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 3ncy_1_D DATA FIRST_RESID 10 DATA SEQUENCE VGLIPVTLMV SGNIMGSGVF LLPANLAATG GIAIYGWLVT IIGALALSMV DATA SEQUENCE YAKMSSLDPS PGGSYAYARR CFGPFLGYQT NVLYWLACWI GNIAMVVIGV DATA SEQUENCE GYLSYFFPIL KDPLVLTLTC VAVLWIFVLL NIVGPKMITR VQAVATVLAL DATA SEQUENCE VPIVGIAVFG WFWFKXXXXX XXWNVSGMNT FGAIQSTLNV TLWSFIGVES DATA SEQUENCE ASVAAGVVKN PKRNVPIATI GGVLIAAVCY VLSTTAIMGM IPNAALRVSA DATA SEQUENCE SPFGDAARMA LGDTAGAIVS FCAAAGCLGS LGGWTLLAGQ TAKAAADDGL DATA SEQUENCE FPPIFARXXX XGTPVAGLLI VGVLMTIFQF SSMSPNAAKE FGLVSSVSVI DATA SEQUENCE FTLVPYLYTC AALLLLGHGH FGKARPLYLL ITFVAFVYCI WAVIGSGAKE DATA SEQUENCE VMWSFVTLMV ITALYALNYN RIHKNPYPLD 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.098 176.094 0.007 0.000 1.182 10 V CA 0.000 62.303 62.300 0.004 0.000 1.235 10 V CB 0.000 31.827 31.823 0.007 0.000 1.184 11 G N 3.822 112.626 108.800 0.007 0.000 2.542 11 G HA2 0.207 4.167 3.960 0.000 0.000 0.211 11 G HA3 0.207 4.167 3.960 0.000 0.000 0.211 11 G C 0.707 175.609 174.900 0.003 0.000 1.702 11 G CA 0.695 45.798 45.100 0.005 0.000 0.935 11 G HN 0.999 nan 8.290 nan 0.000 0.509 12 L N -0.966 120.259 121.223 0.004 0.000 2.296 12 L HA 0.308 4.648 4.340 0.000 0.000 0.193 12 L C 2.705 179.576 176.870 0.002 0.000 1.123 12 L CA 0.304 55.145 54.840 0.003 0.000 0.805 12 L CB -0.286 41.776 42.059 0.004 0.000 1.004 12 L HN 0.188 nan 8.230 nan 0.000 0.478 13 I N 0.980 121.553 120.570 0.005 0.000 2.145 13 I HA -0.239 3.931 4.170 0.000 0.000 0.244 13 I C -0.706 175.414 176.117 0.005 0.000 1.075 13 I CA 2.099 63.403 61.300 0.006 0.000 1.332 13 I CB -1.545 36.459 38.000 0.008 0.000 1.033 13 I HN 0.263 nan 8.210 nan 0.000 0.410 14 P HA -0.096 nan 4.420 nan 0.000 0.217 14 P C 2.088 179.388 177.300 -0.001 0.000 1.150 14 P CA 1.124 64.228 63.100 0.006 0.000 0.832 14 P CB 0.054 31.759 31.700 0.009 0.000 0.787 15 V N -0.716 119.194 119.914 -0.006 0.000 2.407 15 V HA -0.169 3.951 4.120 0.000 0.000 0.245 15 V C 2.241 178.324 176.094 -0.018 0.000 1.041 15 V CA 2.281 64.571 62.300 -0.017 0.000 1.040 15 V CB -1.745 30.067 31.823 -0.018 0.000 0.671 15 V HN 0.162 nan 8.190 nan 0.000 0.455 16 T N 0.750 115.299 114.554 -0.009 0.000 2.759 16 T HA -0.133 4.217 4.350 0.000 0.000 0.269 16 T C 1.798 176.494 174.700 -0.006 0.000 1.042 16 T CA 1.435 63.531 62.100 -0.007 0.000 1.140 16 T CB -0.258 68.609 68.868 -0.001 0.000 0.864 16 T HN 0.313 nan 8.240 nan 0.000 0.455 17 L N 0.188 121.409 121.223 -0.002 0.000 2.313 17 L HA 0.154 4.494 4.340 0.000 0.000 0.214 17 L C 2.559 179.428 176.870 -0.002 0.000 1.119 17 L CA 0.600 55.441 54.840 0.002 0.000 0.809 17 L CB -0.481 41.583 42.059 0.009 0.000 0.933 17 L HN 0.297 nan 8.230 nan 0.000 0.449 18 M N -0.297 119.294 119.600 -0.015 0.000 2.200 18 M HA -0.142 4.338 4.480 0.000 0.000 0.265 18 M C 2.151 178.423 176.300 -0.048 0.000 1.066 18 M CA 1.490 56.770 55.300 -0.034 0.000 1.127 18 M CB 0.112 32.680 32.600 -0.053 0.000 1.379 18 M HN 0.048 nan 8.290 nan 0.000 0.420 19 V N 0.843 120.732 119.914 -0.042 0.000 2.233 19 V HA -0.291 3.829 4.120 0.000 0.000 0.247 19 V C 2.604 178.701 176.094 0.004 0.000 1.050 19 V CA 2.278 64.556 62.300 -0.036 0.000 1.010 19 V CB -1.349 30.459 31.823 -0.025 0.000 0.637 19 V HN 0.719 nan 8.190 nan 0.000 0.444 20 S N 1.054 116.759 115.700 0.008 0.000 2.370 20 S HA -0.157 4.313 4.470 0.000 0.000 0.226 20 S C 2.112 176.731 174.600 0.033 0.000 1.033 20 S CA 1.581 59.789 58.200 0.013 0.000 1.011 20 S CB -1.248 61.951 63.200 -0.002 0.000 0.852 20 S HN 0.593 nan 8.310 nan 0.000 0.457 21 G N 2.406 111.225 108.800 0.033 0.000 2.421 21 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 21 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 21 G C 1.416 176.382 174.900 0.109 0.000 1.171 21 G CA 0.938 46.069 45.100 0.052 0.000 0.775 21 G HN 0.560 nan 8.290 nan 0.000 0.543 22 N N 0.372 119.141 118.700 0.115 0.000 2.364 22 N HA 0.007 4.747 4.740 0.000 0.000 0.183 22 N C 2.041 177.806 175.510 0.424 0.000 1.022 22 N CA 0.556 53.790 53.050 0.306 0.000 0.883 22 N CB -0.066 38.384 38.487 -0.062 0.000 0.965 22 N HN 0.427 nan 8.380 nan 0.000 0.438 23 I N -0.505 120.204 120.570 0.231 0.000 2.494 23 I HA 0.014 4.184 4.170 0.000 0.000 0.250 23 I C 0.690 176.907 176.117 0.167 0.000 1.112 23 I CA 0.617 62.040 61.300 0.206 0.000 1.438 23 I CB -0.026 38.047 38.000 0.121 0.000 1.111 23 I HN -0.011 nan 8.210 nan 0.000 0.431 24 M N 1.446 121.127 119.600 0.135 0.000 3.533 24 M HA 0.212 4.692 4.480 0.000 0.000 0.217 24 M C 1.192 177.558 176.300 0.110 0.000 1.269 24 M CA -0.131 55.263 55.300 0.157 0.000 1.435 24 M CB 0.025 32.709 32.600 0.139 0.000 1.105 24 M HN 0.143 nan 8.290 nan 0.000 0.555 25 G N -0.216 108.640 108.800 0.094 0.000 2.956 25 G HA2 -0.017 3.943 3.960 0.000 0.000 0.207 25 G HA3 -0.017 3.943 3.960 0.000 0.000 0.207 25 G C 0.838 175.735 174.900 -0.005 0.000 1.162 25 G CA 0.299 45.413 45.100 0.023 0.000 0.796 25 G HN 0.532 nan 8.290 nan 0.000 0.527 26 S N -1.358 114.375 115.700 0.055 0.000 2.952 26 S HA 0.208 4.678 4.470 0.000 0.000 0.238 26 S C 1.657 176.329 174.600 0.121 0.000 0.780 26 S CA 0.530 58.787 58.200 0.095 0.000 1.150 26 S CB -0.561 62.715 63.200 0.126 0.000 1.320 26 S HN 0.332 nan 8.310 nan 0.000 0.540 27 G N 0.961 109.828 108.800 0.111 0.000 2.708 27 G HA2 0.088 4.048 3.960 0.000 0.000 0.210 27 G HA3 0.088 4.048 3.960 0.000 0.000 0.210 27 G C 1.124 176.066 174.900 0.070 0.000 1.141 27 G CA 1.103 46.257 45.100 0.090 0.000 0.788 27 G HN 0.872 nan 8.290 nan 0.000 0.531 28 V N -3.226 116.775 119.914 0.145 0.000 3.048 28 V HA 0.362 4.482 4.120 0.000 0.000 0.241 28 V C 2.081 178.332 176.094 0.261 0.000 1.129 28 V CA 0.489 62.920 62.300 0.219 0.000 1.128 28 V CB -0.639 31.369 31.823 0.308 0.000 0.849 28 V HN 0.136 nan 8.190 nan 0.000 0.475 29 F N 0.949 120.987 119.950 0.146 0.000 2.811 29 F HA 0.299 4.826 4.527 0.000 0.000 0.301 29 F C 1.555 177.373 175.800 0.030 0.000 1.151 29 F CA 0.413 58.494 58.000 0.134 0.000 1.412 29 F CB 0.090 39.196 39.000 0.176 0.000 1.113 29 F HN 0.166 nan 8.300 nan 0.000 0.579 30 L N 0.897 122.009 121.223 -0.186 0.000 1.961 30 L HA -0.178 4.162 4.340 0.000 0.000 0.210 30 L C 2.123 178.774 176.870 -0.365 0.000 1.072 30 L CA 2.277 56.932 54.840 -0.308 0.000 0.749 30 L CB -1.125 40.774 42.059 -0.266 0.000 0.889 30 L HN 0.270 nan 8.230 nan 0.000 0.432 31 L N -0.929 120.114 121.223 -0.301 0.000 2.054 31 L HA -0.240 4.100 4.340 0.000 0.000 0.220 31 L C -0.333 176.369 176.870 -0.279 0.000 1.081 31 L CA 2.040 56.712 54.840 -0.281 0.000 0.780 31 L CB -3.023 38.795 42.059 -0.401 0.000 0.893 31 L HN 0.254 nan 8.230 nan 0.000 0.438 32 P HA -0.144 nan 4.420 nan 0.000 0.214 32 P C 1.682 178.803 177.300 -0.298 0.000 1.162 32 P CA 1.993 64.939 63.100 -0.257 0.000 0.879 32 P CB -0.117 31.452 31.700 -0.219 0.000 0.786 33 A N -0.665 121.849 122.820 -0.510 0.000 2.076 33 A HA -0.240 4.080 4.320 0.000 0.000 0.220 33 A C 2.241 179.678 177.584 -0.245 0.000 1.160 33 A CA 1.814 53.620 52.037 -0.385 0.000 0.653 33 A CB -1.460 17.228 19.000 -0.520 0.000 0.801 33 A HN 0.169 nan 8.150 nan 0.000 0.455 34 N N 0.862 119.414 118.700 -0.246 0.000 2.131 34 N HA -0.105 4.635 4.740 0.000 0.000 0.190 34 N C 1.568 176.990 175.510 -0.145 0.000 1.055 34 N CA 1.776 54.714 53.050 -0.187 0.000 0.853 34 N CB -0.458 37.935 38.487 -0.157 0.000 1.035 34 N HN 0.423 nan 8.380 nan 0.000 0.440 35 L N 0.189 121.340 121.223 -0.121 0.000 2.721 35 L HA 0.273 4.613 4.340 0.000 0.000 0.241 35 L C 1.761 178.584 176.870 -0.078 0.000 1.168 35 L CA 0.888 55.676 54.840 -0.085 0.000 0.866 35 L CB -2.441 39.578 42.059 -0.066 0.000 0.996 35 L HN 0.144 nan 8.230 nan 0.000 0.451 36 A N 0.058 122.824 122.820 -0.091 0.000 2.076 36 A HA 0.094 4.414 4.320 0.000 0.000 0.220 36 A C 2.437 179.982 177.584 -0.065 0.000 1.160 36 A CA 1.681 53.674 52.037 -0.072 0.000 0.653 36 A CB -0.414 18.541 19.000 -0.076 0.000 0.801 36 A HN 0.626 nan 8.150 nan 0.000 0.455 37 A N -2.684 120.090 122.820 -0.076 0.000 1.920 37 A HA 0.457 4.777 4.320 0.000 0.000 0.209 37 A C 1.043 178.591 177.584 -0.059 0.000 1.229 37 A CA 1.606 53.600 52.037 -0.071 0.000 0.671 37 A CB 0.095 19.042 19.000 -0.088 0.000 0.886 37 A HN 0.744 nan 8.150 nan 0.000 0.461 38 T N -4.074 110.444 114.554 -0.061 0.000 2.927 38 T HA 0.462 4.813 4.350 0.000 0.000 0.350 38 T C 0.372 175.051 174.700 -0.034 0.000 1.746 38 T CA 0.409 62.484 62.100 -0.042 0.000 1.081 38 T CB 0.828 69.674 68.868 -0.037 0.000 1.551 38 T HN 0.563 nan 8.240 nan 0.000 0.489 39 G N 0.861 109.653 108.800 -0.013 0.000 2.853 39 G HA2 0.377 4.337 3.960 0.000 0.000 0.202 39 G HA3 0.377 4.337 3.960 0.000 0.000 0.202 39 G C 1.467 176.392 174.900 0.042 0.000 1.118 39 G CA 0.961 46.065 45.100 0.007 0.000 0.831 39 G HN 1.064 nan 8.290 nan 0.000 0.613 40 G N 1.020 109.841 108.800 0.035 0.000 2.414 40 G HA2 -0.042 3.918 3.960 0.000 0.000 0.215 40 G HA3 -0.042 3.918 3.960 0.000 0.000 0.215 40 G C 1.007 175.951 174.900 0.073 0.000 1.188 40 G CA 0.414 45.546 45.100 0.054 0.000 0.783 40 G HN 0.375 nan 8.290 nan 0.000 0.537 41 I N 1.517 122.114 120.570 0.044 0.000 3.282 41 I HA 0.380 4.550 4.170 0.000 0.000 0.335 41 I C 1.248 177.403 176.117 0.063 0.000 1.325 41 I CA -0.181 61.151 61.300 0.052 0.000 1.156 41 I CB 0.774 38.759 38.000 -0.025 0.000 1.644 41 I HN 0.235 nan 8.210 nan 0.000 0.493 42 A N 1.367 124.238 122.820 0.085 0.000 2.226 42 A HA 0.320 4.640 4.320 0.000 0.000 0.207 42 A C 1.725 179.378 177.584 0.114 0.000 1.293 42 A CA 0.016 52.070 52.037 0.029 0.000 0.968 42 A CB 0.092 19.066 19.000 -0.044 0.000 1.044 42 A HN 0.445 nan 8.150 nan 0.000 0.493 43 I N -1.232 119.499 120.570 0.268 0.000 2.756 43 I HA -0.172 3.998 4.170 0.000 0.000 0.262 43 I C 2.051 178.360 176.117 0.320 0.000 1.225 43 I CA 1.198 62.746 61.300 0.412 0.000 1.472 43 I CB -0.269 37.912 38.000 0.302 0.000 1.094 43 I HN 0.479 nan 8.210 nan 0.000 0.454 44 Y N 1.382 121.758 120.300 0.127 0.000 2.544 44 Y HA 0.092 4.642 4.550 0.000 0.000 0.286 44 Y C 2.170 178.117 175.900 0.077 0.000 1.141 44 Y CA 0.778 58.934 58.100 0.093 0.000 1.299 44 Y CB 0.178 38.672 38.460 0.056 0.000 1.030 44 Y HN 0.065 nan 8.280 nan 0.000 0.543 45 G N -2.161 106.721 108.800 0.137 0.000 2.921 45 G HA2 -0.115 3.845 3.960 0.000 0.000 0.213 45 G HA3 -0.115 3.845 3.960 0.000 0.000 0.213 45 G C 1.026 175.920 174.900 -0.010 0.000 1.143 45 G CA -0.207 44.901 45.100 0.012 0.000 0.764 45 G HN 0.508 nan 8.290 nan 0.000 0.542 46 W N 1.047 122.386 121.300 0.064 0.000 2.388 46 W HA 0.073 4.733 4.660 0.000 0.000 0.294 46 W C 2.344 178.911 176.519 0.080 0.000 1.212 46 W CA 0.165 57.569 57.345 0.098 0.000 1.271 46 W CB -0.040 29.488 29.460 0.114 0.000 1.126 46 W HN 0.075 nan 8.180 nan 0.000 0.535 47 L N -0.679 120.695 121.223 0.251 0.000 1.971 47 L HA -0.316 4.025 4.340 0.000 0.000 0.215 47 L C 2.232 179.176 176.870 0.123 0.000 1.072 47 L CA 1.350 56.266 54.840 0.127 0.000 0.758 47 L CB -1.551 40.504 42.059 -0.007 0.000 0.889 47 L HN -0.152 nan 8.230 nan 0.000 0.433 48 V N -0.888 119.086 119.914 0.100 0.000 2.332 48 V HA -0.341 3.779 4.120 0.000 0.000 0.248 48 V C 2.532 178.742 176.094 0.193 0.000 1.055 48 V CA 2.493 64.877 62.300 0.140 0.000 1.038 48 V CB -0.591 31.318 31.823 0.144 0.000 