.000 0.000 0.289 354 V C 0.558 176.705 176.094 0.087 0.000 1.053 354 V CA -0.546 61.791 62.300 0.063 0.000 0.996 354 V CB 1.630 33.482 31.823 0.049 0.000 0.995 354 V HN 0.066 nan 8.190 nan 0.000 0.476 355 S N 3.282 119.038 115.700 0.094 0.000 2.443 355 S HA 0.478 4.947 4.470 -0.000 0.000 0.284 355 S C 1.031 175.729 174.600 0.163 0.000 1.206 355 S CA 0.670 58.931 58.200 0.102 0.000 1.074 355 S CB -0.303 62.947 63.200 0.084 0.000 0.963 355 S HN 1.440 nan 8.310 nan 0.000 0.501 356 G N 4.627 113.515 108.800 0.146 0.000 2.380 356 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.197 356 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.197 356 G C 0.016 175.038 174.900 0.203 0.000 1.001 356 G CA -0.395 44.804 45.100 0.165 0.000 0.668 356 G HN 0.633 nan 8.290 nan 0.000 0.483 357 I N 3.049 123.747 120.570 0.213 0.000 2.337 357 I HA 0.489 4.658 4.170 -0.000 0.000 0.291 357 I C 1.340 177.527 176.117 0.117 0.000 1.046 357 I CA 0.581 61.996 61.300 0.192 0.000 1.324 357 I CB 0.399 38.495 38.000 0.161 0.000 1.409 357 I HN 0.196 nan 8.210 nan 0.000 0.494 358 G N 4.466 113.328 108.800 0.104 0.000 2.782 358 G HA2 0.425 4.384 3.960 -0.000 0.000 0.201 358 G HA3 0.425 4.384 3.960 -0.000 0.000 0.201 358 G C 0.948 175.883 174.900 0.059 0.000 1.374 358 G CA 0.370 45.512 45.100 0.070 0.000 1.039 358 G HN 0.545 nan 8.290 nan 0.000 0.576 359 K N -1.248 119.180 120.400 0.047 0.000 2.103 359 K HA 0.201 4.521 4.320 -0.000 0.000 0.204 359 K C 2.500 179.125 176.600 0.042 0.000 1.052 359 K CA 1.667 57.976 56.287 0.037 0.000 0.945 359 K CB -0.898 31.619 32.500 0.028 0.000 0.722 359 K HN 0.261 nan 8.250 nan 0.000 0.443 360 V N 1.413 121.358 119.914 0.053 0.000 2.244 360 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 360 V C 2.734 178.880 176.094 0.087 0.000 1.042 360 V CA 2.434 64.772 62.300 0.063 0.000 1.006 360 V CB -0.592 31.271 31.823 0.067 0.000 0.641 360 V HN 0.628 nan 8.190 nan 0.000 0.446 361 T N -0.460 114.160 114.554 0.110 0.000 2.699 361 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 361 T C 1.820 176.566 174.700 0.077 0.000 1.036 361 T CA 2.025 64.207 62.100 0.137 0.000 1.147 361 T CB -0.284 68.701 68.868 0.195 0.000 0.862 361 T HN 0.653 nan 8.240 nan 0.000 0.446 362 E N 0.979 121.213 120.200 0.056 0.000 2.048 362 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 362 E C 2.288 178.901 176.600 0.022 0.000 1.021 362 E CA 1.639 58.053 56.400 0.023 0.000 0.825 362 E CB -0.132 29.581 29.700 0.023 0.000 0.756 362 E HN 0.403 nan 8.360 nan 0.000 0.454 363 K N -0.175 120.245 120.400 0.034 0.000 2.032 363 K HA -0.179 4.140 4.320 -0.000 0.000 0.209 363 K C 2.346 178.974 176.600 0.046 0.000 1.048 363 K CA 1.845 58.151 56.287 0.031 0.000 0.927 363 K CB -0.121 32.397 32.500 0.029 0.000 0.712 363 K HN 0.218 nan 8.250 nan 0.000 0.441 364 M N 0.673 120.320 119.600 0.079 0.000 2.108 364 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 364 M C 2.118 178.486 176.300 0.114 0.000 1.066 364 M CA 1.631 57.004 55.300 0.121 0.000 1.107 364 M CB -0.269 32.463 32.600 0.220 0.000 1.356 364 M HN 0.203 nan 8.290 nan 0.000 0.406 365 L N -0.525 120.737 121.223 0.064 0.000 2.109 365 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 365 L C 2.505 179.371 176.870 -0.008 0.000 1.086 365 L CA 1.009 55.849 54.840 -0.001 0.000 0.760 365 L CB -0.796 41.176 42.059 -0.145 0.000 0.910 365 L HN 0.324 nan 8.230 nan 0.000 0.437 366 K N 1.025 121.422 120.400 -0.006 0.000 2.211 366 K HA -0.209 4.111 4.320 -0.000 0.000 0.204 366 K C 2.041 178.642 176.600 0.002 0.000 1.047 366 K CA 1.341 57.623 56.287 -0.007 0.000 0.935 366 K CB -0.015 32.483 32.500 -0.004 0.000 0.728 366 K HN 0.282 nan 8.250 nan 0.000 0.452 367 A N 1.066 123.895 122.820 0.015 0.000 1.969 367 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 367 A C 1.843 179.433 177.584 0.011 0.000 1.169 367 A CA 0.978 53.024 52.037 0.015 0.000 0.635 367 A CB -0.309 18.706 19.000 0.025 0.000 0.810 367 A HN 0.335 nan 8.150 nan 0.000 0.445 368 L N -0.896 120.337 121.223 0.017 0.000 2.627 368 L HA 0.194 4.534 4.340 -0.000 0.000 0.233 368 L C 1.445 178.314 176.870 -0.003 0.000 1.144 368 L CA 0.445 55.292 54.840 0.012 0.000 0.892 368 L CB -0.383 41.695 42.059 0.032 0.000 1.039 368 L HN 0.581 nan 8.230 nan 0.000 0.442 369 G N 1.192 109.987 108.800 -0.007 0.000 2.149 369 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.235 369 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.235 369 G C 0.003 174.890 174.900 -0.022 0.000 1.018 369 G CA -0.236 44.856 45.100 -0.013 0.000 0.728 369 G HN 0.333 nan 8.290 nan 0.000 0.508 370 I N 0.553 121.105 120.570 -0.031 0.000 2.382 370 I HA 0.440 4.609 4.170 -0.000 0.000 0.286 370 I C 0.978 177.065 176.117 -0.051 0.000 1.002 370 I CA -1.011 60.259 61.300 -0.050 0.000 1.135 370 I CB 1.078 39.028 38.000 -0.084 0.000 1.288 370 I HN -0.064 nan 8.210 nan 0.000 0.448 371 I N 2.590 123.133 120.570 -0.044 0.000 4.046 371 I HA 0.057 4.226 4.170 -0.000 0.000 0.285 371 I C 1.138 177.228 176.117 -0.046 0.000 1.183 371 I CA 0.732 62.007 61.300 -0.041 0.000 1.337 371 I CB 0.601 38.581 38.000 -0.032 0.000 1.478 371 I HN 0.545 nan 8.210 nan 0.000 0.452 372 T N -1.966 112.563 114.554 -0.042 0.000 2.943 372 T HA 0.222 4.572 4.350 -0.000 0.000 0.284 372 T C 1.096 175.776 174.700 -0.033 0.000 1.015 372 T CA -0.437 61.636 62.100 -0.044 0.000 1.042 372 T CB 2.147 70.990 68.868 -0.042 0.000 1.055 372 T HN 0.170 nan 8.240 nan 0.000 0.500 373 C N 1.814 121.095 119.300 -0.031 0.000 2.409 373 C HA -0.030 4.430 4.460 -0.000 0.000 0.288 373 C C 2.815 177.819 174.990 0.024 0.000 1.395 373 C CA 1.204 60.217 59.018 -0.007 0.000 1.792 373 C CB -1.765 25.971 27.740 -0.006 0.000 1.847 373 C HN 1.052 nan 8.230 nan 0.000 0.534 374 T N 0.647 115.208 114.554 0.013 0.000 2.698 374 T HA -0.122 4.228 4.350 -0.000 0.000 0.260 374 T C 1.615 176.363 174.700 0.080 0.000 1.044 374 T CA 1.340 