0.651 48 V HN 0.505 nan 8.190 nan 0.000 0.450 49 T N -1.625 113.044 114.554 0.192 0.000 3.067 49 T HA 0.096 4.446 4.350 0.000 0.000 0.261 49 T C 1.617 176.515 174.700 0.329 0.000 1.110 49 T CA 0.688 62.945 62.100 0.260 0.000 1.113 49 T CB -0.081 68.897 68.868 0.183 0.000 0.917 49 T HN 0.375 nan 8.240 nan 0.000 0.499 50 I N -0.274 120.453 120.570 0.261 0.000 2.867 50 I HA 0.142 4.312 4.170 0.000 0.000 0.265 50 I C 1.729 177.822 176.117 -0.040 0.000 1.162 50 I CA 0.453 61.806 61.300 0.088 0.000 1.471 50 I CB 0.178 38.287 38.000 0.183 0.000 1.123 50 I HN 0.230 nan 8.210 nan 0.000 0.440 51 I N 0.365 120.959 120.570 0.040 0.000 2.163 51 I HA -0.175 3.995 4.170 0.000 0.000 0.240 51 I C 2.562 178.664 176.117 -0.024 0.000 1.081 51 I CA 1.551 62.855 61.300 0.008 0.000 1.353 51 I CB -0.937 37.091 38.000 0.047 0.000 1.054 51 I HN 0.234 nan 8.210 nan 0.000 0.407 52 G N 0.516 109.359 108.800 0.071 0.000 2.442 52 G HA2 -0.230 3.730 3.960 0.000 0.000 0.219 52 G HA3 -0.230 3.730 3.960 0.000 0.000 0.219 52 G C 1.835 176.434 174.900 -0.501 0.000 1.141 52 G CA 0.867 45.994 45.100 0.044 0.000 0.763 52 G HN 0.493 nan 8.290 nan 0.000 0.554 53 A N 0.226 122.756 122.820 -0.484 0.000 1.930 53 A HA 0.136 4.456 4.320 0.000 0.000 0.217 53 A C 2.308 179.588 177.584 -0.507 0.000 1.175 53 A CA 1.384 52.974 52.037 -0.744 0.000 0.627 53 A CB -0.378 18.099 19.000 -0.871 0.000 0.815 53 A HN 0.345 nan 8.150 nan 0.000 0.443 54 L N -0.372 120.642 121.223 -0.349 0.000 2.131 54 L HA -0.056 4.284 4.340 0.000 0.000 0.210 54 L C 2.729 179.510 176.870 -0.148 0.000 1.092 54 L CA 1.685 56.397 54.840 -0.214 0.000 0.759 54 L CB -0.584 41.392 42.059 -0.140 0.000 0.903 54 L HN 0.374 nan 8.230 nan 0.000 0.435 55 A N -0.912 121.811 122.820 -0.162 0.000 1.902 55 A HA -0.183 4.137 4.320 0.000 0.000 0.217 55 A C 2.295 179.817 177.584 -0.103 0.000 1.181 55 A CA 1.788 53.765 52.037 -0.100 0.000 0.623 55 A CB -0.770 18.181 19.000 -0.082 0.000 0.818 55 A HN 0.420 nan 8.150 nan 0.000 0.443 56 L N 0.433 121.540 121.223 -0.194 0.000 2.046 56 L HA -0.205 4.135 4.340 0.000 0.000 0.208 56 L C 3.091 180.004 176.870 0.071 0.000 1.077 56 L CA 1.708 56.509 54.840 -0.065 0.000 0.747 56 L CB -0.366 41.603 42.059 -0.149 0.000 0.896 56 L HN 0.651 nan 8.230 nan 0.000 0.432 57 S N -0.837 114.855 115.700 -0.013 0.000 2.382 57 S HA -0.217 4.253 4.470 0.000 0.000 0.228 57 S C 1.981 176.611 174.600 0.048 0.000 1.027 57 S CA 1.036 59.254 58.200 0.029 0.000 0.991 57 S CB -0.271 62.910 63.200 -0.032 0.000 0.823 57 S HN 0.237 nan 8.310 nan 0.000 0.469 58 M N 1.493 121.105 119.600 0.020 0.000 2.059 58 M HA -0.012 4.468 4.480 0.000 0.000 0.259 58 M C 2.428 178.736 176.300 0.014 0.000 1.072 58 M CA 1.181 56.504 55.300 0.038 0.000 1.117 58 M CB -1.765 30.870 32.600 0.057 0.000 1.320 58 M HN 0.271 nan 8.290 nan 0.000 0.408 59 V N -0.297 119.610 119.914 -0.012 0.000 2.231 59 V HA -0.325 3.795 4.120 0.000 0.000 0.250 59 V C 2.303 178.310 176.094 -0.144 0.000 1.058 59 V CA 2.150 64.387 62.300 -0.104 0.000 1.022 59 V CB -1.097 30.641 31.823 -0.142 0.000 0.640 59 V HN 0.294 nan 8.190 nan 0.000 0.445 60 Y N 0.283 120.543 120.300 -0.067 0.000 2.256 60 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 60 Y C 2.441 178.303 175.900 -0.064 0.000 1.155 60 Y CA 1.464 59.534 58.100 -0.050 0.000 1.203 60 Y CB -0.692 37.766 38.460 -0.004 0.000 0.980 60 Y HN 0.214 nan 8.280 nan 0.000 0.530 61 A N -0.297 122.576 122.820 0.088 0.000 1.898 61 A HA -0.209 4.112 4.320 0.000 0.000 0.216 61 A C 2.121 179.686 177.584 -0.032 0.000 1.181 61 A CA 1.982 54.041 52.037 0.036 0.000 0.620 61 A CB -0.455 18.567 19.000 0.038 0.000 0.819 61 A HN 0.318 nan 8.150 nan 0.000 0.442 62 K N -0.855 119.489 120.400 -0.094 0.000 2.076 62 K HA 0.014 4.334 4.320 0.000 0.000 0.204 62 K C 1.825 178.274 176.600 -0.250 0.000 1.051 62 K CA 1.692 57.876 56.287 -0.171 0.000 0.949 62 K CB -0.388 31.930 32.500 -0.303 0.000 0.726 62 K HN 0.270 nan 8.250 nan 0.000 0.443 63 M N 0.697 120.093 119.600 -0.341 0.000 2.460 63 M HA -0.046 4.434 4.480 0.000 0.000 0.263 63 M C 1.504 177.443 176.300 -0.603 0.000 1.071 63 M CA 1.602 56.560 55.300 -0.570 0.000 1.096 63 M CB -0.258 31.865 32.600 -0.795 0.000 1.408 63 M HN 0.292 nan 8.290 nan 0.000 0.463 64 S N -1.681 113.851 115.700 -0.279 0.000 2.458 64 S HA -0.013 4.457 4.470 0.000 0.000 0.223 64 S C 1.905 176.472 174.600 -0.055 0.000 1.019 64 S CA 0.665 58.830 58.200 -0.057 0.000 0.937 64 S CB -0.923 62.338 63.200 0.102 0.000 0.788 64 S HN 0.614 nan 8.310 nan 0.000 0.511 65 S N 1.553 117.203 115.700 -0.083 0.000 2.453 65 S HA 0.119 4.589 4.470 0.000 0.000 0.231 65 S C 1.612 176.162 174.600 -0.083 0.000 1.005 65 S CA 0.432 58.599 58.200 -0.056 0.000 0.949 65 S CB -0.558 62.620 63.200 -0.037 0.000 0.774 65 S HN 0.329 nan 8.310 nan 0.000 0.510 66 L N 1.431 122.556 121.223 -0.164 0.000 2.209 66 L HA 0.375 4.715 4.340 0.000 0.000 0.207 66 L C 0.205 176.968 176.870 -0.179 0.000 1.094 66 L CA 1.160 55.868 54.840 -0.219 0.000 0.790 66 L CB -0.534 41.287 42.059 -0.397 0.000 0.932 66 L HN 0.405 nan 8.230 nan 0.000 0.447 67 D N -1.556 118.758 120.400 -0.143 0.000 2.351 67 D HA 0.203 4.843 4.640 0.000 0.000 0.235 67 D C -2.513 173.837 176.300 0.083 0.000 1.331 67 D CA -1.274 52.700 54.000 -0.044 0.000 0.959 67 D CB 1.182 41.947 40.800 -0.057 0.000 1.432 67 D HN -0.175 nan 8.370 nan 0.000 0.544 68 P HA 0.109 nan 4.420 nan 0.000 0.254 68 P C -0.207 177.132 177.300 0.065 0.000 1.631 68 P CA -0.124 63.024 63.100 0.081 0.000 0.861 68 P CB -0.468 31.255 31.700 0.037 0.000 1.663 69 S N 0.444 116.194 115.700 0.082 0.000 2.559 69 S HA 0.146 4.616 4.470 0.000 0.000 0.282 69 S C -2.125 172.459 174.600 -0.027 0.000 1.336 69 S CA -0.748 57.462 58.200 0.017 0.000 1.037 69 S CB -0.526 62.672 63.200 -0.002 0.000 0.853 69 S HN 0.138 nan 8.310 nan 0.000 0.523 70 P HA 0.479 nan 4.420 nan 0.000 0.193 70 P C -0.201 177.102 177.300 0.006 0.000 1.874 70 P CA -0.189 62.901 63.100 -0.017 0.000 1.140 70 P CB 0.345 32.047 31.700 0.003 0.000 1.784 71 G N -0.201 108.610 108.800 0.018 0.000 3.239 71 G HA2 0.265 4.225 3.960 0.000 0.000 0.666 71 G HA3 0.265 4.225 3.960 0.000 0.000 0.666 71 G C -0.150 174.628 174.900 -0.204 0.000 1.313 71 G CA -0.434 44.606 45.100 -0.100 0.000 1.001 71 G HN 0.458 nan 8.290 nan 0.000 0.573 72 G N 0.171 108.768 108.800 -0.340 0.000 3.329 72 G HA2 0.771 4.731 3.960 0.000 0.000 0.180 72 G HA3 0.771 4.731 3.960 0.000 0.000 0.180 72 G C 1.345 175.762 174.900 -0.805 0.000 1.640 72 G CA 1.499 46.338 45.100 -0.435 0.000 1.018 72 G HN 2.325 nan 8.290 nan 0.000 0.581 73 S N -1.938 113.358 115.700 -0.675 0.000 4.159 73 S HA -0.432 4.039 4.470 0.000 0.000 0.536 73 S C 1.677 176.125 174.600 -0.254 0.000 1.861 73 S CA 2.215 60.260 58.200 -0.257 0.000 4.246 73 S CB -1.985 61.043 63.200 -0.288 0.000 0.268 73 S HN 1.438 nan 8.310 nan 0.000 0.454 74 Y N 3.096 123.201 120.300 -0.326 0.000 2.069 74 Y HA -0.112 4.438 4.550 0.000 0.000 0.278 74 Y C 2.458 178.239 175.900 -0.199 0.000 1.175 74 Y CA 3.241 61.207 58.100 -0.224 0.000 1.134 74 Y CB -1.225 37.100 38.460 -0.224 0.000 0.965 74 Y HN 0.537 nan 8.280 nan 0.000 0.498 75 A N -0.105 122.372 122.820 -0.573 0.000 1.845 75 A HA -0.188 4.132 4.320 0.000 0.000 0.215 75 A C 2.186 179.575 177.584 -0.325 0.000 1.195 75 A CA 1.751 53.446 52.037 -0.569 0.000 0.616 75 A CB -1.703 17.084 19.000 -0.355 0.000 0.832 75 A HN 0.731 nan 8.150 nan 0.000 0.443 76 Y N -0.166 119.996 120.300 -0.229 0.000 2.102 76 Y HA -0.294 4.256 4.550 0.000 0.000 0.280 76 Y C 2.976 178.742 175.900 -0.222 0.000 1.178 76 Y CA 0.630 58.598 58.100 -0.220 0.000 1.146 76 Y CB -0.464 37.871 38.460 -0.209 0.000 0.968 76 Y HN 0.379 nan 8.280 nan 0.000 0.504 77 A N 0.327 123.125 122.820 -0.037 0.000 1.930 77 A HA -0.206 4.114 4.320 0.000 0.000 0.217 77 A C 2.204 179.715 177.584 -0.122 0.000 1.175 77 A CA 1.634 53.661 52.037 -0.017 0.000 0.627 77 A CB -0.711 18.330 19.000 0.068 0.000 0.815 77 A HN 0.463 nan 8.150 nan 0.000 0.443 78 R N 0.402 120.739 120.500 -0.271 0.000 2.062 78 R HA -0.153 4.187 4.340 0.000 0.000 0.231 78 R C 2.258 178.438 176.300 -0.200 0.000 1.136 78 R CA 1.683 57.613 56.100 -0.283 0.000 0.948 78 R CB -0.325 29.678 30.300 -0.496 0.000 0.845 78 R HN 0.617 nan 8.270 nan 0.000 0.430 79 R N -0.584 119.795 120.500 -0.202 0.000 2.357 79 R HA -0.031 4.310 4.340 0.000 0.000 0.202 79 R C 1.870 178.033 176.300 -0.229 0.000 1.047 79 R CA 0.899 56.892 56.100 -0.179 0.000 1.034 79 R CB -0.572 29.637 30.300 -0.151 0.000 0.875 79 R HN 0.227 nan 8.270 nan 0.000 0.473 80 C N -0.691 118.438 119.300 -0.286 0.000 2.598 80 C HA 0.320 4.780 4.460 0.000 0.000 0.291 80 C C 1.460 176.088 174.990 -0.604 0.000 1.437 80 C CA -0.204 58.505 59.018 -0.515 0.000 1.864 80 C CB -0.271 27.069 27.740 -0.666 0.000 2.068 80 C HN 0.560 nan 8.230 nan 0.000 0.618 81 F N 1.001 120.851 119.950 -0.167 0.000 2.704 81 F HA 0.462 4.989 4.527 0.000 0.000 0.304 81 F C 1.372 177.109 175.800 -0.104 0.000 1.094 81 F CA 0.848 58.757 58.000 -0.150 0.000 1.275 81 F CB 0.214 39.069 39.000 -0.242 0.000 1.073 81 F HN 0.603 nan 8.300 nan 0.000 0.586 82 G N 0.862 109.668 108.800 0.011 0.000 2.337 82 G HA2 -0.140 3.820 3.960 0.000 0.000 0.197 82 G HA3 -0.140 3.820 3.960 0.000 0.000 0.197 82 G C -2.376 172.516 174.900 -0.013 0.000 1.238 82 G CA -0.255 44.842 45.100 -0.005 0.000 1.119 82 G HN -0.139 nan 8.290 nan 0.000 0.514 83 P HA 0.160 nan 4.420 nan 0.000 0.216 83 P C 1.860 179.175 177.300 0.026 0.000 1.151 83 P CA 1.477 64.610 63.100 0.056 0.000 0.863 83 P CB -0.001 31.761 31.700 0.104 0.000 0.790 84 F N 1.491 121.326 119.950 -0.191 0.000 2.126 84 F HA -0.134 4.393 4.527 0.000 0.000 0.299 84 F C 1.834 177.500 175.800 -0.225 0.000 1.096 84 F CA 1.585 59.280 58.000 -0.509 0.000 1.255 84 F CB -1.014 37.717 39.000 -0.449 0.000 0.997 84 F HN -0.294 nan 8.300 nan 0.000 0.479 85 L N -0.490 120.543 121.223 -0.316 0.000 2.554 85 L HA 0.096 4.436 4.340 0.000 0.000 0.226 85 L C 2.478 179.238 176.870 -0.183 0.000 1.137 85 L CA 0.702 55.312 54.840 -0.383 0.000 0.863 85 L CB -1.133 40.712 42.059 -0.357 0.000 0.985 85 L HN 0.350 nan 8.230 nan 0.000 0.451 86 G N -0.815 107.927 108.800 -0.097 0.000 2.459 86 G HA2 -0.268 3.692 3.960 0.000 0.000 0.213 86 G HA3 -0.268 3.692 3.960 0.000 0.000 0.213 86 G C 1.446 176.477 174.900 0.218 0.000 1.155 86 G CA 0.092 45.190 45.100 -0.003 0.000 0.811 86 G HN 0.342 nan 8.290 nan 0.000 0.534 87 Y N 0.803 121.077 120.300 -0.042 0.000 2.181 87 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 87 Y C 2.849 178.639 175.900 -0.182 0.000 1.146 87 Y CA 2.256 60.299 58.100 -0.094 0.000 1.164 87 Y CB -0.049 38.300 38.460 -0.185 0.000 0.982 87 Y HN 0.279 nan 8.280 nan 0.000 0.515 88 Q N -0.063 119.476 119.800 -0.435 0.000 1.993 88 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 88 Q C 2.231 178.056 176.000 -0.292 0.000 0.984 88 Q CA 3.011 58.520 55.803 -0.490 0.000 0.837 88 Q CB -0.281 28.165 28.738 -0.486 0.000 0.902 88 Q HN 0.671 nan 8.270 nan 0.000 0.423 89 T N -0.538 113.957 114.554 -0.099 0.000 2.665 89 T HA -0.268 4.082 4.350 0.000 0.000 0.268 89 T C 1.485 176.155 174.700 -0.050 0.000 1.035 89 T CA 1.598 63.699 62.100 0.002 0.000 1.151 89 T CB -0.818 68.125 68.868 0.125 0.000 