63.467 62.100 0.044 0.000 1.149 374 T CB -0.192 68.685 68.868 0.015 0.000 0.864 374 T HN 0.627 nan 8.240 nan 0.000 0.419 375 E N 0.749 120.968 120.200 0.031 0.000 2.171 375 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 375 E C 2.035 178.641 176.600 0.010 0.000 0.997 375 E CA 0.811 57.221 56.400 0.016 0.000 0.810 375 E CB -0.247 29.446 29.700 -0.011 0.000 0.738 375 E HN 0.214 nan 8.360 nan 0.000 0.467 376 L N -0.115 121.112 121.223 0.007 0.000 2.093 376 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 376 L C 2.217 179.119 176.870 0.054 0.000 1.085 376 L CA 1.576 56.406 54.840 -0.017 0.000 0.755 376 L CB -0.352 41.682 42.059 -0.041 0.000 0.904 376 L HN 0.167 nan 8.230 nan 0.000 0.435 377 Y N -0.418 119.874 120.300 -0.014 0.000 2.314 377 Y HA -0.189 4.361 4.550 -0.000 0.000 0.293 377 Y C 2.501 178.403 175.900 0.004 0.000 1.129 377 Y CA 1.580 59.684 58.100 0.006 0.000 1.201 377 Y CB -0.142 38.319 38.460 0.002 0.000 0.999 377 Y HN 0.290 nan 8.280 nan 0.000 0.541 378 Q N -0.057 119.745 119.800 0.003 0.000 2.181 378 Q HA -0.216 4.124 4.340 -0.000 0.000 0.205 378 Q C 1.295 177.219 176.000 -0.126 0.000 0.980 378 Q CA 1.685 57.447 55.803 -0.069 0.000 0.862 378 Q CB -0.053 28.694 28.738 0.016 0.000 0.905 378 Q HN 0.635 nan 8.270 nan 0.000 0.429 379 Q N -0.052 119.693 119.800 -0.092 0.000 2.212 379 Q HA 0.054 4.394 4.340 -0.000 0.000 0.213 379 Q C 1.211 177.163 176.000 -0.079 0.000 0.874 379 Q CA -0.213 55.546 55.803 -0.074 0.000 0.965 379 Q CB 0.413 29.128 28.738 -0.038 0.000 1.074 379 Q HN 0.360 nan 8.270 nan 0.000 0.473 380 R N -0.098 120.320 120.500 -0.136 0.000 2.159 380 R HA -0.107 4.233 4.340 -0.000 0.000 0.237 380 R C 1.799 178.009 176.300 -0.151 0.000 1.131 380 R CA 1.167 57.203 56.100 -0.107 0.000 0.982 380 R CB -0.521 29.681 30.300 -0.163 0.000 0.868 380 R HN 0.118 nan 8.270 nan 0.000 0.453 381 A N 2.717 125.444 122.820 -0.154 0.000 1.837 381 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 381 A C 2.295 179.795 177.584 -0.139 0.000 1.210 381 A CA 1.477 53.423 52.037 -0.152 0.000 0.632 381 A CB -0.909 18.023 19.000 -0.114 0.000 0.843 381 A HN 0.328 nan 8.150 nan 0.000 0.448 382 L N -0.481 120.693 121.223 -0.081 0.000 1.997 382 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 382 L C 2.696 179.563 176.870 -0.005 0.000 1.074 382 L CA 2.031 56.845 54.840 -0.043 0.000 0.763 382 L CB -0.523 41.529 42.059 -0.011 0.000 0.890 382 L HN 0.501 nan 8.230 nan 0.000 0.434 383 L N -0.390 120.872 121.223 0.065 0.000 2.089 383 L HA -0.263 4.077 4.340 -0.000 0.000 0.213 383 L C 2.675 179.656 176.870 0.185 0.000 1.079 383 L CA 1.766 56.774 54.840 0.280 0.000 0.758 383 L CB -0.663 41.583 42.059 0.312 0.000 0.891 383 L HN 0.469 nan 8.230 nan 0.000 0.433 384 S N -0.840 114.699 115.700 -0.267 0.000 2.522 384 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 384 S C 1.458 175.870 174.600 -0.314 0.000 0.986 384 S CA 0.398 58.084 58.200 -0.858 0.000 0.929 384 S CB -0.131 62.229 63.200 -1.401 0.000 0.769 384 S HN 0.474 nan 8.310 nan 0.000 0.529 385 L N -0.225 120.920 121.223 -0.130 0.000 2.858 385 L HA 0.462 4.802 4.340 -0.000 0.000 0.251 385 L C 1.234 178.079 176.870 -0.041 0.000 1.149 385 L CA 0.065 54.868 54.840 -0.062 0.000 0.955 385 L CB 0.119 42.129 42.059 -0.081 0.000 1.289 385 L HN 0.241 nan 8.230 nan 0.000 0.542 386 L N -1.269 119.936 121.223 -0.031 0.000 2.672 386 L HA 0.319 4.659 4.340 -0.000 0.000 0.236 386 L C -0.224 176.450 176.870 -0.328 0.000 1.092 386 L CA 0.232 54.946 54.840 -0.211 0.000 0.887 386 L CB 0.657 42.517 42.059 -0.331 0.000 1.168 386 L HN 0.030 nan 8.230 nan 0.000 0.502 387 F N 0.086 120.153 119.950 0.194 0.000 2.577 387 F HA 0.559 5.086 4.527 -0.000 0.000 0.318 387 F C 1.033 177.000 175.800 0.278 0.000 1.065 387 F CA -0.901 57.252 58.000 0.256 0.000 0.929 387 F CB 1.182 40.415 39.000 0.389 0.000 1.237 387 F HN -0.155 nan 8.300 nan 0.000 0.468 388 S N 0.717 116.652 115.700 0.392 0.000 2.571 388 S HA -0.078 4.392 4.470 -0.000 0.000 0.298 388 S C 1.465 176.214 174.600 0.248 0.000 1.280 388 S CA 0.493 58.834 58.200 0.234 0.000 1.052 388 S CB -0.209 63.066 63.200 0.124 0.000 0.799 388 S HN 0.888 nan 8.310 nan 0.000 0.501 389 E N 1.575 121.859 120.200 0.140 0.000 2.147 389 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 389 E C 1.681 177.980 176.600 -0.502 0.000 1.005 389 E CA 2.253 58.585 56.400 -0.113 0.000 0.810 389 E CB -0.292 29.325 29.700 -0.139 0.000 0.736 389 E HN 0.752 nan 8.360 nan 0.000 0.460 390 T N -0.441 113.938 114.554 -0.292 0.000 2.904 390 T HA -0.045 4.305 4.350 -0.000 0.000 0.267 390 T C 1.924 176.490 174.700 -0.224 0.000 1.059 390 T CA 1.057 62.981 62.100 -0.293 0.000 1.137 390 T CB -0.091 68.644 68.868 -0.221 0.000 0.879 390 T HN 0.146 nan 8.240 nan 0.000 0.467 391 S N 1.222 116.818 115.700 -0.173 0.000 2.368 391 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 391 S C 1.937 176.321 174.600 -0.360 0.000 1.029 391 S CA 1.015 59.007 58.200 -0.348 0.000 0.988 391 S CB -0.378 62.690 63.200 -0.220 0.000 0.838 391 S HN 0.824 nan 8.310 nan 0.000 0.462 392 W N 1.687 123.020 121.300 0.056 0.000 2.443 392 W HA 0.012 4.671 4.660 -0.000 0.000 0.296 392 W C 1.681 178.382 176.519 0.303 0.000 1.202 392 W CA 0.843 58.348 57.345 0.267 0.000 1.312 392 W CB -1.186 28.476 29.460 0.337 0.000 1.120 392 W HN 0.318 nan 8.180 nan 0.000 0.536 393 H N 0.079 118.839 119.070 -0.517 0.000 2.357 393 H HA -0.250 4.306 4.556 -0.000 0.000 0.296 393 H C 2.007 177.444 175.328 0.182 0.000 1.108 393 H CA 3.147 59.040 56.048 -0.259 0.000 1.273 393 H CB -1.038 28.490 29.762 -0.390 0.000 1.367 393 H HN 0.279 nan 8.280 nan 0.000 0.498 394 Y N -0.033 120.266 120.300 -0.000 0.000 2.130 394 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 394 Y C 2.061 178.020 175.900 0.097 0.000 1.124 394 Y CA 1.457 59.515 58.100 -0.069 0.000 1.118 394 Y CB -1.043 37.248 38.460 -0.281 0.000 0.994 394 