0.862 89 T HN 0.401 nan 8.240 nan 0.000 0.438 90 N N 1.108 119.739 118.700 -0.114 0.000 2.006 90 N HA -0.129 4.611 4.740 0.000 0.000 0.196 90 N C 1.896 177.213 175.510 -0.322 0.000 1.057 90 N CA 1.892 54.754 53.050 -0.314 0.000 0.853 90 N CB -0.949 37.149 38.487 -0.649 0.000 1.051 90 N HN 0.186 nan 8.380 nan 0.000 0.423 91 V N 0.646 120.284 119.914 -0.460 0.000 2.313 91 V HA -0.271 3.849 4.120 0.000 0.000 0.253 91 V C 2.271 178.301 176.094 -0.107 0.000 1.070 91 V CA 1.839 63.968 62.300 -0.284 0.000 1.057 91 V CB -0.528 31.073 31.823 -0.370 0.000 0.653 91 V HN 0.358 nan 8.190 nan 0.000 0.450 92 L N -1.747 119.345 121.223 -0.218 0.000 1.973 92 L HA -0.199 4.141 4.340 0.000 0.000 0.208 92 L C 2.439 179.300 176.870 -0.015 0.000 1.073 92 L CA 2.425 57.100 54.840 -0.274 0.000 0.746 92 L CB -0.962 40.920 42.059 -0.294 0.000 0.891 92 L HN 0.398 nan 8.230 nan 0.000 0.433 93 Y N -0.482 119.798 120.300 -0.033 0.000 2.315 93 Y HA -0.312 4.239 4.550 0.000 0.000 0.288 93 Y C 2.351 178.306 175.900 0.091 0.000 1.154 93 Y CA 1.342 59.472 58.100 0.050 0.000 1.229 93 Y CB -0.237 38.238 38.460 0.024 0.000 0.980 93 Y HN 0.242 nan 8.280 nan 0.000 0.540 94 W N 0.577 121.854 121.300 -0.039 0.000 2.378 94 W HA -0.216 4.444 4.660 0.000 0.000 0.313 94 W C 1.850 178.341 176.519 -0.046 0.000 1.197 94 W CA 2.259 59.581 57.345 -0.040 0.000 1.304 94 W CB -0.742 28.627 29.460 -0.152 0.000 1.148 94 W HN 0.045 nan 8.180 nan 0.000 0.494 95 L N 0.761 121.877 121.223 -0.178 0.000 1.989 95 L HA -0.253 4.087 4.340 0.000 0.000 0.211 95 L C 2.678 179.089 176.870 -0.765 0.000 1.071 95 L CA 1.753 56.177 54.840 -0.693 0.000 0.749 95 L CB -1.655 40.233 42.059 -0.284 0.000 0.890 95 L HN 0.113 nan 8.230 nan 0.000 0.431 96 A N -1.115 121.510 122.820 -0.324 0.000 2.084 96 A HA -0.236 4.084 4.320 0.000 0.000 0.221 96 A C 2.350 179.665 177.584 -0.447 0.000 1.161 96 A CA 1.932 53.788 52.037 -0.301 0.000 0.653 96 A CB -0.999 17.930 19.000 -0.117 0.000 0.802 96 A HN 0.580 nan 8.150 nan 0.000 0.457 97 C N -1.289 117.750 119.300 -0.434 0.000 2.543 97 C HA -0.025 4.435 4.460 0.000 0.000 0.281 97 C C 2.638 177.482 174.990 -0.244 0.000 1.276 97 C CA 0.523 59.410 59.018 -0.218 0.000 1.700 97 C CB -1.343 26.380 27.740 -0.028 0.000 2.093 97 C HN 0.949 nan 8.230 nan 0.000 0.488 98 W N 0.856 121.924 121.300 -0.388 0.000 2.494 98 W HA 0.197 4.857 4.660 0.000 0.000 0.286 98 W C 1.862 178.164 176.519 -0.363 0.000 1.218 98 W CA 0.439 57.553 57.345 -0.385 0.000 1.313 98 W CB -1.328 27.832 29.460 -0.500 0.000 1.105 98 W HN 0.209 nan 8.180 nan 0.000 0.561 99 I N 2.164 122.010 120.570 -1.207 0.000 2.163 99 I HA -0.187 3.983 4.170 0.000 0.000 0.243 99 I C 2.834 178.656 176.117 -0.491 0.000 1.085 99 I CA 2.114 62.832 61.300 -0.970 0.000 1.347 99 I CB -1.096 36.225 38.000 -1.131 0.000 1.044 99 I HN 0.077 nan 8.210 nan 0.000 0.408 100 G N 0.075 108.577 108.800 -0.496 0.000 2.471 100 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 100 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 100 G C 1.374 176.056 174.900 -0.364 0.000 1.125 100 G CA 0.469 45.319 45.100 -0.416 0.000 0.775 100 G HN 0.278 nan 8.290 nan 0.000 0.548 101 N N 0.436 118.946 118.700 -0.317 0.000 2.396 101 N HA 0.048 4.788 4.740 0.000 0.000 0.180 101 N C 2.113 177.531 175.510 -0.152 0.000 1.028 101 N CA 0.229 53.141 53.050 -0.231 0.000 0.893 101 N CB -0.142 38.264 38.487 -0.136 0.000 0.967 101 N HN 0.378 nan 8.380 nan 0.000 0.440 102 I N 0.240 120.736 120.570 -0.123 0.000 2.076 102 I HA -0.305 3.865 4.170 0.000 0.000 0.237 102 I C 2.112 178.182 176.117 -0.078 0.000 1.059 102 I CA 1.411 62.675 61.300 -0.061 0.000 1.317 102 I CB -0.431 37.559 38.000 -0.017 0.000 1.037 102 I HN 0.119 nan 8.210 nan 0.000 0.398 103 A N 0.164 122.917 122.820 -0.113 0.000 2.019 103 A HA -0.196 4.124 4.320 0.000 0.000 0.219 103 A C 2.313 179.823 177.584 -0.123 0.000 1.164 103 A CA 1.254 53.224 52.037 -0.112 0.000 0.644 103 A CB -0.436 18.484 19.000 -0.134 0.000 0.805 103 A HN 0.335 nan 8.150 nan 0.000 0.449 104 M N -0.443 119.063 119.600 -0.156 0.000 2.108 104 M HA -0.128 4.352 4.480 0.000 0.000 0.261 104 M C 2.185 178.412 176.300 -0.123 0.000 1.066 104 M CA 1.464 56.664 55.300 -0.166 0.000 1.107 104 M CB -1.178 31.293 32.600 -0.215 0.000 1.356 104 M HN 0.289 nan 8.290 nan 0.000 0.406 105 V N -0.713 119.148 119.914 -0.089 0.000 2.283 105 V HA -0.187 3.933 4.120 0.000 0.000 0.243 105 V C 2.578 178.659 176.094 -0.022 0.000 1.039 105 V CA 1.199 63.473 62.300 -0.044 0.000 1.016 105 V CB -0.882 30.935 31.823 -0.010 0.000 0.650 105 V HN 0.186 nan 8.190 nan 0.000 0.449 106 V N 0.441 120.341 119.914 -0.023 0.000 2.250 106 V HA -0.305 3.816 4.120 0.000 0.000 0.250 106 V C 2.337 178.431 176.094 0.001 0.000 1.060 106 V CA 2.217 64.511 62.300 -0.010 0.000 1.030 106 V CB -0.635 31.173 31.823 -0.024 0.000 0.643 106 V HN 0.406 nan 8.190 nan 0.000 0.445 107 I N 0.803 121.361 120.570 -0.020 0.000 2.315 107 I HA -0.094 4.076 4.170 0.000 0.000 0.248 107 I C 2.634 178.787 176.117 0.059 0.000 1.117 107 I CA 1.802 63.117 61.300 0.026 0.000 1.404 107 I CB -2.070 35.899 38.000 -0.052 0.000 1.071 107 I HN 0.391 nan 8.210 nan 0.000 0.419 108 G N 0.940 109.705 108.800 -0.059 0.000 2.421 108 G HA2 -0.153 3.808 3.960 0.000 0.000 0.216 108 G HA3 -0.153 3.808 3.960 0.000 0.000 0.216 108 G C 1.830 176.756 174.900 0.043 0.000 1.171 108 G CA 0.876 45.912 45.100 -0.107 0.000 0.775 108 G HN 0.275 nan 8.290 nan 0.000 0.543 109 V N 1.479 121.433 119.914 0.067 0.000 2.515 109 V HA -0.013 4.107 4.120 0.000 0.000 0.250 109 V C 2.914 179.095 176.094 0.146 0.000 1.058 109 V CA 1.592 63.948 62.300 0.093 0.000 1.064 109 V CB -0.774 31.087 31.823 0.063 0.000 0.675 109 V HN 0.433 nan 8.190 nan 0.000 0.461 110 G N -2.196 106.709 108.800 0.174 0.000 2.916 110 G HA2 -0.184 3.776 3.960 0.000 0.000 0.205 110 G HA3 -0.184 3.776 3.960 0.000 0.000 0.205 110 G C 0.953 176.082 174.900 0.381 0.000 1.163 110 G CA 0.219 45.431 45.100 0.186 0.000 0.821 110 G HN 0.559 nan 8.290 nan 0.000 0.515 111 Y N -0.927 119.454 120.300 0.136 0.000 2.445 111 Y HA 0.405 4.955 4.550 0.000 0.000 0.247 111 Y C 2.121 178.109 175.900 0.147 0.000 1.129 111 Y CA -0.290 57.901 58.100 0.152 0.000 1.251 111 Y CB 0.495 39.001 38.460 0.078 0.000 1.176 111 Y HN 0.124 nan 8.280 nan 0.000 0.522 112 L N -2.240 119.139 121.223 0.260 0.000 2.433 112 L HA 0.087 4.427 4.340 0.000 0.000 0.200 112 L C 1.626 178.634 176.870 0.230 0.000 1.059 112 L CA 0.514 55.463 54.840 0.182 0.000 0.835 112 L CB -0.234 41.873 42.059 0.080 0.000 1.076 112 L HN -0.215 nan 8.230 nan 0.000 0.481 113 S N -0.740 115.070 115.700 0.183 0.000 2.754 113 S HA 0.035 4.505 4.470 0.000 0.000 0.223 113 S C 0.895 175.600 174.600 0.174 0.000 0.951 113 S CA 0.116 58.407 58.200 0.152 0.000 0.954 113 S CB -0.117 63.120 63.200 0.062 0.000 0.780 113 S HN 0.276 nan 8.310 nan 0.000 0.509 114 Y N -0.951 119.430 120.300 0.135 0.000 2.430 114 Y HA 0.382 4.932 4.550 0.000 0.000 0.254 114 Y C 1.020 177.010 175.900 0.151 0.000 1.088 114 Y CA -1.230 56.925 58.100 0.093 0.000 1.267 114 Y CB 0.033 38.508 38.460 0.025 0.000 1.204 114 Y HN 0.384 nan 8.280 nan 0.000 0.515 115 F N -1.688 118.405 119.950 0.238 0.000 2.514 115 F HA 0.106 4.633 4.527 0.000 0.000 0.281 115 F C 1.853 177.809 175.800 0.259 0.000 1.060 115 F CA 0.573 58.688 58.000 0.191 0.000 1.397 115 F CB -0.621 38.493 39.000 0.192 0.000 1.129 115 F HN -0.102 nan 8.300 nan 0.000 0.620 116 F N 2.001 122.010 119.950 0.098 0.000 2.084 116 F HA 0.073 4.600 4.527 0.000 0.000 0.296 116 F C -1.130 174.625 175.800 -0.075 0.000 1.111 116 F CA 0.131 58.121 58.000 -0.016 0.000 1.224 116 F CB -0.840 38.214 39.000 0.090 0.000 0.991 116 F HN -0.105 nan 8.300 nan 0.000 0.471 117 P HA 0.289 nan 4.420 nan 0.000 0.241 117 P C 0.547 177.961 177.300 0.189 0.000 1.696 117 P CA -0.076 63.141 63.100 0.196 0.000 1.175 117 P CB 0.571 32.351 31.700 0.133 0.000 1.551 118 I N 1.613 122.389 120.570 0.343 0.000 2.496 118 I HA -0.285 3.885 4.170 0.000 0.000 0.220 118 I C 0.656 176.851 176.117 0.130 0.000 0.937 118 I CA 1.826 63.293 61.300 0.278 0.000 1.248 118 I CB -0.552 37.584 38.000 0.226 0.000 0.955 118 I HN 0.234 nan 8.210 nan 0.000 0.374 119 L N 0.336 121.615 121.223 0.093 0.000 2.476 119 L HA 0.293 4.633 4.340 0.000 0.000 0.269 119 L C -0.010 176.872 176.870 0.020 0.000 0.965 119 L CA -0.490 54.378 54.840 0.047 0.000 0.845 119 L CB 1.838 43.923 42.059 0.043 0.000 1.259 119 L HN 0.228 nan 8.230 nan 0.000 0.403 120 K N -0.272 120.125 120.400 -0.005 0.000 2.646 120 K HA 0.393 4.713 4.320 0.000 0.000 0.206 120 K C -0.742 175.825 176.600 -0.055 0.000 1.069 120 K CA -0.546 55.711 56.287 -0.049 0.000 1.067 120 K CB 0.769 33.231 32.500 -0.064 0.000 0.807 120 K HN 0.378 nan 8.250 nan 0.000 0.482 121 D N 1.694 122.075 120.400 -0.030 0.000 2.497 121 D HA 0.369 5.009 4.640 0.000 0.000 0.243 121 D C -2.639 173.648 176.300 -0.021 0.000 1.039 121 D CA -1.718 52.265 54.000 -0.028 0.000 1.052 121 D CB 1.760 42.548 40.800 -0.020 0.000 1.344 121 D HN -0.105 nan 8.370 nan 0.000 0.553 122 P HA 0.152 nan 4.420 nan 0.000 0.272 122 P C 0.417 177.711 177.300 -0.011 0.000 1.230 122 P CA -0.252 62.840 63.100 -0.015 0.000 0.788 122 P CB 0.580 32.268 31.700 -0.020 0.000 0.949 123 L N -0.141 121.079 121.223 -0.005 0.000 5.272 123 L HA -0.270 4.070 4.340 0.000 0.000 0.439 123 L C 1.409 178.283 176.870 0.007 0.000 1.014 123 L CA 1.274 56.107 54.840 -0.012 0.000 1.156 123 L CB -2.208 39.826 42.059 -0.042 0.000 1.767 123 L HN 0.223 nan 8.230 nan 0.000 0.703 124 V N -1.576 118.345 119.914 0.012 0.000 2.949 124 V HA 0.048 4.168 4.120 0.000 0.000 0.245 124 V C 1.775 177.890 176.094 0.035 0.000 1.086 124 V CA 1.285 63.597 62.300 0.020 0.000 1.097 124 V CB 0.294 32.124 31.823 0.011 0.000 0.762 124 V HN 0.467 nan 8.190 nan 0.000 0.470 125 L N -0.353 120.890 121.223 0.033 0.000 2.354 125 L HA 0.006 4.346 4.340 0.000 0.000 0.212 125 L C 2.322 179.236 176.870 0.073 0.000 1.091 125 L CA 1.072 55.937 54.840 0.042 0.000 0.828 125 L CB -0.119 41.950 42.059 0.017 0.000 0.973 125 L HN 0.292 nan 8.230 nan 0.000 0.461 126 T N 0.558 115.166 114.554 0.090 0.000 2.833 126 T HA -0.127 4.223 4.350 0.000 0.000 0.269 126 T C 1.753 176.585 174.700 0.220 0.000 1.054 126 T CA 1.490 63.687 62.100 0.162 0.000 1.135 126 T CB -0.140 68.835 68.868 0.179 0.000 0.869 126 T HN 0.295 nan 8.240 nan 0.000 0.466 127 L N 1.040 122.363 121.223 0.166 0.000 2.375 127 L HA 0.049 4.389 4.340 0.000 0.000 0.215 127 L C 2.799 179.745 176.870 0.126 0.000 1.108 127 L CA 0.943 55.885 54.840 0.170 0.000 0.830 127 L CB -0.659 41.470 42.059 0.117 0.000 0.959 127 L HN 0.374 nan 8.230 nan 0.000 0.457 128 T N -4.197 110.417 114.554 0.101 0.000 3.043 128 T HA -0.079 4.271 4.350 0.000 0.000 0.263 128 T C 1.929 176.691 174.700 0.102 0.000 1.094 128 T CA 0.403 62.555 62.100 0.087 0.000 1.127 128 T CB -0.537 68.371 68.868 0.067 0.000 0.905 128 T HN 0.237 nan 8.240 nan 0.000 0.490 129 C N 1.259 120.625 119.300 0.109 0.000 2.496 129 C HA 0.040 4.500 4.460 0.000 0.000 0.281 129 C C 2.866 177.938 174.990 0.136 0.000 1.250 129 C CA 0.300 59.382 59.018 0.107 0.000 1.717 129 C CB -1.154 26.640 27.740 0.091 0.000 2.082 129 C HN 0.413 nan 8.230 nan 0.000 0.472 130 V N 