Y HN 0.180 nan 8.280 nan 0.000 0.497 395 F N -0.417 119.511 119.950 -0.036 0.000 2.111 395 F HA -0.354 4.173 4.527 -0.000 0.000 0.300 395 F C 2.350 178.168 175.800 0.031 0.000 1.088 395 F CA 1.082 59.028 58.000 -0.089 0.000 1.243 395 F CB -0.686 38.322 39.000 0.014 0.000 0.996 395 F HN 0.247 nan 8.300 nan 0.000 0.483 396 L N 0.124 121.570 121.223 0.371 0.000 2.017 396 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 396 L C 2.188 179.155 176.870 0.162 0.000 1.073 396 L CA 2.006 57.021 54.840 0.292 0.000 0.745 396 L CB -1.104 41.168 42.059 0.356 0.000 0.894 396 L HN 0.030 nan 8.230 nan 0.000 0.432 397 H N -0.771 118.330 119.070 0.051 0.000 2.289 397 H HA -0.218 4.338 4.556 -0.000 0.000 0.294 397 H C 2.088 177.404 175.328 -0.021 0.000 1.095 397 H CA 2.703 58.747 56.048 -0.006 0.000 1.256 397 H CB -0.377 29.380 29.762 -0.008 0.000 1.359 397 H HN 0.334 nan 8.280 nan 0.000 0.487 398 I N -0.046 120.562 120.570 0.063 0.000 2.142 398 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 398 I C 2.675 178.818 176.117 0.044 0.000 1.078 398 I CA 1.653 62.955 61.300 0.004 0.000 1.343 398 I CB -0.657 37.291 38.000 -0.087 0.000 1.046 398 I HN 0.354 nan 8.210 nan 0.000 0.405 399 S N 0.986 116.735 115.700 0.081 0.000 2.387 399 S HA -0.186 4.284 4.470 -0.000 0.000 0.230 399 S C 1.863 176.497 174.600 0.056 0.000 1.035 399 S CA 1.366 59.632 58.200 0.111 0.000 1.014 399 S CB -0.992 62.341 63.200 0.221 0.000 0.836 399 S HN 0.470 nan 8.310 nan 0.000 0.466 400 L N 1.123 122.372 121.223 0.043 0.000 2.591 400 L HA 0.320 4.660 4.340 -0.000 0.000 0.228 400 L C 1.768 178.614 176.870 -0.040 0.000 1.133 400 L CA 0.286 55.097 54.840 -0.048 0.000 0.880 400 L CB -0.655 41.372 42.059 -0.053 0.000 1.033 400 L HN 0.608 nan 8.230 nan 0.000 0.450 401 G N 0.650 109.451 108.800 0.003 0.000 2.198 401 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 401 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 401 G C 0.160 175.070 174.900 0.016 0.000 1.025 401 G CA 0.016 45.129 45.100 0.022 0.000 0.769 401 G HN 0.247 nan 8.290 nan 0.000 0.507 402 L N -0.559 120.678 121.223 0.024 0.000 2.439 402 L HA 0.766 5.106 4.340 -0.000 0.000 0.259 402 L C 1.159 178.089 176.870 0.099 0.000 1.129 402 L CA 0.173 55.043 54.840 0.049 0.000 0.803 402 L CB 1.438 43.513 42.059 0.027 0.000 1.161 402 L HN 0.395 nan 8.230 nan 0.000 0.462 403 G N -0.334 108.519 108.800 0.088 0.000 2.570 403 G HA2 0.332 4.292 3.960 -0.000 0.000 0.310 403 G HA3 0.332 4.292 3.960 -0.000 0.000 0.310 403 G C -1.673 173.243 174.900 0.026 0.000 1.266 403 G CA -0.500 44.632 45.100 0.054 0.000 0.825 403 G HN 0.436 nan 8.290 nan 0.000 0.483 404 S N -0.109 115.573 115.700 -0.030 0.000 2.545 404 S HA 0.467 4.937 4.470 -0.000 0.000 0.275 404 S C 0.971 175.558 174.600 -0.022 0.000 1.299 404 S CA 0.227 58.407 58.200 -0.034 0.000 1.048 404 S CB 1.410 64.552 63.200 -0.097 0.000 0.938 404 S HN 0.872 nan 8.310 nan 0.000 0.496 405 T N -1.253 113.317 114.554 0.027 0.000 3.044 405 T HA 0.184 4.533 4.350 -0.000 0.000 0.260 405 T C 0.106 174.870 174.700 0.107 0.000 1.019 405 T CA -0.060 62.066 62.100 0.045 0.000 0.921 405 T CB -0.249 68.643 68.868 0.039 0.000 1.053 405 T HN 0.784 nan 8.240 nan 0.000 0.533 406 H N 0.998 120.050 119.070 -0.030 0.000 3.108 406 H HA 0.384 4.940 4.556 -0.000 0.000 0.329 406 H C -1.259 174.051 175.328 -0.031 0.000 0.978 406 H CA -0.868 55.169 56.048 -0.018 0.000 1.413 406 H CB 1.015 30.769 29.762 -0.013 0.000 1.670 406 H HN 0.118 nan 8.280 nan 0.000 0.512 407 L N 6.123 127.161 121.223 -0.309 0.000 2.433 407 L HA 0.059 4.399 4.340 -0.000 0.000 0.284 407 L C 1.632 178.217 176.870 -0.475 0.000 1.120 407 L CA -0.270 54.398 54.840 -0.286 0.000 0.879 407 L CB 0.559 42.559 42.059 -0.099 0.000 1.232 407 L HN 0.728 nan 8.230 nan 0.000 0.454 408 T N 0.779 115.094 114.554 -0.398 0.000 2.680 408 T HA -0.354 3.996 4.350 -0.000 0.000 0.268 408 T C 1.751 176.332 174.700 -0.199 0.000 1.033 408 T CA 1.942 63.865 62.100 -0.295 0.000 1.152 408 T CB -0.494 68.290 68.868 -0.139 0.000 0.859 408 T HN 0.854 nan 8.240 nan 0.000 0.452 409 R N 1.458 121.865 120.500 -0.155 0.000 3.516 409 R HA -0.226 4.114 4.340 -0.000 0.000 0.271 409 R C 0.185 176.434 176.300 -0.085 0.000 1.098 409 R CA 1.805 57.834 56.100 -0.119 0.000 0.732 409 R CB -2.921 27.302 30.300 -0.127 0.000 1.152 409 R HN 0.921 nan 8.270 nan 0.000 0.455 410 D N -1.622 118.736 120.400 -0.070 0.000 2.158 410 D HA 0.707 5.347 4.640 -0.000 0.000 0.275 410 D C 1.314 177.589 176.300 -0.042 0.000 1.170 410 D CA 0.690 54.663 54.000 -0.046 0.000 1.007 410 D CB 0.243 41.020 40.800 -0.037 0.000 1.144 410 D HN 1.471 nan 8.370 nan 0.000 0.509 411 G N -3.151 105.631 108.800 -0.030 0.000 2.373 411 G HA2 0.551 4.511 3.960 -0.000 0.000 0.250 411 G HA3 0.551 4.511 3.960 -0.000 0.000 0.250 411 G C -0.976 173.913 174.900 -0.019 0.000 1.304 411 G CA 0.872 45.956 45.100 -0.027 0.000 0.948 411 G HN 1.382 nan 8.290 nan 0.000 0.474 412 E N -1.207 118.978 120.200 -0.026 0.000 7.524 412 E HA 0.263 4.612 4.350 -0.000 0.000 0.404 412 E C 0.197 176.789 176.600 -0.013 0.000 0.526 412 E CA 1.594 57.979 56.400 -0.026 0.000 0.977 412 E CB -1.321 28.372 29.700 -0.010 0.000 0.947 412 E HN 2.026 nan 8.360 nan 0.000 0.263 413 R N 1.092 121.568 120.500 -0.040 0.000 2.390 413 R HA 0.739 5.079 4.340 -0.000 0.000 0.291 413 R C 1.314 177.687 176.300 0.121 0.000 1.070 413 R CA 0.394 56.490 56.100 -0.007 0.000 1.014 413 R CB 1.072 31.326 30.300 -0.077 0.000 1.007 413 R HN 1.014 nan 8.270 nan 0.000 0.466 414 K N 2.237 122.739 120.400 0.170 0.000 2.137 414 K HA 0.001 4.321 4.320 -0.000 0.000 0.202 414 K C 0.998 177.831 176.600 0.389 0.000 1.052 414 K CA 1.307 57.732 56.287 0.230 0.000 0.961 414 K CB -0.142 32.419 32.500 0.102 0.000 0.741 414 K HN 0.900 nan 8.250 nan 0.000 0.452 415 S N -1.893 114.034 115.700 0.377 0.000 2.638 415 S HA 0.737 5.207 4.470 -0.000 0.000 0.274 415 S C -0.782 174.015 174.600 0.328 0.000 1.157 415 S CA -0.681 57.749 58.200 0.384 0.000 0.826 415 S CB 1.389 64.665 63.200 0.126 0.000 1.139 415 S HN 0.406 nan 8.310 nan 0.000 0.474 416 M N 1.743 121.538 119.600 0.325 0.000 2.457 416 M HA 0.689 5.169 4.480 -0.000 0.000 0.300 416 M C -1.379 174.994 176.300 0.122 0.000 1.141 416 M CA -0.199 55.206 55.300 0.174 0.000 0.901 416 M CB 2.168 34.858 32.600 0.150 0.000 1.687 416 M HN 0.890 nan 8.290 nan 0.000 0.449 417 S N 2.354 118.100 115.700 0.076 0.000 2.546 417 S HA 0.875 5.345 4.470 -0.000 0.000 0.274 417 S C -1.925 172.704 174.600 0.048 0.000 1.121 417 S CA -0.549 57.687 58.200 0.060 0.000 0.887 417 S CB 2.047 65.277 63.200 0.049 0.000 1.094 417 S HN 0.554 nan 8.310 nan 0.000 0.474 418 V N 4.126 124.071 119.914 0.053 0.000 2.668 418 V HA 0.616 4.736 4.120 -0.000 0.000 0.304 418 V C -0.772 175.357 176.094 0.059 0.000 1.071 418 V CA -0.592 61.739 62.300 0.052 0.000 0.894 418 V CB 1.649 33.506 31.823 0.056 0.000 1.008 418 V HN 0.953 nan 8.190 nan 0.000 0.425 419 E N 4.488 124.722 120.200 0.057 0.000 2.408 419 E HA 0.858 5.208 4.350 -0.000 0.000 0.275 419 E C -1.149 175.488 176.600 0.062 0.000 0.935 419 E CA -1.330 55.105 56.400 0.058 0.000 0.775 419 E CB 3.264 32.987 29.700 0.039 0.000 1.277 419 E HN 0.495 nan 8.360 nan 0.000 0.455 420 R N 0.732 121.268 120.500 0.060 0.000 2.535 420 R HA 0.352 4.692 4.340 -0.000 0.000 0.274 420 R C -1.582 174.671 176.300 -0.079 0.000 1.090 420 R CA -0.290 55.853 56.100 0.071 0.000 0.930 420 R CB 2.565 32.972 30.300 0.180 0.000 1.223 420 R HN 0.676 nan 8.270 nan 0.000 0.441 421 T N 4.457 118.930 114.554 -0.135 0.000 2.867 421 T HA 0.688 5.038 4.350 -0.000 0.000 0.282 421 T C -1.126 173.441 174.700 -0.221 0.000 1.000 421 T CA -0.236 61.632 62.100 -0.386 0.000 1.042 421 T CB 0.606 69.354 68.868 -0.200 0.000 0.973 421 T HN 0.380 nan 8.240 nan 0.000 0.465 422 F N -1.097 118.856 119.950 0.006 0.000 2.668 422 F HA 0.691 5.218 4.527 -0.000 0.000 0.309 422 F C -0.072 175.721 175.800 -0.011 0.000 1.117 422 F CA -1.568 56.433 58.000 0.003 0.000 0.951 422 F CB 0.662 39.664 39.000 0.002 0.000 1.323 422 F HN 0.390 nan 8.300 nan 0.000 0.451 423 S N 0.880 116.750 115.700 0.282 0.000 2.558 423 S HA -0.005 4.465 4.470 -0.000 0.000 0.293 423 S C 0.119 174.872 174.600 0.255 0.000 1.292 423 S CA -0.103 58.205 58.200 0.179 0.000 1.063 423 S CB -0.083 63.178 63.200 0.101 0.000 0.831 423 S HN 0.838 nan 8.310 nan 0.000 0.499 424 E N 2.670 122.967 120.200 0.161 0.000 2.696 424 E HA -0.078 4.272 4.350 -0.000 0.000 0.270 424 E C -0.804 175.873 176.600 0.128 0.000 0.958 424 E CA 0.718 57.215 56.400 0.161 0.000 0.964 424 E CB 0.254 29.994 29.700 0.067 0.000 0.948 424 E HN 0.513 nan 8.360 nan 0.000 0.472 425 I N 4.439 125.096 120.570 0.144 0.000 2.497 425 I HA 0.140 4.310 4.170 -0.000 0.000 0.284 425 I C 0.034 176.170 176.117 0.032 0.000 1.060 425 I CA -0.670 60.634 61.300 0.006 0.000 1.071 425 I CB 1.414 39.302 38.000 -0.188 0.000 1.216 425 I HN 0.553 nan 8.210 nan 0.000 0.442 426 N N 4.282 122.992 118.700 0.015 0.000 2.171 426 N HA 0.058 4.798 4.740 -0.000 0.000 0.212 426 N C 0.119 175.641 175.510 0.020 0.000 1.184 426 N CA -0.324 52.740 53.050 0.022 0.000 0.888 426 N CB 0.431 38.931 38.487 0.023 0.000 1.038 426 N HN 0.386 nan 8.380 nan 0.000 0.517 427 K N 0.795 121.201 120.400 0.010 0.000 2.268 427 K HA 0.494 4.814 4.320 -0.000 0.000 0.276 427 K C 0.827 177.450 176.600 0.038 0.000 1.080 427 K CA -0.222 56.080 56.287 0.026 0.000 0.910 427 K CB 0.882 33.392 32.500 0.017 0.000 1.163 427 K HN 0.109 nan 8.250 nan 0.000 0.465 428 A N 3.718 126.581 122.820 0.072 0.000 1.997 428 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 428 A C 1.890 179.616 177.584 0.236 0.000 1.172 428 A CA 1.957 54.063 52.037 0.115 0.000 0.645 428 A CB -0.405 18.721 19.000 0.210 0.000 0.813 428 A HN 0.971 nan 8.150 nan 0.000 0.454 429 E N -0.464 119.842 120.200 0.177 0.000 2.110 429 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 429 E C 1.829 178.511 176.600 0.137 0.000 0.988 429 E CA 1.522 58.022 56.400 0.166 0.000 0.804 429 E CB -0.046 29.706 29.700 0.086 0.000 0.745 429 E HN 0.834 nan 8.360 nan 0.000 0.458 430 E N -0.176 120.063 120.200 0.065 0.000 2.127 430 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 430 E C 2.180 178.771 176.600 -0.015 0.000 0.964 430 E CA 0.187 56.589 56.400 0.004 0.000 0.832 430 E CB -0.026 29.639 29.700 -0.059 0.000 0.790 430 E HN 0.229 nan 8.360 nan 0.000 0.465 431 Q N 0.331 120.108 119.800 -0.039 0.000 2.118 431 Q HA -0.244 4.096 4.340 -0.000 0.000 0.211 431 Q C 1.779 177.742 176.000 -0.062 0.000 0.998 431 Q CA 1.857 57.606 55.803 -0.090 0.000 0.872 431 Q CB -0.365 28.284 28.738 -0.149 0.000 0.925 431 Q HN 0.408 nan 8.270 nan 0.000 0.414 432 Y N 0.266 120.609 120.300 0.073 0.000 2.242 432 Y HA -0.206 4.344 4.550 -0.000 0.000 0.291 432 Y C 2.874 178.868 175.900 0.157 0.000 1.137 432 Y CA 1.267 59.455 58.100 0.146 0.000 1.181 432 Y CB -0.031 38.514 38.460 0.142 0.000 0.989 432 Y HN 0.224 nan 8.280 nan 0.000 0.527 433 S N -0.451 115.366 115.700 0.195 0.000 2.470 433 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 433 S C 1.903 176.503 174.600 0.001 0.000 1.006 433 S CA 0.322 58.556 58.200 0.057 0.000 0.934 433 S CB -0.525 62.687 63.200 0.020 0.000 0.778 433 S HN 0.485 nan 8.310 nan 0.000 0.517 434 L N 1.102 122.328 121.223 0.005 0.000 2.027 434 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 434 L C 2.765 179.665 176.870 0.051 0.000 1.074 434 L CA 1.850 56.681 54.840 -0.014 0.000 0.745 434 L CB -1.025 40.987 42.059 -0.077 0.000 0.898 434 L HN 0.623 nan 8.230 nan 0.000 0.433 435 C N 0.145 119.514 119.300 0.114 0.000 2.403 435 C HA -0.230 4.230 4.460 -0.000 0.000 0.279 435 C C 2.814 177.938 174.990 0.224 0.000 1.269 435 C CA 1.641 60.779 59.018 0.201 0.000 1.774 435 C CB -0.845 27.061 27.740 0.277 0.000 1.993 435 C HN 0.644 nan 8.230 