1.699 121.704 119.914 0.153 0.000 2.370 130 V HA -0.293 3.827 4.120 0.000 0.000 0.252 130 V C 2.575 178.856 176.094 0.313 0.000 1.068 130 V CA 2.316 64.746 62.300 0.217 0.000 1.061 130 V CB -1.394 30.528 31.823 0.165 0.000 0.656 130 V HN 0.650 nan 8.190 nan 0.000 0.455 131 A N -0.371 122.568 122.820 0.198 0.000 1.835 131 A HA -0.188 4.132 4.320 0.000 0.000 0.215 131 A C 2.458 180.150 177.584 0.180 0.000 1.199 131 A CA 2.078 54.212 52.037 0.161 0.000 0.615 131 A CB -1.003 18.054 19.000 0.095 0.000 0.838 131 A HN 0.358 nan 8.150 nan 0.000 0.444 132 V N 0.041 120.049 119.914 0.156 0.000 2.594 132 V HA -0.193 3.927 4.120 0.000 0.000 0.253 132 V C 2.319 178.578 176.094 0.275 0.000 1.069 132 V CA 1.899 64.304 62.300 0.176 0.000 1.082 132 V CB -0.506 31.434 31.823 0.195 0.000 0.680 132 V HN 0.547 nan 8.190 nan 0.000 0.469 133 L N -1.425 119.936 121.223 0.231 0.000 1.955 133 L HA -0.208 4.132 4.340 0.000 0.000 0.213 133 L C 2.362 179.315 176.870 0.138 0.000 1.072 133 L CA 2.708 57.645 54.840 0.161 0.000 0.755 133 L CB -0.604 41.476 42.059 0.034 0.000 0.888 133 L HN 0.430 nan 8.230 nan 0.000 0.432 134 W N -0.101 121.236 121.300 0.063 0.000 2.421 134 W HA -0.151 4.509 4.660 0.000 0.000 0.270 134 W C 2.339 178.860 176.519 0.003 0.000 1.233 134 W CA 0.600 57.964 57.345 0.032 0.000 1.226 134 W CB -0.434 29.029 29.460 0.005 0.000 1.121 134 W HN 0.134 nan 8.180 nan 0.000 0.579 135 I N -1.170 119.489 120.570 0.149 0.000 2.208 135 I HA -0.325 3.845 4.170 0.000 0.000 0.245 135 I C 1.762 177.747 176.117 -0.220 0.000 1.097 135 I CA 1.470 62.709 61.300 -0.103 0.000 1.363 135 I CB -0.533 37.285 38.000 -0.303 0.000 1.051 135 I HN -0.080 nan 8.210 nan 0.000 0.413 136 F N -0.943 119.035 119.950 0.046 0.000 2.473 136 F HA 0.013 4.540 4.527 0.000 0.000 0.294 136 F C 2.173 177.975 175.800 0.004 0.000 1.103 136 F CA 0.421 58.434 58.000 0.022 0.000 1.442 136 F CB -0.479 38.529 39.000 0.013 0.000 1.097 136 F HN -0.248 nan 8.300 nan 0.000 0.547 137 V N 0.422 120.410 119.914 0.122 0.000 3.241 137 V HA -0.119 4.001 4.120 0.000 0.000 0.269 137 V C 1.437 177.569 176.094 0.063 0.000 1.151 137 V CA 1.501 63.805 62.300 0.006 0.000 1.158 137 V CB -0.335 31.338 31.823 -0.249 0.000 0.764 137 V HN 0.347 nan 8.190 nan 0.000 0.508 138 L N -1.814 119.466 121.223 0.094 0.000 2.672 138 L HA 0.211 4.551 4.340 0.000 0.000 0.236 138 L C 1.869 178.768 176.870 0.050 0.000 1.092 138 L CA 0.229 55.121 54.840 0.087 0.000 0.887 138 L CB 0.151 42.272 42.059 0.103 0.000 1.168 138 L HN 0.223 nan 8.230 nan 0.000 0.502 139 L N -0.280 120.967 121.223 0.040 0.000 2.240 139 L HA -0.041 4.299 4.340 0.000 0.000 0.211 139 L C 2.052 178.966 176.870 0.073 0.000 1.106 139 L CA 0.494 55.357 54.840 0.039 0.000 0.793 139 L CB -0.334 41.740 42.059 0.025 0.000 0.927 139 L HN 0.343 nan 8.230 nan 0.000 0.446 140 N N 0.442 119.197 118.700 0.091 0.000 2.109 140 N HA -0.036 4.704 4.740 0.000 0.000 0.188 140 N C 0.760 176.307 175.510 0.062 0.000 1.034 140 N CA 0.962 54.059 53.050 0.080 0.000 0.846 140 N CB 0.351 38.889 38.487 0.084 0.000 1.010 140 N HN 0.186 nan 8.380 nan 0.000 0.425 141 I N 2.097 122.703 120.570 0.060 0.000 2.330 141 I HA 0.209 4.380 4.170 0.000 0.000 0.286 141 I C -1.057 175.089 176.117 0.049 0.000 1.025 141 I CA -0.401 60.930 61.300 0.053 0.000 1.197 141 I CB 0.541 38.573 38.000 0.055 0.000 1.358 141 I HN -0.306 nan 8.210 nan 0.000 0.467 142 V N 5.508 125.445 119.914 0.039 0.000 2.769 142 V HA 0.899 5.019 4.120 0.000 0.000 0.312 142 V C 0.410 176.525 176.094 0.034 0.000 1.058 142 V CA -0.430 61.891 62.300 0.036 0.000 0.952 142 V CB 1.468 33.309 31.823 0.029 0.000 1.019 142 V HN 0.935 nan 8.190 nan 0.000 0.445 143 G N 3.880 112.701 108.800 0.035 0.000 2.403 143 G HA2 -0.003 3.957 3.960 0.000 0.000 0.393 143 G HA3 -0.003 3.957 3.960 0.000 0.000 0.393 143 G C -2.298 172.625 174.900 0.038 0.000 1.106 143 G CA -0.316 44.804 45.100 0.033 0.000 1.305 143 G HN 0.599 nan 8.290 nan 0.000 0.628 144 P HA 0.014 nan 4.420 nan 0.000 0.221 144 P C 1.694 179.011 177.300 0.029 0.000 1.150 144 P CA 0.940 64.060 63.100 0.033 0.000 0.800 144 P CB 0.270 31.986 31.700 0.026 0.000 0.787 145 K N -1.618 118.798 120.400 0.026 0.000 2.365 145 K HA 0.018 4.338 4.320 0.000 0.000 0.197 145 K C 1.872 178.490 176.600 0.029 0.000 1.042 145 K CA 0.490 56.791 56.287 0.024 0.000 0.987 145 K CB -0.237 32.275 32.500 0.020 0.000 0.779 145 K HN -0.029 nan 8.250 nan 0.000 0.484 146 M N 1.072 120.693 119.600 0.035 0.000 2.073 146 M HA -0.082 4.398 4.480 0.000 0.000 0.259 146 M C 1.553 177.887 176.300 0.057 0.000 1.079 146 M CA 1.631 56.954 55.300 0.040 0.000 1.131 146 M CB -0.211 32.411 32.600 0.037 0.000 1.316 146 M HN 0.117 nan 8.290 nan 0.000 0.415 147 I N -0.856 119.759 120.570 0.074 0.000 2.286 147 I HA -0.143 4.027 4.170 0.000 0.000 0.248 147 I C 2.148 178.313 176.117 0.080 0.000 1.115 147 I CA 1.932 63.297 61.300 0.109 0.000 1.392 147 I CB -2.503 35.574 38.000 0.128 0.000 1.065 147 I HN 0.496 nan 8.210 nan 0.000 0.418 148 T N -1.246 113.338 114.554 0.050 0.000 2.915 148 T HA -0.065 4.285 4.350 0.000 0.000 0.269 148 T C 1.954 176.675 174.700 0.035 0.000 1.071 148 T CA 1.056 63.174 62.100 0.031 0.000 1.132 148 T CB -0.451 68.427 68.868 0.017 0.000 0.878 148 T HN 0.406 nan 8.240 nan 0.000 0.479 149 R N 0.613 121.138 120.500 0.041 0.000 2.057 149 R HA 0.055 4.395 4.340 0.000 0.000 0.229 149 R C 2.672 179.003 176.300 0.052 0.000 1.136 149 R CA 1.256 57.380 56.100 0.039 0.000 0.952 149 R CB -0.909 29.412 30.300 0.035 0.000 0.848 149 R HN 0.266 nan 8.270 nan 0.000 0.430 150 V N 1.461 121.419 119.914 0.073 0.000 2.231 150 V HA -0.348 3.772 4.120 0.000 0.000 0.248 150 V C 2.450 178.602 176.094 0.097 0.000 1.054 150 V CA 2.293 64.654 62.300 0.103 0.000 1.015 150 V CB -0.694 31.231 31.823 0.170 0.000 0.638 150 V HN 0.333 nan 8.190 nan 0.000 0.444 151 Q N 0.443 120.296 119.800 0.088 0.000 2.062 151 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 151 Q C 2.136 178.160 176.000 0.039 0.000 0.996 151 Q CA 2.735 58.569 55.803 0.051 0.000 0.859 151 Q CB -0.740 28.014 28.738 0.027 0.000 0.920 151 Q HN 0.613 nan 8.270 nan 0.000 0.415 152 A N -0.696 122.145 122.820 0.035 0.000 1.917 152 A HA -0.185 4.135 4.320 0.000 0.000 0.219 152 A C 2.276 179.879 177.584 0.032 0.000 1.182 152 A CA 1.935 53.988 52.037 0.028 0.000 0.633 152 A CB -0.867 18.148 19.000 0.024 0.000 0.819 152 A HN 0.316 nan 8.150 nan 0.000 0.448 153 V N -0.488 119.449 119.914 0.040 0.000 2.346 153 V HA -0.139 3.981 4.120 0.000 0.000 0.244 153 V C 3.035 179.156 176.094 0.045 0.000 1.037 153 V CA 1.647 63.971 62.300 0.041 0.000 1.029 153 V CB -1.269 30.580 31.823 0.043 0.000 0.663 153 V HN 0.612 nan 8.190 nan 0.000 0.454 154 A N 1.131 123.983 122.820 0.052 0.000 1.908 154 A HA -0.272 4.048 4.320 0.000 0.000 0.218 154 A C 2.480 180.087 177.584 0.039 0.000 1.181 154 A CA 2.802 54.869 52.037 0.051 0.000 0.627 154 A CB -1.055 17.981 19.000 0.060 0.000 0.818 154 A HN 0.647 nan 8.150 nan 0.000 0.445 155 T N -3.341 111.234 114.554 0.035 0.000 2.951 155 T HA -0.009 4.341 4.350 0.000 0.000 0.268 155 T C 1.636 176.357 174.700 0.035 0.000 1.073 155 T CA 1.192 63.312 62.100 0.033 0.000 1.134 155 T CB -0.453 68.432 68.868 0.028 0.000 0.884 155 T HN 0.045 nan 8.240 nan 0.000 0.479 156 V N 1.422 121.356 119.914 0.034 0.000 2.427 156 V HA -0.017 4.103 4.120 0.000 0.000 0.248 156 V C 2.674 178.791 176.094 0.038 0.000 1.051 156 V CA 1.402 63.722 62.300 0.034 0.000 1.048 156 V CB -0.585 31.257 31.823 0.031 0.000 0.666 156 V HN 0.480 nan 8.190 nan 0.000 0.456 157 L N 0.009 121.258 121.223 0.042 0.000 2.072 157 L HA -0.047 4.293 4.340 0.000 0.000 0.205 157 L C 2.604 179.505 176.870 0.052 0.000 1.079 157 L CA 1.474 56.343 54.840 0.048 0.000 0.752 157 L CB -0.791 41.300 42.059 0.053 0.000 0.906 157 L HN 0.324 nan 8.230 nan 0.000 0.436 158 A N -0.522 122.328 122.820 0.050 0.000 2.172 158 A HA -0.118 4.202 4.320 0.000 0.000 0.216 158 A C 2.119 179.741 177.584 0.062 0.000 1.154 158 A CA 1.065 53.136 52.037 0.056 0.000 0.701 158 A CB -0.342 18.685 19.000 0.044 0.000 0.789 158 A HN 0.324 nan 8.150 nan 0.000 0.465 159 L N -0.978 120.278 121.223 0.054 0.000 2.298 159 L HA 0.050 4.390 4.340 0.000 0.000 0.209 159 L C 2.266 179.167 176.870 0.052 0.000 1.084 159 L CA 1.042 55.914 54.840 0.053 0.000 0.816 159 L CB -0.179 41.905 42.059 0.042 0.000 0.967 159 L HN 0.122 nan 8.230 nan 0.000 0.460 160 V N 1.644 121.587 119.914 0.048 0.000 2.278 160 V HA -0.264 3.856 4.120 0.000 0.000 0.251 160 V C -0.220 175.902 176.094 0.045 0.000 1.062 160 V CA 2.515 64.841 62.300 0.042 0.000 1.038 160 V CB -2.099 29.747 31.823 0.037 0.000 0.646 160 V HN 0.419 nan 8.190 nan 0.000 0.447 161 P HA -0.113 nan 4.420 nan 0.000 0.214 161 P C 1.842 179.188 177.300 0.077 0.000 1.162 161 P CA 1.674 64.811 63.100 0.062 0.000 0.874 161 P CB -0.053 31.693 31.700 0.076 0.000 0.784 162 I N -0.434 120.188 120.570 0.087 0.000 2.252 162 I HA -0.143 4.027 4.170 0.000 0.000 0.245 162 I C 2.699 178.855 176.117 0.066 0.000 1.102 162 I CA 1.024 62.375 61.300 0.085 0.000 1.385 162 I CB -0.936 37.118 38.000 0.091 0.000 1.064 162 I HN -0.178 nan 8.210 nan 0.000 0.414 163 V N 1.477 121.426 119.914 0.059 0.000 2.626 163 V HA -0.108 4.012 4.120 0.000 0.000 0.252 163 V C 2.278 178.405 176.094 0.054 0.000 1.067 163 V CA 2.085 64.417 62.300 0.053 0.000 1.081 163 V CB -0.569 31.280 31.823 0.043 0.000 0.686 163 V HN 0.517 nan 8.190 nan 0.000 0.468 164 G N 0.119 108.949 108.800 0.051 0.000 2.484 164 G HA2 -0.081 3.879 3.960 0.000 0.000 0.218 164 G HA3 -0.081 3.879 3.960 0.000 0.000 0.218 164 G C 0.968 175.896 174.900 0.047 0.000 1.130 164 G CA 0.224 45.351 45.100 0.045 0.000 0.784 164 G HN 0.478 nan 8.290 nan 0.000 0.543 165 I N 2.098 122.698 120.570 0.049 0.000 3.309 165 I HA 0.217 4.387 4.170 0.000 0.000 0.287 165 I C 1.339 177.480 176.117 0.041 0.000 1.221 165 I CA -0.483 60.832 61.300 0.025 0.000 1.575 165 I CB -0.791 37.220 38.000 0.019 0.000 1.254 165 I HN 0.134 nan 8.210 nan 0.000 0.600 166 A N 2.178 125.052 122.820 0.090 0.000 2.713 166 A HA 0.434 4.754 4.320 0.000 0.000 0.296 166 A C 0.429 178.141 177.584 0.215 0.000 1.255 166 A CA -0.195 51.954 52.037 0.186 0.000 0.955 166 A CB -0.146 18.934 19.000 0.134 0.000 1.149 166 A HN 0.161 nan 8.150 nan 0.000 0.538 167 V N -2.765 117.232 119.914 0.138 0.000 2.305 167 V HA 0.471 4.591 4.120 0.000 0.000 0.275 167 V C -0.276 175.872 176.094 0.089 0.000 1.020 167 V CA -0.349 62.027 62.300 0.127 0.000 0.811 167 V CB -0.209 31.648 31.823 0.056 0.000 1.031 167 V HN 0.309 nan 8.190 nan 0.000 0.439 168 F N 2.892 122.853 119.950 0.018 0.000 2.757 168 F HA 0.542 5.069 4.527 0.000 0.000 0.292 168 F C 1.536 177.347 175.800 0.018 0.000 1.204 168 F CA -0.274 57.736 58.000 0.018 0.000 1.417 168 F CB 0.389 39.397 39.000 0.014 0.000 1.001 168 F HN 0.644 nan 8.300 nan 0.000 0.508 169 G N 0.009 108.875 108.800 0.110 0.000 2.428 169 G HA2 0.431 4.391 3.960 0.000 0.000 0.320 169 G HA3 0.431 4.391 3.960 0.000 0.000 0.320 169 G C -1.274 173.647 174.900 0.035 0.000 1.098 169 G CA -0.236 44.908 45.100 0.074 0.000 0.984 169 G HN 0.290 nan 8.290 nan 0.000 0.444 170 W N 1.718 123.038 121.300 0.034 0.000 2.934 170 W HA 0.663 5.323 4.660 0.000 