nan 0.000 0.496 436 Q N 0.054 119.884 119.800 0.049 0.000 2.020 436 Q HA -0.184 4.156 4.340 -0.000 0.000 0.198 436 Q C 2.197 178.094 176.000 -0.173 0.000 0.974 436 Q CA 1.845 57.419 55.803 -0.381 0.000 0.829 436 Q CB -0.225 28.053 28.738 -0.766 0.000 0.894 436 Q HN 0.745 nan 8.270 nan 0.000 0.433 437 E N 0.365 120.508 120.200 -0.096 0.000 2.118 437 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 437 E C 2.117 178.718 176.600 0.000 0.000 0.992 437 E CA 1.094 57.467 56.400 -0.046 0.000 0.804 437 E CB -0.052 29.632 29.700 -0.027 0.000 0.741 437 E HN 0.352 nan 8.360 nan 0.000 0.458 438 L N 0.177 121.421 121.223 0.035 0.000 1.950 438 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 438 L C 2.684 179.596 176.870 0.069 0.000 1.079 438 L CA 0.948 55.827 54.840 0.066 0.000 0.754 438 L CB -0.682 41.434 42.059 0.095 0.000 0.889 438 L HN 0.298 nan 8.230 nan 0.000 0.433 439 C N -0.662 118.701 119.300 0.105 0.000 2.369 439 C HA -0.278 4.182 4.460 -0.000 0.000 0.273 439 C C 3.379 178.414 174.990 0.075 0.000 1.172 439 C CA 1.636 60.730 59.018 0.125 0.000 1.791 439 C CB -0.933 26.951 27.740 0.238 0.000 2.086 439 C HN 0.615 nan 8.230 nan 0.000 0.459 440 S N -0.546 115.170 115.700 0.026 0.000 2.348 440 S HA -0.205 4.265 4.470 -0.000 0.000 0.221 440 S C 1.984 176.595 174.600 0.018 0.000 1.033 440 S CA 1.778 59.980 58.200 0.004 0.000 1.010 440 S CB -0.434 62.741 63.200 -0.042 0.000 0.891 440 S HN 0.721 nan 8.310 nan 0.000 0.442 441 E N -0.026 120.186 120.200 0.021 0.000 2.118 441 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 441 E C 2.086 178.707 176.600 0.036 0.000 0.992 441 E CA 1.261 57.677 56.400 0.027 0.000 0.804 441 E CB -0.223 29.497 29.700 0.032 0.000 0.741 441 E HN 0.420 nan 8.360 nan 0.000 0.458 442 L N 1.072 122.324 121.223 0.048 0.000 1.989 442 L HA -0.157 4.182 4.340 -0.000 0.000 0.211 442 L C 2.313 179.215 176.870 0.055 0.000 1.071 442 L CA 2.347 57.221 54.840 0.057 0.000 0.749 442 L CB -1.103 40.999 42.059 0.072 0.000 0.890 442 L HN 0.115 nan 8.230 nan 0.000 0.431 443 A N -0.958 121.896 122.820 0.056 0.000 1.903 443 A HA -0.348 3.972 4.320 -0.000 0.000 0.219 443 A C 2.182 179.788 177.584 0.037 0.000 1.191 443 A CA 2.362 54.429 52.037 0.052 0.000 0.638 443 A CB -0.791 18.238 19.000 0.049 0.000 0.823 443 A HN 0.717 nan 8.150 nan 0.000 0.451 444 Q N -0.832 118.985 119.800 0.028 0.000 2.050 444 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 444 Q C 1.718 177.727 176.000 0.016 0.000 0.980 444 Q CA 1.477 57.291 55.803 0.019 0.000 0.840 444 Q CB -0.329 28.418 28.738 0.015 0.000 0.898 444 Q HN 0.649 nan 8.270 nan 0.000 0.424 445 D N 0.842 121.253 120.400 0.019 0.000 2.104 445 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 445 D C 1.910 178.213 176.300 0.005 0.000 0.994 445 D CA 0.814 54.821 54.000 0.011 0.000 0.830 445 D CB -0.269 40.540 40.800 0.015 0.000 0.959 445 D HN 0.088 nan 8.370 nan 0.000 0.452 446 L N 0.946 122.180 121.223 0.019 0.000 2.127 446 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 446 L C 2.162 179.031 176.870 -0.001 0.000 1.089 446 L CA 1.567 56.416 54.840 0.015 0.000 0.757 446 L CB -0.374 41.723 42.059 0.063 0.000 0.899 446 L HN -0.062 nan 8.230 nan 0.000 0.434 447 Q N -0.014 119.791 119.800 0.009 0.000 2.079 447 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 447 Q C 2.168 178.164 176.000 -0.007 0.000 0.974 447 Q CA 1.619 57.424 55.803 0.005 0.000 0.840 447 Q CB -0.057 28.687 28.738 0.011 0.000 0.898 447 Q HN 0.562 nan 8.270 nan 0.000 0.430 448 K N 0.378 120.773 120.400 -0.009 0.000 2.360 448 K HA -0.112 4.207 4.320 -0.000 0.000 0.201 448 K C 1.340 177.925 176.600 -0.025 0.000 1.046 448 K CA 0.783 57.062 56.287 -0.013 0.000 0.945 448 K CB 0.146 32.640 32.500 -0.009 0.000 0.750 448 K HN 0.249 nan 8.250 nan 0.000 0.464 449 E N 0.489 120.665 120.200 -0.041 0.000 2.481 449 E HA 0.016 4.366 4.350 -0.000 0.000 0.198 449 E C -0.295 176.267 176.600 -0.063 0.000 1.027 449 E CA -0.213 56.149 56.400 -0.063 0.000 0.900 449 E CB 0.310 29.948 29.700 -0.103 0.000 0.993 449 E HN 0.143 nan 8.360 nan 0.000 0.482 450 R N 1.200 121.675 120.500 -0.041 0.000 3.109 450 R HA -0.200 4.140 4.340 -0.000 0.000 0.241 450 R C -0.950 175.325 176.300 -0.042 0.000 0.882 450 R CA 0.106 56.189 56.100 -0.029 0.000 0.604 450 R CB -1.335 28.953 30.300 -0.019 0.000 1.040 450 R HN 0.045 nan 8.270 nan 0.000 0.480 451 L N 1.237 122.424 121.223 -0.060 0.000 2.325 451 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 451 L C -0.175 176.714 176.870 0.033 0.000 1.023 451 L CA -0.042 54.742 54.840 -0.094 0.000 0.811 451 L CB 1.644 43.520 42.059 -0.306 0.000 1.249 451 L HN 0.084 nan 8.230 nan 0.000 0.431 452 K N 2.051 122.523 120.400 0.120 0.000 2.385 452 K HA 0.877 5.196 4.320 -0.000 0.000 0.248 452 K C -0.861 175.955 176.600 0.360 0.000 0.955 452 K CA -0.996 55.407 56.287 0.192 0.000 0.816 452 K CB 2.277 34.842 32.500 0.110 0.000 1.250 452 K HN 0.728 nan 8.250 nan 0.000 0.434 453 G N 0.637 109.576 108.800 0.232 0.000 2.720 453 G HA2 0.283 4.243 3.960 -0.000 0.000 0.295 453 G HA3 0.283 4.243 3.960 -0.000 0.000 0.295 453 G C -0.339 174.533 174.900 -0.046 0.000 1.437 453 G CA -0.595 44.541 45.100 0.059 0.000 0.886 453 G HN 0.541 nan 8.290 nan 0.000 0.509 454 R N -0.507 119.923 120.500 -0.116 0.000 2.140 454 R HA 0.173 4.513 4.340 -0.000 0.000 0.213 454 R C 0.726 176.970 176.300 -0.093 0.000 1.059 454 R CA 0.637 56.689 56.100 -0.079 0.000 1.000 454 R CB 0.264 30.522 30.300 -0.070 0.000 0.910 454 R HN 0.444 nan 8.270 nan 0.000 0.455 455 T N 0.644 115.109 114.554 -0.149 0.000 2.902 455 T HA 0.484 4.834 4.350 -0.000 0.000 0.283 455 T C -0.905 173.736 174.700 -0.100 0.000 1.009 455 T CA -0.352 61.677 62.100 -0.118 0.000 1.051 455 T CB 2.363 71.153 68.868 -0.131 0.000 0.999 455 T HN -0.234 nan 8.240 nan 0.000 0.474 456 V N 2.712 122.591 119.914 -0.058 0.000 2.668 456 V HA 0.547 4.667 4.120 -0.000 0.000 0.304 456 V C -0.551 175.530 176.094 -0.021 0.000 1.071 456 V CA -0.682 61.600 62.300 -0.030 0.000 0.894 456 V CB 2.466 34.281 31.823 -0.013 0.000 1.008 456 V HN 1.015 nan 8.190 nan 0.000 0.425 457 T N 6.293 120.841 114.554 -0.010 0.000 2.881 457 T HA 0.583 4.933 4.350 -0.000 0.000 0.290 457 T C -0.540 174.167 174.700 0.012 0.000 1.000 457 T CA -0.302 61.796 62.100 -0.004 0.000 0.978 457 T CB 1.603 70.466 68.868 -0.007 0.000 0.997 457 T HN 0.639 nan 8.240 nan 0.000 0.443 458 I N 0.839 121.416 120.570 0.012 0.000 2.793 458 I HA 0.761 4.930 4.170 -0.000 0.000 0.313 458 I C -0.747 175.381 176.117 0.019 0.000 0.998 458 I CA -1.079 60.235 61.300 0.023 0.000 1.140 458 I CB 1.642 39.655 38.000 0.023 0.000 1.327 458 I HN 0.661 nan 8.210 nan 0.000 0.491 459 K N 6.125 126.540 120.400 0.026 0.000 2.637 459 K HA 0.578 4.898 4.320 -0.000 0.000 0.248 459 K C -2.113 174.501 176.600 0.022 0.000 0.971 459 K CA -0.575 55.725 56.287 0.022 0.000 0.858 459 K CB 1.400 33.914 32.500 0.023 0.000 1.170 459 K HN 0.769 nan 8.250 nan 0.000 0.443 460 L N 2.596 123.828 121.223 0.016 0.000 2.330 460 L HA 0.621 4.961 4.340 -0.000 0.000 0.271 460 L C -0.581 176.287 176.870 -0.002 0.000 1.013 460 L CA -1.092 53.756 54.840 0.013 0.000 0.816 460 L CB 1.817 43.886 42.059 0.016 0.000 1.287 460 L HN 0.514 nan 8.230 nan 0.000 0.435 461 K N 1.536 121.919 120.400 -0.028 0.000 2.507 461 K HA 0.366 4.686 4.320 -0.000 0.000 0.252 461 K C -0.655 175.896 176.600 -0.081 0.000 0.943 461 K CA -0.660 55.598 56.287 -0.048 0.000 0.808 461 K CB 1.179 33.635 32.500 -0.073 0.000 1.142 461 K HN 0.504 nan 8.250 nan 0.000 0.426 462 N N 1.427 120.091 118.700 -0.060 0.000 2.202 462 N HA -0.101 4.639 4.740 -0.000 0.000 0.218 462 N C 1.047 176.457 175.510 -0.167 0.000 1.328 462 N CA -0.080 52.927 53.050 -0.073 0.000 0.884 462 N CB 0.379 38.843 38.487 -0.039 0.000 1.106 462 N HN 0.324 nan 8.380 nan 0.000 0.439 463 V N 0.715 120.547 119.914 -0.136 0.000 2.759 463 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 463 V C 0.978 176.935 176.094 -0.228 0.000 1.080 463 V CA 1.308 63.494 62.300 -0.191 0.000 1.101 463 V CB -0.522 31.252 31.823 -0.082 0.000 0.698 463 V HN 0.472 nan 8.190 nan 0.000 0.477 464 N N -0.495 118.145 118.700 -0.099 0.000 2.276 464 N HA 0.141 4.881 4.740 -0.000 0.000 0.212 464 N C 0.431 176.079 175.510 0.231 0.000 1.127 464 N CA -0.000 53.094 53.050 0.074 0.000 0.834 464 N CB 0.178 38.709 38.487 0.074 0.000 1.014 464 N HN 0.454 nan 8.380 nan 0.000 0.491 465 F N -0.551 119.426 119.950 0.045 0.000 2.871 465 F HA -0.269 4.258 4.527 -0.000 0.000 0.326 465 F C 0.376 176.192 175.800 0.027 0.000 0.675 465 F CA 0.369 58.402 58.000 0.054 0.000 1.188 465 F CB -1.882 37.184 39.000 0.110 0.000 1.567 465 F HN 0.009 nan 8.300 nan 0.000 0.325 466 E N 0.631 120.908 120.200 0.128 0.000 2.360 466 E HA 0.408 4.757 4.350 -0.000 0.000 0.269 466 E C -0.224 176.407 176.600 0.053 0.000 1.022 466 E CA -0.116 56.330 56.400 0.076 0.000 0.887 466 E CB 1.097 30.823 29.700 0.044 0.000 0.990 466 E HN 0.059 nan 8.360 nan 0.000 0.426 467 V N 4.017 123.961 119.914 0.051 0.000 2.459 467 V HA 0.298 4.417 4.120 -0.000 0.000 0.295 467 V C -0.011 176.098 176.094 0.026 0.000 1.029 467 V CA -0.673 61.649 62.300 0.037 0.000 0.874 467 V CB 1.693 33.545 31.823 0.047 0.000 0.985 467 V HN 0.571 nan 8.190 nan 0.000 0.438 468 K N 1.653 122.065 120.400 0.019 0.000 2.185 468 K HA 0.786 5.106 4.320 -0.000 0.000 0.240 468 K C -0.678 175.931 176.600 0.014 0.000 0.983 468 K CA -0.449 55.847 56.287 0.015 0.000 0.873 468 K CB 1.900 34.408 32.500 0.014 0.000 1.118 468 K HN 0.697 nan 8.250 nan 0.000 0.441 469 T N 1.927 116.488 114.554 0.011 0.000 3.335 469 T HA 0.335 4.685 4.350 -0.000 0.000 0.321 469 T C -1.704 172.999 174.700 0.005 0.000 0.960 469 T CA -0.781 61.324 62.100 0.009 0.000 1.034 469 T CB 0.429 69.303 68.868 0.010 0.000 1.040 469 T HN 0.364 nan 8.240 nan 0.000 0.454 470 R N 2.207 122.708 120.500 0.003 0.000 2.480 470 R HA 0.827 5.167 4.340 -0.000 0.000 0.306 470 R C -0.552 175.744 176.300 -0.006 0.000 0.958 470 R CA -0.663 55.437 56.100 -0.002 0.000 0.861 470 R CB 1.917 32.216 30.300 -0.001 0.000 1.171 470 R HN 0.652 nan 8.270 nan 0.000 0.445 471 A N 1.197 124.011 122.820 -0.010 0.000 2.322 471 A HA 0.762 5.081 4.320 -0.000 0.000 0.327 471 A C -0.583 176.989 177.584 -0.020 0.000 1.134 471 A CA -0.633 51.394 52.037 -0.017 0.000 0.831 471 A CB 1.762 20.750 19.000 -0.021 0.000 1.288 471 A HN 0.568 nan 8.150 nan 0.000 0.472 472 S N -0.606 115.079 115.700 -0.026 0.000 2.584 472 S HA 0.549 5.019 4.470 -0.000 0.000 0.280 472 S C -1.015 173.565 174.600 -0.034 0.000 1.162 472 S CA 0.138 58.322 58.200 -0.027 0.000 0.951 472 S CB 1.389 64.575 63.200 -0.024 0.000 1.108 472 S HN 1.472 nan 8.310 nan 0.000 0.464 473 T N 3.607 118.140 114.554 -0.035 0.000 2.841 473 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 473 T C 1.157 175.838 174.700 -0.030 0.000 1.000 473 T CA -0.088 61.988 62.100 -0.040 0.000 0.977 473 T CB 0.931 69.769 68.868 -0.050 0.000 0.979 473 T HN 0.925 nan 8.240 nan 0.000 0.446 474 V N 2.796 122.693 119.914 -0.028 0.000 2.450 474 V HA 0.389 4.509 4.120 -0.000 0.000 0.222 474 V C 1.487 177.571 176.094 -0.017 0.000 1.102 474 V CA 1.488 63.776 62.300 -0.020 0.000 1.102 474 V CB -0.908 30.906 31.823 -0.015 0.000 0.715 474 V HN 1.329 nan 8.190 nan 0.000 0.491 475 S N -3.026 112.665 115.700 -0.014 0.000 4.370 475 S HA -0.034 4.435 4.470 -0.000 0.000 0.066 475 S C 0.927 175.524 174.600 -0.005 0.000 0.840 475 S CA 0.428 58.621 58.200 -0.011 0.000 1.142 475 S CB -1.352 61.842 63.200 -0.009 0.000 0.604 475 S HN 0.615 nan 8.310 nan 0.000 0.776 476 S N 1.451 117.150 115.700 -0.002 0.000 2.327 476 S HA 0.633 5.103 4.470 -0.000 0.000 0.157 476 S C 1.485 176.090 174.600 0.008 0.000 1.227 476 S CA 1.044 59.246 58.200 0.004 0.000 1.907 476 S CB -0.134 63.070 63.200 0.006 0.000 0.563 476 S