0.000 0.333 170 W C -0.210 176.340 176.519 0.053 0.000 1.035 170 W CA -2.074 55.308 57.345 0.060 0.000 1.256 170 W CB -0.494 28.998 29.460 0.054 0.000 1.306 170 W HN 1.065 nan 8.180 nan 0.000 0.430 171 F N 1.249 121.246 119.950 0.078 0.000 2.629 171 F HA 0.458 4.985 4.527 0.000 0.000 0.377 171 F C 0.416 176.249 175.800 0.055 0.000 1.101 171 F CA -0.190 57.849 58.000 0.065 0.000 1.301 171 F CB -0.308 38.765 39.000 0.121 0.000 1.062 171 F HN 1.844 nan 8.300 nan 0.000 0.583 172 W N 1.723 123.046 121.300 0.038 0.000 2.532 172 W HA 0.695 5.355 4.660 0.000 0.000 0.321 172 W C -0.085 176.453 176.519 0.031 0.000 1.037 172 W CA -2.053 55.311 57.345 0.032 0.000 1.220 172 W CB -0.591 28.882 29.460 0.022 0.000 1.361 172 W HN 2.138 nan 8.180 nan 0.000 0.468 173 F N 1.902 121.871 119.950 0.032 0.000 2.613 173 F HA 0.439 4.966 4.527 0.000 0.000 0.373 173 F C 0.316 176.129 175.800 0.023 0.000 1.085 173 F CA 0.416 58.434 58.000 0.030 0.000 1.309 173 F CB -0.891 38.123 39.000 0.024 0.000 0.986 173 F HN 1.526 nan 8.300 nan 0.000 0.592 183 N N 1.511 120.200 118.700 -0.019 0.000 2.874 183 N HA 0.594 5.334 4.740 0.000 0.000 0.316 183 N C 0.105 175.599 175.510 -0.027 0.000 1.205 183 N CA 1.207 54.245 53.050 -0.021 0.000 1.180 183 N CB -0.576 37.901 38.487 -0.017 0.000 1.450 183 N HN 1.832 nan 8.380 nan 0.000 0.528 184 V N -0.519 119.376 119.914 -0.031 0.000 2.834 184 V HA 0.777 4.897 4.120 0.000 0.000 0.301 184 V C 1.113 177.188 176.094 -0.033 0.000 1.066 184 V CA -0.360 61.919 62.300 -0.036 0.000 1.052 184 V CB 0.583 32.382 31.823 -0.041 0.000 1.021 184 V HN 0.884 nan 8.190 nan 0.000 0.480 185 S N 2.729 118.408 115.700 -0.035 0.000 2.516 185 S HA 0.463 4.933 4.470 0.000 0.000 0.282 185 S C 1.103 175.686 174.600 -0.029 0.000 1.286 185 S CA 0.057 58.239 58.200 -0.031 0.000 1.066 185 S CB -0.090 63.090 63.200 -0.034 0.000 0.884 185 S HN 2.234 nan 8.310 nan 0.000 0.491 186 G N 1.390 110.175 108.800 -0.024 0.000 2.451 186 G HA2 0.489 4.450 3.960 0.000 0.000 0.287 186 G HA3 0.489 4.450 3.960 0.000 0.000 0.287 186 G C 0.177 175.065 174.900 -0.020 0.000 0.617 186 G CA 0.936 46.023 45.100 -0.021 0.000 2.108 186 G HN 1.531 nan 8.290 nan 0.000 0.531 187 M N 0.064 119.651 119.600 -0.023 0.000 2.691 187 M HA 0.849 5.329 4.480 0.000 0.000 0.293 187 M C 0.431 176.719 176.300 -0.019 0.000 1.259 187 M CA -0.254 55.035 55.300 -0.018 0.000 0.827 187 M CB 0.002 32.591 32.600 -0.019 0.000 1.753 187 M HN 1.018 nan 8.290 nan 0.000 0.465 188 N N 0.434 119.126 118.700 -0.013 0.000 2.267 188 N HA 0.471 5.211 4.740 0.000 0.000 0.226 188 N C 1.375 176.873 175.510 -0.019 0.000 1.314 188 N CA 1.053 54.095 53.050 -0.014 0.000 0.887 188 N CB -0.678 nan 38.487 nan 0.000 1.120 188 N HN 2.047 nan 8.380 nan 0.000 0.440 189 T N -1.463 113.073 114.554 -0.030 0.000 2.737 189 T HA 0.064 4.414 4.350 0.000 0.000 0.269 189 T C 2.156 176.850 174.700 -0.009 0.000 1.040 189 T CA 3.435 65.506 62.100 -0.048 0.000 1.142 189 T CB -1.154 67.660 68.868 -0.091 0.000 0.861 189 T HN 1.185 nan 8.240 nan 0.000 0.456 190 F N 1.301 121.261 119.950 0.018 0.000 2.098 190 F HA 0.368 4.895 4.527 0.000 0.000 0.294 190 F C 2.963 178.779 175.800 0.027 0.000 1.107 190 F CA 1.097 59.127 58.000 0.050 0.000 1.234 190 F CB -1.308 37.732 39.000 0.066 0.000 1.002 190 F HN 0.423 nan 8.300 nan 0.000 0.472 191 G N -0.668 108.138 108.800 0.011 0.000 2.535 191 G HA2 0.132 4.092 3.960 0.000 0.000 0.218 191 G HA3 0.132 4.092 3.960 0.000 0.000 0.218 191 G C 1.775 176.657 174.900 -0.031 0.000 1.122 191 G CA 1.274 46.370 45.100 -0.007 0.000 0.769 191 G HN 0.975 nan 8.290 nan 0.000 0.549 192 A N 0.528 123.330 122.820 -0.030 0.000 1.911 192 A HA 0.383 4.703 4.320 0.000 0.000 0.212 192 A C 2.660 180.208 177.584 -0.059 0.000 1.189 192 A CA 1.360 53.370 52.037 -0.045 0.000 0.639 192 A CB -0.498 18.477 19.000 -0.041 0.000 0.839 192 A HN 0.772 nan 8.150 nan 0.000 0.449 193 I N -0.491 120.057 120.570 -0.036 0.000 2.394 193 I HA -0.202 3.968 4.170 0.000 0.000 0.251 193 I C 2.241 178.273 176.117 -0.140 0.000 1.136 193 I CA 2.216 63.487 61.300 -0.048 0.000 1.425 193 I CB -1.563 36.462 38.000 0.040 0.000 1.079 193 I HN 0.595 nan 8.210 nan 0.000 0.425 194 Q N 1.009 120.721 119.800 -0.147 0.000 2.167 194 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 194 Q C 2.460 178.317 176.000 -0.239 0.000 0.970 194 Q CA 1.844 57.497 55.803 -0.250 0.000 0.855 194 Q CB -0.214 28.421 28.738 -0.172 0.000 0.911 194 Q HN 0.925 nan 8.270 nan 0.000 0.438 195 S N -0.871 114.731 115.700 -0.164 0.000 2.527 195 S HA 0.019 4.489 4.470 0.000 0.000 0.222 195 S C 1.691 176.192 174.600 -0.164 0.000 0.985 195 S CA 0.624 58.736 58.200 -0.146 0.000 0.921 195 S CB 0.097 63.234 63.200 -0.105 0.000 0.772 195 S HN 0.162 nan 8.310 nan 0.000 0.529 196 T N 2.756 117.196 114.554 -0.190 0.000 2.978 196 T HA 0.277 4.627 4.350 0.000 0.000 0.262 196 T C 1.593 176.122 174.700 -0.285 0.000 1.063 196 T CA 0.485 62.446 62.100 -0.231 0.000 1.140 196 T CB -0.309 68.419 68.868 -0.233 0.000 0.886 196 T HN 0.294 nan 8.240 nan 0.000 0.470 197 L N 1.337 122.384 121.223 -0.293 0.000 2.093 197 L HA -0.051 4.289 4.340 0.000 0.000 0.208 197 L C 2.134 178.876 176.870 -0.213 0.000 1.085 197 L CA 0.821 55.471 54.840 -0.317 0.000 0.755 197 L CB -0.734 41.040 42.059 -0.475 0.000 0.904 197 L HN 0.173 nan 8.230 nan 0.000 0.435 198 N N -0.437 118.159 118.700 -0.173 0.000 2.503 198 N HA -0.136 4.604 4.740 0.000 0.000 0.189 198 N C 1.418 176.927 175.510 -0.002 0.000 1.048 198 N CA 0.939 53.954 53.050 -0.058 0.000 0.905 198 N CB -0.107 38.323 38.487 -0.095 0.000 0.951 198 N HN 0.212 nan 8.380 nan 0.000 0.446 199 V N -1.221 118.647 119.914 -0.076 0.000 3.219 199 V HA 0.009 4.129 4.120 0.000 0.000 0.240 199 V C 2.046 178.096 176.094 -0.075 0.000 1.222 199 V CA 1.370 63.626 62.300 -0.074 0.000 1.181 199 V CB -0.086 31.646 31.823 -0.153 0.000 0.941 199 V HN 0.352 nan 8.190 nan 0.000 0.471 200 T N -1.557 112.873 114.554 -0.206 0.000 3.067 200 T HA 0.095 4.445 4.350 0.000 0.000 0.261 200 T C 1.809 176.538 174.700 0.049 0.000 1.110 200 T CA 0.770 62.719 62.100 -0.251 0.000 1.113 200 T CB -0.125 68.305 68.868 -0.731 0.000 0.917 200 T HN 0.275 nan 8.240 nan 0.000 0.499 201 L N -1.067 120.143 121.223 -0.022 0.000 2.023 201 L HA 0.146 4.486 4.340 0.000 0.000 0.205 201 L C 1.847 178.694 176.870 -0.038 0.000 1.073 201 L CA 1.075 55.841 54.840 -0.122 0.000 0.745 201 L CB -0.427 41.375 42.059 -0.429 0.000 0.900 201 L HN 0.346 nan 8.230 nan 0.000 0.435 202 W N -0.211 121.091 121.300 0.002 0.000 3.446 202 W HA 0.007 4.667 4.660 0.000 0.000 0.298 202 W C 2.099 178.661 176.519 0.072 0.000 1.299 202 W CA 0.379 57.743 57.345 0.032 0.000 1.686 202 W CB -0.463 28.981 29.460 -0.027 0.000 1.046 202 W HN 0.169 nan 8.180 nan 0.000 0.746 203 S N -2.066 113.797 115.700 0.271 0.000 2.511 203 S HA 0.083 4.553 4.470 0.000 0.000 0.214 203 S C 1.040 175.704 174.600 0.107 0.000 0.997 203 S CA 0.055 58.372 58.200 0.194 0.000 0.908 203 S CB -0.469 62.832 63.200 0.169 0.000 0.803 203 S HN 0.149 nan 8.310 nan 0.000 0.504 204 F N 1.460 121.585 119.950 0.293 0.000 2.678 204 F HA 0.498 5.025 4.527 0.000 0.000 0.305 204 F C 0.377 176.277 175.800 0.167 0.000 1.090 204 F CA -0.889 57.240 58.000 0.215 0.000 1.272 204 F CB 0.338 39.447 39.000 0.180 0.000 1.060 204 F HN 0.109 nan 8.300 nan 0.000 0.576 205 I N 1.578 122.327 120.570 0.300 0.000 2.725 205 I HA 0.055 4.225 4.170 0.000 0.000 0.296 205 I C 1.254 177.629 176.117 0.429 0.000 1.155 205 I CA 0.931 62.414 61.300 0.305 0.000 1.450 205 I CB -1.034 37.142 38.000 0.294 0.000 1.478 205 I HN 0.410 nan 8.210 nan 0.000 0.642 206 G N 4.743 113.825 108.800 0.470 0.000 4.258 206 G HA2 0.006 3.966 3.960 0.000 0.000 0.208 206 G HA3 0.006 3.966 3.960 0.000 0.000 0.208 206 G C 0.315 175.347 174.900 0.220 0.000 0.777 206 G CA 0.278 45.649 45.100 0.451 0.000 0.836 206 G HN 0.405 nan 8.290 nan 0.000 0.499 207 V N 0.167 120.214 119.914 0.222 0.000 3.960 207 V HA 0.447 4.567 4.120 0.000 0.000 0.274 207 V C 1.588 177.597 176.094 -0.142 0.000 0.973 207 V CA 1.737 64.074 62.300 0.061 0.000 0.981 207 V CB 0.197 32.074 31.823 0.091 0.000 1.222 207 V HN 1.531 nan 8.190 nan 0.000 0.437 208 E N -1.242 118.720 120.200 -0.396 0.000 3.208 208 E HA -0.335 4.015 4.350 0.000 0.000 0.277 208 E C 1.074 177.419 176.600 -0.425 0.000 0.989 208 E CA 1.881 57.816 56.400 -0.774 0.000 0.850 208 E CB -2.813 25.818 29.700 -1.782 0.000 1.429 208 E HN 1.464 nan 8.360 nan 0.000 0.463 209 S N -0.611 114.923 115.700 -0.276 0.000 2.383 209 S HA 0.073 4.543 4.470 0.000 0.000 0.227 209 S C 2.117 176.597 174.600 -0.200 0.000 1.026 209 S CA 0.989 59.025 58.200 -0.273 0.000 0.981 209 S CB -0.350 62.666 63.200 -0.307 0.000 0.818 209 S HN 0.783 nan 8.310 nan 0.000 0.472 210 A N 1.467 124.200 122.820 -0.145 0.000 2.016 210 A HA 0.173 4.493 4.320 0.000 0.000 0.217 210 A C 2.322 179.870 177.584 -0.060 0.000 1.162 210 A CA 1.208 53.193 52.037 -0.086 0.000 0.662 210 A CB -0.812 18.158 19.000 -0.049 0.000 0.812 210 A HN 0.518 nan 8.150 nan 0.000 0.450 211 S N -0.099 115.560 115.700 -0.067 0.000 2.402 211 S HA -0.115 4.355 4.470 0.000 0.000 0.229 211 S C 1.805 176.349 174.600 -0.093 0.000 1.021 211 S CA 1.570 59.775 58.200 0.009 0.000 0.974 211 S CB -0.371 62.928 63.200 0.166 0.000 0.800 211 S HN 0.673 nan 8.310 nan 0.000 0.484 212 V N -0.267 119.550 119.914 -0.162 0.000 3.052 212 V HA 0.302 4.422 4.120 0.000 0.000 0.254 212 V C 2.222 178.260 176.094 -0.093 0.000 1.100 212 V CA 0.794 62.998 62.300 -0.161 0.000 1.112 212 V CB -1.196 30.510 31.823 -0.195 0.000 0.738 212 V HN 0.382 nan 8.190 nan 0.000 0.469 213 A N 1.106 123.874 122.820 -0.086 0.000 2.015 213 A HA 0.383 4.703 4.320 0.000 0.000 0.219 213 A C 1.732 179.297 177.584 -0.033 0.000 1.163 213 A CA 0.922 52.924 52.037 -0.058 0.000 0.646 213 A CB -0.786 18.175 19.000 -0.065 0.000 0.806 213 A HN 0.924 nan 8.150 nan 0.000 0.448 214 A N -1.951 120.852 122.820 -0.029 0.000 2.577 214 A HA 0.391 4.711 4.320 0.000 0.000 0.233 214 A C 1.823 179.402 177.584 -0.008 0.000 1.076 214 A CA 0.924 52.955 52.037 -0.010 0.000 0.767 214 A CB -0.611 18.391 19.000 0.003 0.000 1.017 214 A HN 2.093 nan 8.150 nan 0.000 0.511 215 G N -0.459 108.342 108.800 0.002 0.000 2.358 215 G HA2 -0.223 3.737 3.960 0.000 0.000 0.224 215 G HA3 -0.223 3.737 3.960 0.000 0.000 0.224 215 G C 0.641 175.545 174.900 0.008 0.000 1.073 215 G CA 0.739 45.843 45.100 0.006 0.000 0.635 215 G HN 1.483 nan 8.290 nan 0.000 0.509 216 V N -0.105 119.812 119.914 0.004 0.000 6.042 216 V HA 0.707 4.827 4.120 0.000 0.000 0.274 216 V C 2.329 178.424 176.094 0.002 0.000 1.560 216 V CA 0.636 62.939 62.300 0.005 0.000 0.633 216 V CB 0.305 32.130 31.823 0.004 0.000 1.429 216 V HN 1.123 nan 8.190 nan 0.000 0.386 217 V N -1.903 118.011 119.914 -0.001 0.000 0.456 217 V HA -0.363 3.757 4.120 0.000 0.000 0.092 217 V C 0.533 176.629 176.094 0.003 0.000 2.503 217 V CA 2.055 64.354 62.300 -0.002 0.000 3.694 217 V CB -1.871 29.949 31.823 -0.004 0.000 0.970 217 V HN 1.029 nan 8.190 nan 0.000 1.019 218 K N -0.535 119.868 120.400 0.005 0.000 7.314 218 K HA -0.171 4.149 4.320 0.000 0.000 0.694 218 K C 0.131 176.735 176.600 0.006 0.000 2.568 218 K CA 1.014 57.305 56.287 0.007 0.000 1.889 218 K CB -0.929 31.576 32.500 0.007 0.000 2.060 218 K HN 0.967 nan 8.250 nan 0.000 0.284 219 N N -2.242 116.462 118.700 0.007 0.000 2.989 219 N HA -0.113 4.627 4.740 0.000 0.000 0.247 219 N C -2.778 172.737 175.510 0.008 0.000 1.119 219 N CA 0.728 53.783 53.050 0.007 0.000 0.755 219 N CB -0.971 37.520 38.487 0.007 0.000 1.100 219 N HN 0.392 nan 8.380 nan 0.000 0.550 220 P HA 0.057 nan 4.420 nan 0.000 0.280 220 P C 0.795 178.101 177.300 0.011 0.000 1.278 220 P CA 0.058 63.165 63.100 0.012 0.000 0.787 220 P CB 0.386 32.094 31.700 0.014 0.000 1.163 221 K N -2.271 118.137 120.400 0.013 0.000 3.606 221 K HA -0.255 4.065 4.320 0.000 0.000 0.279 221 K C 1.256 177.860 176.600 0.008 0.000 1.137 221 K CA 1.152 57.443 56.287 0.008 0.000 1.058 221 K CB -0.571 31.932 32.500 0.005 0.000 1.343 221 K HN 0.266 nan 8.250 nan 0.000 0.462 222 R N -1.226 119.280 120.500 0.010 0.000 2.756 222 R HA 0.218 4.558 4.340 0.000 0.000 0.170 222 R C 1.355 177.661 176.300 0.011 0.000 0.800 222 R CA 0.857 56.964 56.100 0.011 0.000 1.052 222 R CB -0.763 29.543 30.300 0.011 0.000 1.437 222 R HN 0.088 nan 8.270 nan 0.000 0.607 223 N N 1.151 119.857 118.700 0.010 0.000 2.120 223 N HA -0.104 4.636 4.740 0.000 0.000 0.188 223 N C 1.886 177.401 175.510 0.008 0.000 1.024 223 N CA 1.215 54.270 53.050 0.008 0.000 0.852 223 N CB -0.388 38.102 38.487 0.006 0.000 1.003 223 N HN -0.089 nan 8.380 nan 0.000 0.424 224 V N 1.834 121.755 119.914 0.011 0.000 2.231 224 V HA -0.209 3.911 4.120 0.000 0.000 0.248 224 V C -0.660 175.445 176.094 0.019 0.000 1.054 224 V CA 2.000 64.309 62.300 0.015 0.000 1.015 224 V CB -1.574 30.266 31.823 0.028 0.000 0.638 224 V HN 0.268 nan 8.190 nan 0.000 0.444 225 P HA -0.110 nan 4.420 nan 0.000 0.216 225 P C 1.807 179.118 177.300 0.019 0.000 1.150 225 P CA 1.504 64.618 63.100 0.024 0.000 0.837 225 P CB -0.088 31.623 31.700 0.018 0.000 0.786 226 I N -0.795 119.784 120.570 0.014 0.000 2.226 226 I HA -0.250 3.920 4.170 0.000 0.000 0.245 226 I C 2.312 178.434 176.117 0.007 0.000 1.100 226 I CA 1.587 62.894 61.300 0.011 0.000 1.374 226 I CB -0.812 37.193 38.000 0.009 0.000 1.057 226 I HN -0.069 nan 8.210 nan 0.000 0.413 227 A N 0.192 123.015 122.820 0.005 0.000 1.872 227 A HA -0.156 4.164 4.320 0.000 0.000 0.214 227 A C 2.364 179.947 177.584 -0.001 0.000 1.187 227 A CA 2.073 54.109 52.037 -0.001 0.000 0.614 227 A CB -1.073 17.922 19.000 -0.008 0.000 0.826 227 A HN 0.318 nan 8.150 nan 0.000 0.442 228 T N 0.158 114.713 114.554 0.002 0.000 2.849 228 T HA -0.091 4.259 4.350 0.000 0.000 0.270 228 T C 1.603 176.310 174.700 0.011 0.000 1.066 228 T CA 1.328 63.431 62.100 0.005 0.000 1.130 228 T CB -0.213 68.671 68.868 0.026 0.000 0.864 228 T HN 0.278 nan 8.240 nan 0.000 0.481 229 I N 0.304 120.880 120.570 0.011 0.000 2.810 229 I HA 0.147 4.317 4.170 0.000 0.000 0.262 229 I C 2.751 178.868 176.117 0.000 0.000 1.131 229 I CA 0.808 62.111 61.300 0.005 0.000 1.453 229 I CB -1.455 36.551 38.000 0.009 0.000 1.161 229 I HN 0.249 nan 8.210 nan 0.000 0.444 230 G N 0.906 109.708 108.800 0.002 0.000 2.433 230 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 230 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 230 G C 1.696 176.596 174.900 0.001 0.000 1.186 230 G CA 0.882 45.982 45.100 0.000 0.000 0.779 230 G HN 0.440 nan 8.290 nan 0.000 0.543 231 G N 0.478 109.280 108.800 0.003 0.000 2.446 231 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 231 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 231 G C 1.818 176.729 174.900 0.018 0.000 1.168 231 G CA 1.457 46.561 45.100 0.006 0.000 0.771 231 G HN 0.337 nan 8.290 nan 0.000 0.551 232 V N 1.039 120.973 119.914 0.033 0.000 2.332 232 V HA -0.120 4.000 4.120 0.000 0.000 0.248 232 V C 2.712 178.831 176.094 0.041 0.000 1.055 232 V CA 1.284 63.626 62.300 0.069 0.000 1.038 232 V CB -0.533 31.297 31.823 0.011 0.000 0.651 232 V HN 0.279 nan 8.190 nan 0.000 0.450 233 L N -0.340 120.883 121.223 -0.001 0.000 2.079 233 L HA -0.161 4.179 4.340 0.000 0.000 0.210 233 L C 2.262 179.124 176.870 -0.013 0.000 1.081 233 L CA 2.118 56.951 54.840 -0.012 0.000 0.752 233 L CB -0.634 41.416 42.059 -0.015 0.000 0.896 233 L HN 0.298 nan 8.230 nan 0.000 0.433 234 I N -0.209 120.353 120.570 -0.014 0.000 2.113 234 I HA -0.269 3.901 4.170 0.000 0.000 0.238 234 I C 2.664 178.742 176.117 -0.065 0.000 1.070 234 I CA 1.279 62.564 61.300 -0.026 0.000 1.332 234 I CB -0.514 37.475 38.000 -0.017 0.000 1.044 234 I HN 0.221 nan 8.210 nan 0.000 0.402 235 A N 0.640 123.400 122.820 -0.099 0.000 2.019 235 A HA -0.128 4.192 4.320 0.000 0.000 0.219 235 A C 2.485 179.804 177.584 -0.442 0.000 1.164 235 A CA 1.722 53.575 52.037 -0.307 0.000 0.644 235 A CB -0.710 18.076 19.000 -0.357 0.000 0.805 235 A HN 0.472 nan 8.150 nan 0.000 0.449 236 A N -0.619 122.150 122.820 -0.084 0.000 1.898 236 A HA 0.012 4.332 4.320 0.000 0.000 0.216 236 A C 2.216 179.754 177.584 -0.077 0.000 1.181 236 A CA 1.764 53.826 52.037 0.042 0.000 0.620 236 A CB -0.807 18.239 19.000 0.076 0.000 0.819 236 A HN 0.362 nan 8.150 nan 0.000 0.442 237 V N -0.905 118.969 119.914 -0.068 0.000 2.379 237 V HA -0.263 3.857 4.120 0.000 0.000 0.245 237 V C 2.530 178.595 176.094 -0.049 0.000 1.044 237 V CA 1.880 64.148 62.300 -0.054 0.000 1.036 237 V CB -0.885 30.922 31.823 -0.028 0.000 0.664 237 V HN 0.694 nan 8.190 nan 0.000 0.453 238 C N -0.976 118.293 119.300 -0.052 0.000 2.422 238 C HA -0.126 4.334 4.460 0.000 0.000 0.286 238 C C 2.383 177.436 174.990 0.104 0.000 1.412 238 C CA 0.592 59.618 59.018 0.012 0.000 1.786 238 C CB -1.454 26.292 27.740 0.011 0.000 1.835 238 C HN 0.597 nan 8.230 nan 0.000 0.533 239 Y N -0.634 119.524 120.300 -0.236 0.000 2.205 239 Y HA -0.100 4.450 4.550 0.000 0.000 0.292 239 Y C 2.656 178.224 175.900 -0.553 0.000 1.119 239 Y CA 0.560 58.399 58.100 -0.434 0.000 1.117 239 Y CB -0.303 37.728 38.460 -0.716 0.000 1.037 239 Y HN 0.022 nan 8.280 nan 0.000 0.510 240 V N 0.970 120.634 119.914 -0.417 0.000 2.237 240 V HA -0.300 3.820 4.120 0.000 0.000 0.245 240 V C 1.573 177.606 176.094 -0.100 0.000 1.046 240 V CA 1.466 63.531 62.300 -0.392 0.000 1.007 240 V CB -0.592 31.070 31.823 -0.267 0.000 0.638 240 V HN 0.340 nan 8.190 nan 0.000 0.445 241 L N 0.118 121.338 121.223 -0.005 0.000 2.933 241 L HA 0.085 4.425 4.340 0.000 0.000 0.258 241 L C 1.421 178.355 176.870 0.106 0.000 1.253 241 L CA 0.651 55.587 54.840 0.161 0.000 1.096 241 L CB -0.368 41.783 42.059 0.154 0.000 1.432 241 L HN 0.379 nan 8.230 nan 0.000 0.418 242 S N -1.467 114.232 115.700 -0.002 0.000 3.718 242 S HA -0.086 4.384 4.470 0.000 0.000 0.238 242 S C 1.763 176.283 174.600 -0.134 0.000 1.136 242 S CA 0.554 58.710 58.200 -0.073 0.000 0.950 242 S CB -0.081 63.093 63.200 -0.043 0.000 1.096 242 S HN 0.485 nan 8.310 nan 0.000 0.467 243 T N 0.563 115.050 114.554 -0.113 0.000 3.007 243 T HA -0.036 4.314 4.350 0.000 0.000 0.270 243 T C 1.745 176.436 174.700 -0.015 0.000 1.107 243 T CA 2.083 64.141 62.100 -0.071 0.000 1.118 243 T CB -0.788 68.136 68.868 0.093 0.000 0.889 243 T HN 0.583 nan 8.240 nan 0.000 0.506 244 T N -1.401 113.157 114.554 0.006 0.000 3.023 244 T HA 0.493 4.843 4.350 0.000 0.000 0.249 244 T C 2.183 176.866 174.700 -0.028 0.000 1.050 244 T CA 0.393 62.529 62.100 0.060 0.000 1.088 244 T CB -0.422 68.540 68.868 0.157 0.000 0.946 244 T HN 0.389 nan 8.240 nan 0.000 0.480 245 A N 1.919 124.631 122.820 -0.181 0.000 2.216 245 A HA 0.368 4.688 4.320 0.000 0.000 0.214 245 A C 1.717 179.086 177.584 -0.360 0.000 1.160 245 A CA 0.844 52.527 52.037 -0.591 0.000 0.725 245 A CB -0.908 17.655 19.000 -0.728 0.000 0.784 245 A HN 0.926 nan 8.150 nan 0.000 0.472 246 I N -3.733 116.709 120.570 -0.212 0.000 3.176 246 I HA 0.507 4.677 4.170 0.000 0.000 0.339 246 I C -0.311 175.747 176.117 -0.098 0.000 1.505 246 I CA -0.463 60.747 61.300 -0.150 0.000 0.969 246 I CB 0.154 38.024 38.000 -0.216 0.000 1.636 246 I HN 0.207 nan 8.210 nan 0.000 0.523 247 M N -0.177 119.384 119.600 -0.064 0.000 3.568 247 M HA 0.492 4.972 4.480 0.000 0.000 0.361 247 M C -0.624 175.680 176.300 0.007 0.000 1.442 247 M CA -0.428 54.857 55.300 -0.024 0.000 0.646 247 M CB -0.554 32.032 32.600 -0.024 0.000 3.166 247 M HN 0.110 nan 8.290 nan 0.000 0.454 248 G N 1.789 110.596 108.800 0.012 0.000 2.509 248 G HA2 0.574 4.535 3.960 0.000 0.000 0.269 248 G HA3 0.574 4.535 3.960 0.000 0.000 0.269 248 G C 0.701 175.573 174.900 -0.046 0.000 1.416 248 G CA -0.223 44.873 45.100 -0.007 0.000 1.052 248 G HN 0.745 nan 8.290 nan 0.000 0.542 249 M N -1.021 118.551 119.600 -0.047 0.000 2.421 249 M HA 0.330 4.810 4.480 0.000 0.000 0.258 249 M C 1.944 178.243 176.300 -0.002 0.000 1.122 249 M CA 0.688 55.981 55.300 -0.011 0.000 1.078 249 M CB -0.908 31.691 32.600 -0.002 0.000 1.380 249 M HN 0.432 nan 8.290 nan 0.000 0.499 250 I N 2.655 123.225 120.570 -0.001 0.000 2.072 250 I HA -0.127 4.043 4.170 0.000 0.000 0.235 250 I C -0.480 175.660 176.117 0.037 0.000 1.058 250 I CA 1.418 62.734 61.300 0.028 0.000 1.320 250 I CB -1.934 36.107 38.000 0.068 0.000 1.047 250 I HN 0.232 nan 8.210 nan 0.000 0.397 251 P HA 0.169 nan 4.420 nan 0.000 0.248 251 P C -0.753 176.562 177.300 0.025 0.000 1.708 251 P CA -0.191 62.940 63.100 0.052 0.000 1.062 251 P CB -0.439 31.317 31.700 0.093 0.000 1.562 252 N N 1.081 119.790 118.700 0.015 0.000 2.412 252 N HA 0.210 4.950 4.740 0.000 0.000 0.254 252 N C 0.778 176.292 175.510 0.008 0.000 1.232 252 N CA 0.379 53.434 53.050 0.008 0.000 0.880 252 N CB 0.522 39.014 38.487 0.008 0.000 1.076 252 N HN 0.174 nan 8.380 nan 0.000 0.458 253 A N 1.475 124.298 122.820 0.004 0.000 3.538 253 A HA 0.714 5.034 4.320 0.000 0.000 0.174 253 A C 0.807 178.389 177.584 -0.003 0.000 1.733 253 A CA 0.147 52.185 52.037 0.001 0.000 0.888 253 A CB -0.496 18.504 19.000 -0.001 0.000 1.804 253 A HN 0.579 nan 8.150 nan 0.000 0.626 254 A N -1.188 121.627 122.820 -0.008 0.000 2.265 254 A HA 0.399 4.719 4.320 0.000 0.000 0.213 254 A C 1.092 178.668 177.584 -0.014 0.000 1.255 254 A CA 0.478 52.506 52.037 -0.015 0.000 0.862 254 A CB -0.688 18.300 19.000 -0.019 0.000 0.852 254 A HN 0.558 nan 8.150 nan 0.000 0.484 255 L N -2.151 119.068 121.223 -0.008 0.000 2.920 255 L HA 0.196 4.536 4.340 0.000 0.000 0.257 255 L C 2.065 178.935 176.870 -0.000 0.000 1.150 255 L CA -0.022 54.815 54.840 -0.006 0.000 0.959 255 L CB 0.162 42.218 42.059 -0.005 0.000 1.321 255 L HN 0.209 nan 8.230 nan 0.000 0.555 256 R N -0.390 120.112 120.500 0.004 0.000 2.087 256 R HA 0.070 4.410 4.340 0.000 0.000 0.216 256 R C 1.963 178.274 176.300 0.019 0.000 1.114 256 R CA 1.308 57.414 56.100 0.011 0.000 1.002 256 R CB -0.469 29.839 30.300 0.014 0.000 0.903 256 R HN 0.202 nan 8.270 nan 0.000 0.445 257 V N -0.611 119.315 119.914 0.019 0.000 2.719 257 V HA 0.004 4.124 4.120 0.000 0.000 0.252 257 V C 2.162 178.260 176.094 0.006 0.000 1.065 257 V CA 1.482 63.799 62.300 0.029 0.000 1.086 257 V CB -0.699 31.134 31.823 0.016 0.000 0.700 257 V HN 0.158 nan 8.190 nan 0.000 0.467 258 S N 0.230 115.924 115.700 -0.009 0.000 2.528 258 S HA -0.005 4.465 4.470 0.000 0.000 0.244 258 S C 1.686 176.286 174.600 -0.001 0.000 0.982 258 S CA 1.358 59.547 58.200 -0.018 0.000 0.953 258 S CB -0.192 62.995 63.200 -0.021 0.000 0.754 258 S HN 0.773 nan 8.310 nan 