HN 1.321 nan 8.310 nan 0.000 0.377 477 V N -2.843 117.079 119.914 0.013 0.000 5.994 477 V HA 0.604 4.724 4.120 -0.000 0.000 0.089 477 V C 0.128 176.237 176.094 0.025 0.000 0.983 477 V CA -0.155 62.158 62.300 0.022 0.000 1.023 477 V CB -0.115 31.731 31.823 0.039 0.000 1.609 477 V HN 0.600 nan 8.190 nan 0.000 0.642 478 V N -0.257 119.679 119.914 0.036 0.000 3.167 478 V HA 0.109 4.229 4.120 -0.000 0.000 0.458 478 V C 0.513 176.643 176.094 0.060 0.000 0.682 478 V CA 0.971 63.296 62.300 0.041 0.000 1.996 478 V CB -0.015 31.828 31.823 0.032 0.000 2.467 478 V HN 1.322 nan 8.190 nan 0.000 0.494 479 S N 2.641 118.378 115.700 0.061 0.000 3.640 479 S HA 0.253 4.723 4.470 -0.000 0.000 0.246 479 S C 0.675 175.313 174.600 0.063 0.000 1.133 479 S CA 1.241 59.482 58.200 0.068 0.000 0.882 479 S CB 0.729 63.964 63.200 0.058 0.000 1.015 479 S HN 1.567 nan 8.310 nan 0.000 0.469 480 T N 1.275 115.862 114.554 0.055 0.000 2.816 480 T HA 0.618 4.967 4.350 -0.000 0.000 0.282 480 T C 1.523 176.264 174.700 0.068 0.000 0.993 480 T CA 0.413 62.545 62.100 0.053 0.000 0.994 480 T CB 0.946 69.840 68.868 0.043 0.000 1.025 480 T HN 0.405 nan 8.240 nan 0.000 0.529 481 A N 2.348 125.204 122.820 0.060 0.000 1.870 481 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 481 A C 2.048 179.705 177.584 0.123 0.000 1.224 481 A CA 2.610 54.691 52.037 0.072 0.000 0.650 481 A CB -1.296 17.718 19.000 0.023 0.000 0.836 481 A HN 0.938 nan 8.150 nan 0.000 0.454 482 E N 0.053 120.314 120.200 0.102 0.000 2.085 482 E HA -0.206 4.143 4.350 -0.000 0.000 0.194 482 E C 2.025 178.721 176.600 0.160 0.000 0.994 482 E CA 1.728 58.215 56.400 0.145 0.000 0.801 482 E CB -0.285 29.469 29.700 0.091 0.000 0.743 482 E HN 0.930 nan 8.360 nan 0.000 0.453 483 E N 0.295 120.559 120.200 0.106 0.000 2.112 483 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 483 E C 2.055 178.702 176.600 0.078 0.000 0.979 483 E CA 0.625 57.072 56.400 0.077 0.000 0.814 483 E CB -0.207 29.525 29.700 0.054 0.000 0.762 483 E HN 0.181 nan 8.360 nan 0.000 0.460 484 I N 0.855 121.486 120.570 0.102 0.000 2.406 484 I HA -0.135 4.035 4.170 -0.000 0.000 0.249 484 I C 1.960 178.157 176.117 0.133 0.000 1.122 484 I CA 0.866 62.224 61.300 0.098 0.000 1.431 484 I CB -0.406 37.653 38.000 0.099 0.000 1.087 484 I HN 0.081 nan 8.210 nan 0.000 0.424 485 F N 2.306 122.276 119.950 0.033 0.000 2.216 485 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 485 F C 2.345 178.169 175.800 0.041 0.000 1.085 485 F CA 1.315 59.340 58.000 0.041 0.000 1.326 485 F CB -0.499 38.526 39.000 0.041 0.000 1.027 485 F HN 0.110 nan 8.300 nan 0.000 0.497 486 A N 0.669 123.464 122.820 -0.041 0.000 1.948 486 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 486 A C 2.176 179.663 177.584 -0.162 0.000 1.177 486 A CA 2.394 54.358 52.037 -0.123 0.000 0.636 486 A CB -1.093 17.897 19.000 -0.016 0.000 0.815 486 A HN 0.509 nan 8.150 nan 0.000 0.449 487 I N -1.186 119.323 120.570 -0.101 0.000 2.731 487 I HA 0.028 4.198 4.170 -0.000 0.000 0.260 487 I C 2.733 178.796 176.117 -0.090 0.000 1.138 487 I CA 0.803 62.057 61.300 -0.076 0.000 1.461 487 I CB -0.241 37.739 38.000 -0.034 0.000 1.128 487 I HN 0.236 nan 8.210 nan 0.000 0.438 488 A N 0.937 123.701 122.820 -0.093 0.000 1.930 488 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 488 A C 2.375 179.878 177.584 -0.134 0.000 1.175 488 A CA 1.434 53.432 52.037 -0.064 0.000 0.627 488 A CB -0.464 18.553 19.000 0.027 0.000 0.815 488 A HN 0.293 nan 8.150 nan 0.000 0.443 489 K N -0.489 119.686 120.400 -0.375 0.000 2.044 489 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 489 K C 2.021 178.570 176.600 -0.085 0.000 1.049 489 K CA 1.980 58.035 56.287 -0.387 0.000 0.927 489 K CB -0.113 31.914 32.500 -0.789 0.000 0.713 489 K HN 0.392 nan 8.250 nan 0.000 0.443 490 E N 0.728 120.862 120.200 -0.111 0.000 2.046 490 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 490 E C 2.013 178.604 176.600 -0.015 0.000 0.982 490 E CA 0.995 57.368 56.400 -0.044 0.000 0.800 490 E CB -0.164 29.501 29.700 -0.059 0.000 0.756 490 E HN 0.282 nan 8.360 nan 0.000 0.449 491 L N -0.019 121.186 121.223 -0.029 0.000 2.012 491 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 491 L C 2.423 179.285 176.870 -0.013 0.000 1.073 491 L CA 0.935 55.764 54.840 -0.017 0.000 0.748 491 L CB -0.606 41.442 42.059 -0.018 0.000 0.891 491 L HN 0.244 nan 8.230 nan 0.000 0.431 492 L N 0.492 121.700 121.223 -0.025 0.000 1.990 492 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 492 L C 2.627 179.470 176.870 -0.046 0.000 1.072 492 L CA 1.996 56.797 54.840 -0.065 0.000 0.755 492 L CB -0.725 41.247 42.059 -0.144 0.000 0.889 492 L HN 0.211 nan 8.230 nan 0.000 0.432 493 K N -1.365 119.065 120.400 0.051 0.000 2.074 493 K HA -0.208 4.111 4.320 -0.000 0.000 0.209 493 K C 1.774 178.409 176.600 0.059 0.000 1.048 493 K CA 2.162 58.527 56.287 0.130 0.000 0.926 493 K CB -0.349 32.253 32.500 0.169 0.000 0.713 493 K HN 0.483 nan 8.250 nan 0.000 0.444 494 T N 1.413 115.985 114.554 0.029 0.000 2.803 494 T HA -0.096 4.253 4.350 -0.000 0.000 0.269 494 T C 1.401 176.116 174.700 0.024 0.000 1.052 494 T CA 1.398 63.509 62.100 0.018 0.000 1.136 494 T CB -0.103 68.769 68.868 0.007 0.000 0.864 494 T HN 0.349 nan 8.240 nan 0.000 0.467 495 E N 0.767 120.978 120.200 0.018 0.000 2.170 495 E HA 0.143 4.493 4.350 -0.000 0.000 0.191 495 E C 2.270 178.895 176.600 0.040 0.000 0.981 495 E CA 0.347 56.761 56.400 0.023 0.000 0.830 495 E CB -0.334 29.371 29.700 0.009 0.000 0.775 495 E HN 0.509 nan 8.360 nan 0.000 0.470 496 I N 1.895 122.487 120.570 0.035 0.000 2.179 496 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 496 I C 1.855 178.050 176.117 0.129 0.000 1.088 496 I CA 1.282 62.626 61.300 0.074 0.000 1.357 496 I CB -0.252 37.791 38.000 0.071 0.000 1.051 496 I HN -0.062 nan 8.210 nan 0.000 0.409 497 D N 1.266 121.722 120.400 0.093 0.000 2.084 497 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 497 D C 2.290 178.653 176.300 0.105 0.000 0.990 497 D CA 1.693 55.739 54.000 0.075 0.000 0.826 497 D CB -0.374 40.433 40.800 0.011 0.000 0.971 497 D HN 0.340 nan 8.370 nan 0.000 0.453 498 A N 0.704 123.569 122.820 0.076 0.000 2.032 498 A HA -0.192 4.127 4.320 -0.000 0.000 0.221 498 A C 1.533 179.176 177.584 0.098 0.000 1.165 498 A CA 1.693 53.773 52.037 0.072 0.000 0.645 498 A CB -0.171 18.858 19.000 0.050 0.000 0.807 498 A HN 0.123 nan 8.150 nan 0.000 0.453 499 D N -2.590 117.884 120.400 0.123 0.000 2.433 499 D HA 0.166 4.805 4.640 -0.000 0.000 0.211 499 D C -0.033 176.351 176.300 0.139 0.000 1.114 499 D CA -0.373 53.709 54.000 0.136 0.000 0.837 499 D CB 0.056 40.927 40.800 0.119 0.000 0.984 499 D HN 0.403 nan 8.370 nan 0.000 0.505 500 F N 3.604 123.553 119.950 -0.002 0.000 2.595 500 F HA 0.033 4.560 4.527 0.000 0.000 0.359 500 F C -0.877 174.828 175.800 -0.159 0.000 1.147 500 F CA -1.124 56.841 58.000 -0.058 0.000 1.341 500 F CB 0.879 39.860 39.000 -0.032 0.000 1.104 500 F HN -0.144 nan 8.300 nan 0.000 0.603 501 P HA -0.133 nan 4.420 nan 0.000 0.223 501 P C -0.508 176.292 177.300 -0.833 0.000 1.151 501 P CA 1.055 63.163 63.100 -1.652 0.000 0.787 501 P CB -0.333 30.696 31.700 -1.119 0.000 0.788 502 H N 2.515 121.418 119.070 -0.277 0.000 2.929 502 H HA 0.165 4.721 4.556 -0.000 0.000 0.317 502 H C -1.782 173.508 175.328 -0.063 0.000 1.031 502 H CA -1.677 54.290 56.048 -0.136 0.000 1.466 502 H CB -0.267 29.450 29.762 -0.075 0.000 1.482 502 H HN 0.269 nan 8.280 nan 0.000 0.561 503 P HA 0.066 nan 4.420 nan 0.000 0.276 503 P C -0.466 176.873 177.300 0.064 0.000 1.261 503 P CA -0.586 62.554 63.100 0.067 0.000 0.800 503 P CB 1.214 32.944 31.700 0.050 0.000 1.066 504 L N 1.594 122.847 121.223 0.050 0.000 2.283 504 L HA 0.331 4.671 4.340 -0.000 0.000 0.287 504 L C 1.074 177.963 176.870 0.032 0.000 1.073 504 L CA -0.329 54.533 54.840 0.037 0.000 0.822 504 L CB -0.071 42.004 42.059 0.026 0.000 1.186 504 L HN 0.212 nan 8.230 nan 0.000 0.436 505 R N 3.934 124.448 120.500 0.023 0.000 2.248 505 R HA 0.432 4.772 4.340 -0.000 0.000 0.337 505 R C -0.981 175.333 176.300 0.023 0.000 1.085 505 R CA -0.692 55.422 56.100 0.023 0.000 0.934 505 R CB 0.539 30.843 30.300 0.006 0.000 1.034 505 R HN 0.313 nan 8.270 nan 0.000 0.465 506 L N 3.487 124.756 121.223 0.077 0.000 2.334 506 L HA 0.387 4.727 4.340 -0.000 0.000 0.276 506 L C 1.259 178.217 176.870 0.146 0.000 1.014 506 L CA -0.352 54.554 54.840 0.110 0.000 0.815 506 L CB 1.662 43.855 42.059 0.224 0.000 1.268 506 L HN 0.588 nan 8.230 nan 0.000 0.428 507 R N 2.447 122.863 120.500 -0.140 0.000 2.344 507 R HA 0.414 4.754 4.340 -0.000 0.000 0.209 507 R C -0.231 175.415 176.300 -1.090 0.000 0.886 507 R CA -0.083 55.755 56.100 -0.436 0.000 1.040 507 R CB 0.701 30.767 30.300 -0.389 0.000 1.114 507 R HN 0.347 nan 8.270 nan 0.000 0.547 508 L N 1.252 122.046 121.223 -0.715 0.000 2.445 508 L HA 0.615 4.955 4.340 -0.000 0.000 0.262 508 L C -1.911 174.843 176.870 -0.192 0.000 0.974 508 L CA -0.940 53.540 54.840 -0.599 0.000 0.822 508 L CB 2.338 44.221 42.059 -0.292 0.000 1.339 508 L HN 0.324 nan 8.230 nan 0.000 0.409 509 M N 2.845 122.429 119.600 -0.026 0.000 2.520 509 M HA 0.765 5.244 4.480 -0.000 0.000 0.283 509 M C -1.287 175.065 176.300 0.088 0.000 1.237 509 M CA -0.259 55.105 55.300 0.105 0.000 0.885 509 M CB 2.693 35.437 32.600 0.240 0.000 1.727 509 M HN 0.769 nan 8.290 nan 0.000 0.468 510 G N 1.417 110.260 108.800 0.072 0.000 2.673 510 G HA2 0.629 4.589 3.960 -0.000 0.000 0.292 510 G HA3 0.629 4.589 3.960 -0.000 0.000 0.292 510 G C -2.431 172.505 174.900 0.061 0.000 1.450 510 G CA -0.505 44.634 45.100 0.066 0.000 0.837 510 G HN 0.661 nan 8.290 nan 0.000 0.505 511 V N 0.832 120.784 119.914 0.064 0.000 2.623 511 V HA 0.688 4.808 4.120 -0.000 0.000 0.304 511 V C -0.228 175.899 176.094 0.055 0.000 1.054 511 V CA -0.811 61.525 62.300 0.061 0.000 0.882 511 V CB 1.874 33.746 31.823 0.081 0.000 1.002 511 V HN 0.838 nan 8.190 nan 0.000 0.424 512 R N 4.877 125.402 120.500 0.041 0.000 2.451 512 R HA 0.626 4.966 4.340 -0.000 0.000 0.307 512 R C -1.304 175.007 176.300 0.019 0.000 0.965 512 R CA -0.530 55.592 56.100 0.038 0.000 0.865 512 R CB 1.626 31.941 30.300 0.025 0.000 1.174 512 R HN 0.776 nan 8.270 nan 0.000 0.455 513 I N 3.586 124.179 120.570 0.040 0.000 2.499 513 I HA 0.388 4.558 4.170 -0.000 0.000 0.296 513 I C -0.588 175.442 176.117 -0.144 0.000 0.992 513 I CA 0.154 61.445 61.300 -0.015 0.000 1.297 513 I CB 1.336 39.385 38.000 0.082 0.000 1.410 513 I HN 0.963 nan 8.210 nan 0.000 0.507 514 S N 2.637 118.072 115.700 -0.440 0.000 2.757 514 S HA 0.396 4.866 4.470 -0.000 0.000 0.285 514 S C -0.314 173.745 174.600 -0.901 0.000 1.196 514 S CA -0.183 57.572 58.200 -0.742 0.000 0.856 514 S CB 0.934 63.960 63.200 -0.289 0.000 1.212 514 S HN 1.336 nan 8.310 nan 0.000 0.516 515 S N -0.450 114.880 115.700 -0.618 0.000 3.436 515 S HA -0.168 4.302 4.470 -0.000 0.000 0.393 515 S C -0.294 174.104 174.600 -0.338 0.000 0.914 515 S CA 0.280 58.273 58.200 -0.344 0.000 1.317 515 S CB -2.752 60.330 63.200 -0.197 0.000 0.920 515 S HN 0.833 nan 8.310 nan 0.000 0.564 516 F N 1.742 121.692 119.950 -0.000 0.000 2.371 516 F HA 0.489 5.015 4.527 -0.000 0.000 0.329 516 F C 0.302 176.102 175.800 -0.001 0.000 1.107 516 F CA -1.844 56.157 58.000 0.001 0.000 1.137 516 F CB -0.046 38.955 39.000 0.001 0.000 1.214 516 F HN 0.135 nan 8.300 nan 0.000 0.536 517 P HA -0.242 nan 4.420 nan 0.000 0.213 517 P C -0.401 176.944 177.300 0.076 0.000 1.176 517 P CA 1.573 64.730 63.100 0.094 0.000 0.919 517 P CB -0.030 31.716 31.700 0.077 0.000 0.791 518 N N 0.000 118.746 118.700 0.077 0.000 1.763 518 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 518 N CA 0.000 53.083 53.050 0.055 0.000 0.885 518 N CB 0.000 38.523 38.487 0.060 0.000 1.341 518 N HN 0.000 nan 8.380 nan 0.000 0.667