0.000 0.529 259 A N 0.479 123.307 122.820 0.013 0.000 1.993 259 A HA 0.419 4.739 4.320 0.000 0.000 0.202 259 A C 1.013 178.620 177.584 0.038 0.000 1.461 259 A CA 0.462 52.512 52.037 0.022 0.000 0.824 259 A CB -0.339 18.669 19.000 0.015 0.000 1.024 259 A HN 0.600 nan 8.150 nan 0.000 0.507 260 S N 0.580 116.302 115.700 0.037 0.000 2.554 260 S HA 0.519 4.989 4.470 0.000 0.000 0.278 260 S C -2.812 171.837 174.600 0.083 0.000 1.242 260 S CA -1.311 56.914 58.200 0.041 0.000 1.051 260 S CB 0.822 64.033 63.200 0.017 0.000 0.986 260 S HN 0.091 nan 8.310 nan 0.000 0.502 261 P HA 0.186 nan 4.420 nan 0.000 0.232 261 P C 0.434 177.854 177.300 0.199 0.000 1.738 261 P CA -0.301 62.916 63.100 0.194 0.000 0.948 261 P CB -0.859 30.931 31.700 0.151 0.000 1.943 262 F N 1.580 121.537 119.950 0.011 0.000 3.343 262 F HA -0.457 4.070 4.527 0.000 0.000 0.271 262 F C 2.016 177.816 175.800 -0.000 0.000 1.485 262 F CA 2.620 60.620 58.000 -0.001 0.000 1.690 262 F CB -1.567 37.434 39.000 0.000 0.000 0.580 262 F HN 0.453 nan 8.300 nan 0.000 0.420 263 G N -0.059 108.382 108.800 -0.599 0.000 3.099 263 G HA2 -0.488 3.472 3.960 0.000 0.000 0.331 263 G HA3 -0.488 3.472 3.960 0.000 0.000 0.331 263 G C 0.985 175.494 174.900 -0.653 0.000 1.216 263 G CA 0.845 45.643 45.100 -0.502 0.000 0.977 263 G HN 1.200 nan 8.290 nan 0.000 0.600 264 D N 2.232 122.417 120.400 -0.360 0.000 2.310 264 D HA 0.175 4.815 4.640 0.000 0.000 0.212 264 D C 2.527 178.657 176.300 -0.283 0.000 0.965 264 D CA 1.340 55.191 54.000 -0.249 0.000 0.879 264 D CB -0.394 40.341 40.800 -0.109 0.000 0.921 264 D HN 0.662 nan 8.370 nan 0.000 0.510 265 A N 0.186 122.781 122.820 -0.375 0.000 2.248 265 A HA 0.167 4.487 4.320 0.000 0.000 0.210 265 A C 2.014 179.470 177.584 -0.214 0.000 1.174 265 A CA 1.063 52.966 52.037 -0.222 0.000 0.750 265 A CB -0.213 18.746 19.000 -0.068 0.000 0.780 265 A HN 0.280 nan 8.150 nan 0.000 0.478 266 A N -0.240 122.324 122.820 -0.427 0.000 2.147 266 A HA 0.110 4.430 4.320 0.000 0.000 0.211 266 A C 2.023 179.555 177.584 -0.087 0.000 1.160 266 A CA 0.465 52.396 52.037 -0.177 0.000 0.781 266 A CB -0.119 18.740 19.000 -0.234 0.000 0.842 266 A HN 0.526 nan 8.150 nan 0.000 0.475 267 R N -0.902 119.528 120.500 -0.117 0.000 2.246 267 R HA 0.179 4.519 4.340 0.000 0.000 0.199 267 R C 2.009 178.284 176.300 -0.043 0.000 0.984 267 R CA 0.650 56.708 56.100 -0.069 0.000 1.015 267 R CB -0.278 29.978 30.300 -0.073 0.000 0.930 267 R HN 0.461 nan 8.270 nan 0.000 0.475 268 M N 1.391 120.966 119.600 -0.042 0.000 2.080 268 M HA -0.077 4.403 4.480 0.000 0.000 0.260 268 M C 1.217 177.510 176.300 -0.012 0.000 1.068 268 M CA 1.591 56.877 55.300 -0.024 0.000 1.109 268 M CB -0.227 32.361 32.600 -0.019 0.000 1.342 268 M HN 0.177 nan 8.290 nan 0.000 0.405 269 A N 0.562 123.379 122.820 -0.005 0.000 2.495 269 A HA 0.310 4.630 4.320 0.000 0.000 0.260 269 A C 0.324 177.907 177.584 -0.002 0.000 1.608 269 A CA -0.614 51.423 52.037 0.001 0.000 0.834 269 A CB -0.695 18.309 19.000 0.007 0.000 1.526 269 A HN 0.490 nan 8.150 nan 0.000 0.578 270 L N 1.188 122.412 121.223 0.001 0.000 2.841 270 L HA 0.029 4.369 4.340 0.000 0.000 0.282 270 L C 1.323 178.193 176.870 -0.001 0.000 1.130 270 L CA 0.751 55.593 54.840 0.002 0.000 0.996 270 L CB -1.800 40.263 42.059 0.007 0.000 1.364 270 L HN 1.048 nan 8.230 nan 0.000 0.466 271 G N 3.825 112.624 108.800 -0.002 0.000 2.561 271 G HA2 -0.253 3.707 3.960 0.000 0.000 0.214 271 G HA3 -0.253 3.707 3.960 0.000 0.000 0.214 271 G C -0.325 174.569 174.900 -0.010 0.000 0.124 271 G CA 0.261 45.358 45.100 -0.005 0.000 1.129 271 G HN 0.925 nan 8.290 nan 0.000 0.532 272 D N 0.715 121.105 120.400 -0.016 0.000 2.219 272 D HA 0.343 4.983 4.640 0.000 0.000 0.191 272 D C 0.105 176.389 176.300 -0.026 0.000 1.272 272 D CA -0.298 53.688 54.000 -0.024 0.000 0.873 272 D CB 0.563 41.345 40.800 -0.030 0.000 1.730 272 D HN 0.402 nan 8.370 nan 0.000 0.519 273 T N 1.711 116.251 114.554 -0.024 0.000 2.897 273 T HA 0.633 4.983 4.350 0.000 0.000 0.294 273 T C 0.637 175.327 174.700 -0.017 0.000 1.004 273 T CA -0.414 61.675 62.100 -0.019 0.000 1.106 273 T CB 1.416 70.275 68.868 -0.014 0.000 0.949 273 T HN 0.461 nan 8.240 nan 0.000 0.520 274 A N 2.335 125.150 122.820 -0.008 0.000 2.448 274 A HA 0.597 4.917 4.320 0.000 0.000 0.239 274 A C 1.047 178.645 177.584 0.023 0.000 1.080 274 A CA -0.105 51.938 52.037 0.011 0.000 0.779 274 A CB -0.259 18.745 19.000 0.007 0.000 1.026 274 A HN 0.967 nan 8.150 nan 0.000 0.499 275 G N -0.936 107.906 108.800 0.070 0.000 2.510 275 G HA2 0.547 4.507 3.960 0.000 0.000 0.280 275 G HA3 0.547 4.507 3.960 0.000 0.000 0.280 275 G C 0.243 175.239 174.900 0.160 0.000 1.386 275 G CA -0.016 45.178 45.100 0.157 0.000 1.047 275 G HN 1.562 nan 8.290 nan 0.000 0.527 276 A N -0.404 122.602 122.820 0.310 0.000 2.376 276 A HA 0.418 4.738 4.320 0.000 0.000 0.298 276 A C 0.917 178.360 177.584 -0.236 0.000 1.271 276 A CA -0.456 51.604 52.037 0.038 0.000 0.926 276 A CB 0.071 19.097 19.000 0.044 0.000 1.141 276 A HN 0.643 nan 8.150 nan 0.000 0.539 277 I N 3.389 123.787 120.570 -0.286 0.000 3.564 277 I HA -0.042 4.128 4.170 0.000 0.000 0.294 277 I C 1.105 177.110 176.117 -0.186 0.000 1.289 277 I CA 0.429 61.441 61.300 -0.480 0.000 1.325 277 I CB 0.237 37.977 38.000 -0.433 0.000 1.039 277 I HN 0.479 nan 8.210 nan 0.000 0.474 278 V N -0.075 119.763 119.914 -0.126 0.000 2.323 278 V HA -0.228 3.892 4.120 0.000 0.000 0.244 278 V C 2.375 178.481 176.094 0.019 0.000 1.041 278 V CA 2.041 64.318 62.300 -0.039 0.000 1.025 278 V CB -0.312 31.471 31.823 -0.067 0.000 0.656 278 V HN 0.500 nan 8.190 nan 0.000 0.451 279 S N -0.977 114.691 115.700 -0.054 0.000 2.507 279 S HA -0.110 4.360 4.470 0.000 0.000 0.235 279 S C 1.749 176.364 174.600 0.025 0.000 0.988 279 S CA 0.887 59.084 58.200 -0.006 0.000 0.944 279 S CB -0.428 62.679 63.200 -0.155 0.000 0.762 279 S HN 0.461 nan 8.310 nan 0.000 0.526 280 F N 1.611 121.403 119.950 -0.262 0.000 2.084 280 F HA -0.052 4.475 4.527 0.000 0.000 0.296 280 F C 2.761 178.522 175.800 -0.064 0.000 1.111 280 F CA 1.198 59.086 58.000 -0.185 0.000 1.224 280 F CB -0.878 38.019 39.000 -0.172 0.000 0.991 280 F HN 0.533 nan 8.300 nan 0.000 0.471 281 C N -1.899 117.496 119.300 0.158 0.000 2.611 281 C HA 0.557 5.017 4.460 0.000 0.000 0.282 281 C C 2.688 177.721 174.990 0.072 0.000 1.321 281 C CA 0.030 59.106 59.018 0.096 0.000 1.747 281 C CB -1.193 26.602 27.740 0.093 0.000 2.124 281 C HN 0.317 nan 8.230 nan 0.000 0.531 282 A N 1.150 124.033 122.820 0.104 0.000 2.178 282 A HA 0.339 4.659 4.320 0.000 0.000 0.218 282 A C 2.320 179.891 177.584 -0.020 0.000 1.157 282 A CA 1.730 53.827 52.037 0.100 0.000 0.689 282 A CB -0.685 18.454 19.000 0.232 0.000 0.787 282 A HN 0.888 nan 8.150 nan 0.000 0.465 283 A N -0.695 122.143 122.820 0.030 0.000 1.984 283 A HA 0.441 4.761 4.320 0.000 0.000 0.214 283 A C 2.328 179.875 177.584 -0.062 0.000 1.173 283 A CA 1.244 53.251 52.037 -0.051 0.000 0.673 283 A CB -0.581 18.469 19.000 0.083 0.000 0.830 283 A HN 0.835 nan 8.150 nan 0.000 0.453 284 A N -0.329 122.482 122.820 -0.015 0.000 1.930 284 A HA 0.241 4.562 4.320 0.000 0.000 0.215 284 A C 2.253 179.832 177.584 -0.009 0.000 1.176 284 A CA 1.491 53.532 52.037 0.007 0.000 0.632 284 A CB -1.146 17.872 19.000 0.030 0.000 0.819 284 A HN 0.686 nan 8.150 nan 0.000 0.445 285 G N -1.528 107.262 108.800 -0.018 0.000 2.559 285 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 285 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 285 G C 1.429 176.297 174.900 -0.055 0.000 1.126 285 G CA 1.193 46.283 45.100 -0.017 0.000 0.778 285 G HN 0.564 nan 8.290 nan 0.000 0.543 286 C N -0.562 118.671 119.300 -0.113 0.000 2.611 286 C HA 0.431 4.891 4.460 0.000 0.000 0.282 286 C C 2.576 177.475 174.990 -0.152 0.000 1.321 286 C CA -0.076 58.849 59.018 -0.155 0.000 1.747 286 C CB -0.703 26.871 27.740 -0.277 0.000 2.124 286 C HN 0.355 nan 8.230 nan 0.000 0.531 287 L N 0.628 121.775 121.223 -0.127 0.000 2.307 287 L HA 0.193 4.533 4.340 0.000 0.000 0.211 287 L C 2.735 179.381 176.870 -0.373 0.000 1.099 287 L CA 1.303 56.045 54.840 -0.164 0.000 0.816 287 L CB -0.847 41.235 42.059 0.039 0.000 0.952 287 L HN 0.517 nan 8.230 nan 0.000 0.455 288 G N 0.319 109.013 108.800 -0.176 0.000 2.418 288 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 288 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 288 G C 1.807 176.581 174.900 -0.210 0.000 1.158 288 G CA 1.030 46.041 45.100 -0.150 0.000 0.771 288 G HN 0.478 nan 8.290 nan 0.000 0.545 289 S N 0.778 116.407 115.700 -0.118 0.000 2.399 289 S HA -0.040 4.430 4.470 0.000 0.000 0.231 289 S C 2.349 176.950 174.600 0.002 0.000 1.022 289 S CA 1.106 59.322 58.200 0.026 0.000 0.983 289 S CB -0.432 62.852 63.200 0.140 0.000 0.803 289 S HN 0.324 nan 8.310 nan 0.000 0.480 290 L N 1.429 122.497 121.223 -0.258 0.000 2.021 290 L HA -0.101 4.239 4.340 0.000 0.000 0.215 290 L C 3.045 179.775 176.870 -0.234 0.000 1.074 290 L CA 1.555 56.212 54.840 -0.304 0.000 0.760 290 L CB -1.543 40.181 42.059 -0.559 0.000 0.889 290 L HN 0.548 nan 8.230 nan 0.000 0.433 291 G N -0.432 108.123 108.800 -0.408 0.000 2.421 291 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 291 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 291 G C 1.586 176.494 174.900 0.013 0.000 1.171 291 G CA 0.724 45.791 45.100 -0.056 0.000 0.775 291 G HN 0.491 nan 8.290 nan 0.000 0.543 292 G N -0.194 108.594 108.800 -0.021 0.000 2.418 292 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 292 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 292 G C 1.577 176.420 174.900 -0.095 0.000 1.158 292 G CA 0.694 45.756 45.100 -0.064 0.000 0.771 292 G HN 0.488 nan 8.290 nan 0.000 0.545 293 W N 1.461 122.724 121.300 -0.061 0.000 2.519 293 W HA 0.060 4.720 4.660 0.000 0.000 0.266 293 W C 3.030 179.527 176.519 -0.037 0.000 1.253 293 W CA 1.596 58.907 57.345 -0.058 0.000 1.274 293 W CB -0.037 29.363 29.460 -0.100 0.000 1.114 293 W HN 0.253 nan 8.180 nan 0.000 0.596 294 T N -1.732 112.919 114.554 0.160 0.000 2.896 294 T HA -0.156 4.194 4.350 0.000 0.000 0.263 294 T C 1.786 176.551 174.700 0.108 0.000 1.050 294 T CA 0.973 63.143 62.100 0.117 0.000 1.140 294 T CB -0.850 68.061 68.868 0.072 0.000 0.877 294 T HN 0.026 nan 8.240 nan 0.000 0.457 295 L N 1.460 122.727 121.223 0.072 0.000 2.043 295 L HA -0.004 4.336 4.340 0.000 0.000 0.212 295 L C 2.249 179.153 176.870 0.057 0.000 1.075 295 L CA 1.642 56.514 54.840 0.054 0.000 0.752 295 L CB -0.875 41.194 42.059 0.016 0.000 0.891 295 L HN 0.298 nan 8.230 nan 0.000 0.432 296 L N -0.788 120.454 121.223 0.033 0.000 2.056 296 L HA -0.116 4.224 4.340 0.000 0.000 0.207 296 L C 2.691 179.671 176.870 0.184 0.000 1.078 296 L CA 1.094 55.970 54.840 0.060 0.000 0.749 296 L CB -1.197 40.843 42.059 -0.031 0.000 0.901 296 L HN 0.388 nan 8.230 nan 0.000 0.433 297 A N 0.595 123.546 122.820 0.219 0.000 1.972 297 A HA -0.086 4.234 4.320 0.000 0.000 0.219 297 A C 2.380 180.215 177.584 0.418 0.000 1.169 297 A CA 1.680 53.928 52.037 0.351 0.000 0.635 297 A CB -0.978 18.173 19.000 0.252 0.000 0.810 297 A HN 0.447 nan 8.150 nan 0.000 0.446 298 G N -1.611 107.349 108.800 0.267 0.000 2.408 298 G HA2 -0.096 3.864 3.960 0.000 0.000 0.215 298 G HA3 -0.096 3.864 3.960 0.000 0.000 0.215 298 G C 1.613 176.604 174.900 0.151 0.000 1.156 298 G CA 0.683 45.923 45.100 0.234 0.000 0.793 298 G HN 0.410 nan 8.290 nan 0.000 0.535 299 Q N 0.200 120.064 119.800 0.107 0.000 1.990 299 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 299 Q C 2.772 178.771 176.000 -0.002 0.000 0.980 299 Q CA 1.837 57.669 55.803 0.048 0.000 0.832 299 Q CB -1.158 27.595 28.738 0.025 0.000 0.897 299 Q HN 0.467 nan 8.270 nan 0.000 0.427 300 T N 0.693 115.244 114.554 -0.004 0.000 2.699 300 T HA -0.183 4.167 4.350 0.000 0.000 0.268 300 T C 1.808 176.309 174.700 -0.332 0.000 1.036 300 T CA 1.884 63.902 62.100 -0.136 0.000 1.147 300 T CB -0.167 68.685 68.868 -0.026 0.000 0.862 300 T HN 0.353 nan 8.240 nan 0.000 0.446 301 A N 1.456 124.113 122.820 -0.273 0.000 1.865 301 A HA -0.096 4.224 4.320 0.000 0.000 0.217 301 A C 2.316 179.846 177.584 -0.089 0.000 1.191 301 A CA 2.298 54.082 52.037 -0.422 0.000 0.623 301 A CB -0.869 17.918 19.000 -0.355 0.000 0.826 301 A HN 0.676 nan 8.150 nan 0.000 0.444 302 K N -0.383 120.029 120.400 0.020 0.000 1.978 302 K HA -0.165 4.155 4.320 0.000 0.000 0.214 302 K C 2.212 178.819 176.600 0.012 0.000 1.049 302 K CA 1.633 57.962 56.287 0.070 0.000 0.939 302 K CB -0.535 32.009 32.500 0.073 0.000 0.721 302 K HN 0.324 nan 8.250 nan 0.000 0.441 303 A N 1.124 123.922 122.820 -0.036 0.000 1.894 303 A HA -0.309 4.011 4.320 0.000 0.000 0.220 303 A C 2.411 179.974 177.584 -0.034 0.000 1.237 303 A CA 2.986 55.019 52.037 -0.008 0.000 0.660 303 A CB -1.394 17.609 19.000 0.005 0.000 0.835 303 A HN 0.641 nan 8.150 nan 0.000 0.461 304 A N -0.625 121.944 122.820 -0.418 0.000 1.865 304 A HA 0.105 4.425 4.320 0.000 0.000 0.217 304 A C 2.612 180.215 177.584 0.031 0.000 1.191 304 A CA 2.790 54.549 52.037 -0.462 0.000 0.623 304 A CB -1.344 17.182 19.000 -0.790 0.000 0.826 304 A HN 1.425 nan 8.150 nan 0.000 0.444 305 A N 0.085 122.965 122.820 0.100 0.000 1.927 305 A HA -0.292 4.028 4.320 0.000 0.000 0.220 305 A C 1.721 179.383 177.584 0.131 0.000 1.185 305 A CA 2.325 54.467 52.037 0.176 0.000 0.639 305 A CB -0.918 18.205 19.000 0.206 0.000 0.820 305 A HN 0.500 nan 8.150 nan 0.000 0.451 306 D N 0.494 120.958 120.400 0.106 0.000 2.158 306 D HA -0.070 4.570 4.640 0.000 0.000 0.197 306 D C 0.495 176.860 176.300 0.108 0.000 0.995 306 D CA 1.207 55.263 54.000 0.094 0.000 0.846 306 D CB -0.231 40.618 40.800 0.083 0.000 0.941 306 D HN 0.487 nan 8.370 nan 0.000 0.456 307 D N -1.317 119.174 120.400 0.151 0.000 2.478 307 D HA 0.222 4.862 4.640 0.000 0.000 0.269 307 D C 1.535 177.943 176.300 0.180 0.000 1.232 307 D CA -0.194 53.904 54.000 0.163 0.000 1.059 307 D CB 0.291 41.222 40.800 0.218 0.000 1.104 307 D HN 0.048 nan 8.370 nan 0.000 0.566 308 G N -0.462 108.448 108.800 0.183 0.000 2.916 308 G HA2 0.109 4.069 3.960 0.000 0.000 0.205 308 G HA3 0.109 4.069 3.960 0.000 0.000 0.205 308 G C 0.357 175.483 174.900 0.377 0.000 1.163 308 G CA 0.371 45.597 45.100 0.210 0.000 0.821 308 G HN 0.187 nan 8.290 nan 0.000 0.515 309 L N -1.243 120.206 121.223 0.378 0.000 2.346 309 L HA 0.652 4.992 4.340 0.000 0.000 0.274 309 L C -0.252 176.906 176.870 0.479 0.000 1.007 309 L CA -1.222 53.908 54.840 0.482 0.000 0.818 309 L CB 1.652 43.950 42.059 0.399 0.000 1.284 309 L HN 0.116 nan 8.230 nan 0.000 0.424 310 F N 1.708 121.873 119.950 0.358 0.000 2.114 310 F HA -0.179 4.348 4.527 0.000 0.000 0.482 310 F C -2.159 173.729 175.800 0.146 0.000 1.246 310 F CA -1.175 56.919 58.000 0.157 0.000 1.550 310 F CB -0.197 38.718 39.000 -0.142 0.000 2.476 310 F HN 0.332 nan 8.300 nan 0.000 0.725 311 P HA -0.107 nan 4.420 nan 0.000 0.263 311 P C -1.827 175.493 177.300 0.034 0.000 1.162 311 P CA -0.394 62.654 63.100 -0.087 0.000 0.758 311 P CB 0.234 31.858 31.700 -0.127 0.000 0.773 312 P HA -0.141 nan 4.420 nan 0.000 0.220 312 P C 1.183 178.463 177.300 -0.033 0.000 1.148 312 P CA 1.246 64.350 63.100 0.007 0.000 0.803 312 P CB -0.152 31.533 31.700 -0.025 0.000 0.782 313 I N -0.726 119.750 120.570 -0.156 0.000 2.315 313 I HA -0.216 3.954 4.170 0.000 0.000 0.251 313 I C 1.913 177.845 176.117 -0.309 0.000 1.125 313 I CA 1.481 62.605 61.300 -0.293 0.000 1.392 313 I CB -1.526 36.184 38.000 -0.483 0.000 1.065 313 I HN -0.185 nan 8.210 nan 0.000 0.424 314 F N 0.889 120.775 119.950 -0.107 0.000 2.802 314 F HA 0.258 4.785 4.527 0.000 0.000 0.302 314 F C 1.154 176.949 175.800 -0.009 0.000 1.211 314 F CA 0.138 58.108 58.000 -0.052 0.000 1.431 314 F CB -0.546 38.424 39.000 -0.049 0.000 1.114 314 F HN -0.037 nan 8.300 nan 0.000 0.567 315 A N 0.557 123.435 122.820 0.097 0.000 2.409 315 A HA 0.837 5.157 4.320 0.000 0.000 0.300 315 A C -0.161 177.440 177.584 0.028 0.000 1.273 315 A CA -0.481 51.600 52.037 0.073 0.000 0.774 315 A CB 0.606 19.651 19.000 0.075 0.000 1.144 315 A HN 0.252 nan 8.150 nan 0.000 0.472 322 T N 1.029 115.595 114.554 0.021 0.000 3.313 322 T HA 0.343 4.693 4.350 0.000 0.000 0.266 322 T C -1.486 173.231 174.700 0.028 0.000 0.987 322 T CA 0.851 62.964 62.100 0.022 0.000 1.086 322 T CB -0.146 68.734 68.868 0.020 0.000 1.159 322 T HN 0.339 nan 8.240 nan 0.000 0.450 323 P HA 0.439 nan 4.420 nan 0.000 0.333 323 P C -0.924 176.403 177.300 0.046 0.000 1.343 323 P CA -0.399 62.725 63.100 0.041 0.000 0.761 323 P CB 0.249 31.975 31.700 0.043 0.000 1.701 324 V N -0.817 119.133 119.914 0.059 0.000 2.547 324 V HA 0.490 4.610 4.120 0.000 0.000 0.299 324 V C 0.849 176.975 176.094 0.052 0.000 1.040 324 V CA -0.074 62.266 62.300 0.066 0.000 0.913 324 V CB 0.904 32.792 31.823 0.108 0.000 0.992 324 V HN 0.631 nan 8.190 nan 0.000 0.449 325 A N 2.826 125.663 122.820 0.028 0.000 2.169 325 A HA 0.288 4.608 4.320 0.000 0.000 0.210 325 A C 1.981 179.556 177.584 -0.014 0.000 1.168 325 A CA 0.868 52.912 52.037 0.011 0.000 0.813 325 A CB -0.261 18.736 19.000 -0.004 0.000 0.861 325 A HN 1.035 nan 8.150 nan 0.000 0.481 326 G N -0.370 108.409 108.800 -0.036 0.000 2.776 326 G HA2 -0.038 3.922 3.960 0.000 0.000 0.209 326 G HA3 -0.038 3.922 3.960 0.000 0.000 0.209 326 G C 1.272 176.203 174.900 0.051 0.000 1.145 326 G CA 0.558 45.589 45.100 -0.115 0.000 0.791 326 G HN 0.435 nan 8.290 nan 0.000 0.530 327 L N -0.033 121.242 121.223 0.087 0.000 2.265 327 L HA 0.017 4.357 4.340 0.000 0.000 0.215 327 L C 2.592 179.470 176.870 0.014 0.000 1.117 327 L CA 0.580 55.479 54.840 0.097 0.000 0.782 327 L CB -0.017 42.089 42.059 0.077 0.000 0.914 327 L HN 0.257 nan 8.230 nan 0.000 0.441 328 L N -0.834 120.388 121.223 -0.001 0.000 2.109 328 L HA -0.201 4.139 4.340 0.000 0.000 0.207 328 L C 2.358 179.182 176.870 -0.076 0.000 1.086 328 L CA 0.986 55.808 54.840 -0.030 0.000 0.760 328 L CB -0.471 41.634 42.059 0.076 0.000 0.910 328 L HN 0.251 nan 8.230 nan 0.000 0.437 329 I N -0.664 119.882 120.570 -0.039 0.000 2.335 329 I HA -0.236 3.934 4.170 0.000 0.000 0.251 329 I C 2.460 178.512 176.117 -0.109 0.000 1.129 329 I CA 0.866 62.142 61.300 -0.040 0.000 1.402 329 I CB -0.479 37.510 38.000 -0.019 0.000 1.069 329 I HN 0.049 nan 8.210 nan 0.000 0.424 330 V N 1.416 121.279 119.914 -0.085 0.000 2.358 330 V HA -0.177 3.943 4.120 0.000 0.000 0.246 330 V C 2.668 178.515 176.094 -0.412 0.000 1.047 330 V CA 2.199 64.338 62.300 -0.270 0.000 1.035 330 V CB -1.286 30.492 31.823 -0.075 0.000 0.658 330 V HN 0.563 nan 8.190 nan 0.000 0.452 331 G N -0.430 108.087 108.800 -0.473 0.000 2.408 331 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 331 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 331 G C 1.660 176.153 174.900 -0.679 0.000 1.150 331 G CA 1.135 45.702 45.100 -0.889 0.000 0.776 331 G HN 0.374 nan 8.290 nan 0.000 0.542 332 V N 0.801 120.533 119.914 -0.303 0.000 2.307 332 V HA -0.088 4.032 4.120 0.000 0.000 0.245 332 V C 2.891 178.921 176.094 -0.106 0.000 1.045 332 V CA 1.326 63.632 62.300 0.010 0.000 1.024 332 V CB -0.360 31.503 31.823 0.067 0.000 0.651 332 V HN 0.331 nan 8.190 nan 0.000 0.449 333 L N -1.200 119.836 121.223 -0.311 0.000 2.056 333 L HA -0.185 4.156 4.340 0.000 0.000 0.207 333 L C 2.504 179.145 176.870 -0.382 0.000 1.078 333 L CA 1.584 56.122 54.840 -0.504 0.000 0.749 333 L CB -0.413 40.939 42.059 -1.178 0.000 0.901 333 L HN 0.308 nan 8.230 nan 0.000 0.433 334 M N -0.650 118.745 119.600 -0.343 0.000 2.446 334 M HA -0.154 4.326 4.480 0.000 0.000 0.263 334 M C 2.099 178.371 176.300 -0.048 0.000 1.066 334 M CA 1.993 57.228 55.300 -0.110 0.000 1.087 334 M CB -0.430 32.073 32.600 -0.161 0.000 1.406 334 M HN 0.486 nan 8.290 nan 0.000 0.459 335 T N -2.443 112.065 114.554 -0.077 0.000 3.046 335 T HA 0.146 4.497 4.350 0.000 0.000 0.242 335 T C 1.615 176.218 174.700 -0.163 0.000 1.018 335 T CA 0.082 62.094 62.100 -0.145 0.000 1.131 335 T CB -0.482 68.352 68.868 -0.057 0.000 0.904 335 T HN 0.278 nan 8.240 nan 0.000 0.459 336 I N 0.218 120.804 120.570 0.026 0.000 2.315 336 I HA -0.122 4.048 4.170 0.000 0.000 0.251 336 I C 2.055 178.336 176.117 0.273 0.000 1.125 336 I CA 1.723 63.119 61.300 0.160 0.000 1.392 336 I CB -0.427 37.711 38.000 0.229 0.000 1.065 336 I HN 0.189 nan 8.210 nan 0.000 0.424 337 F N -0.015 119.950 119.950 0.024 0.000 2.387 337 F HA -0.117 4.410 4.527 0.000 0.000 0.294 337 F C 2.659 178.485 175.800 0.044 0.000 1.093 337 F CA 0.275 58.319 58.000 0.073 0.000 1.420 337 F CB -0.008 39.085 39.000 0.154 0.000 1.086 337 F HN -0.013 nan 8.300 nan 0.000 0.531 338 Q N 0.289 120.181 119.800 0.153 0.000 2.170 338 Q HA -0.183 4.157 4.340 0.000 0.000 0.203 338 Q C 1.695 177.800 176.000 0.175 0.000 0.976 338 Q CA 1.912 57.758 55.803 0.073 0.000 0.858 338 Q CB -0.416 28.289 28.738 -0.054 0.000 0.907 338 Q HN 0.290 nan 8.270 nan 0.000 0.433 339 F N -0.673 119.329 119.950 0.088 0.000 2.219 339 F HA 0.133 4.660 4.527 0.000 0.000 0.294 339 F C 2.093 177.897 175.800 0.005 0.000 1.086 339 F CA 0.772 58.800 58.000 0.045 0.000 1.330 339 F CB -0.765 38.266 39.000 0.050 0.000 1.047 339 F HN -0.091 nan 8.300 nan 0.000 0.495 340 S N -0.337 115.465 115.700 0.168 0.000 2.720 340 S HA -0.033 4.437 4.470 0.000 0.000 0.222 340 S C 1.554 176.145 174.600 -0.015 0.000 0.958 340 S CA 0.799 59.010 58.200 0.018 0.000 0.943 340 S CB -0.589 62.542 63.200 -0.115 0.000 0.779 340 S HN 0.403 nan 8.310 nan 0.000 0.526 341 S N -1.127 114.601 115.700 0.045 0.000 2.733 341 S HA 0.355 4.825 4.470 0.000 0.000 0.247 341 S C 1.034 175.656 174.600 0.036 0.000 1.043 341 S CA -0.411 57.803 58.200 0.023 0.000 1.066 341 S CB 0.186 63.407 63.200 0.037 0.000 1.045 341 S HN 0.189 nan 8.310 nan 0.000 0.586 342 M N 1.218 120.858 119.600 0.067 0.000 3.103 342 M HA 0.394 4.874 4.480 0.000 0.000 0.208 342 M C 1.974 178.288 176.300 0.024 0.000 1.849 342 M CA 0.799 56.132 55.300 0.055 0.000 1.378 342 M CB -1.313 31.348 32.600 0.102 0.000 1.142 342 M HN 0.258 nan 8.290 nan 0.000 0.600 343 S N 1.722 117.433 115.700 0.019 0.000 2.349 343 S HA 0.006 4.476 4.470 0.000 0.000 0.216 343 S C -1.738 172.847 174.600 -0.025 0.000 1.033 343 S CA 0.833 59.017 58.200 -0.026 0.000 1.021 343 S CB -1.848 61.303 63.200 -0.080 0.000 0.968 343 S HN 0.380 nan 8.310 nan 0.000 0.426 344 P HA 0.263 nan 4.420 nan 0.000 0.276 344 P C -1.269 176.017 177.300 -0.022 0.000 1.253 344 P CA -0.021 63.065 63.100 -0.024 0.000 0.766 344 P CB 0.130 31.816 31.700 -0.023 0.000 0.845 345 N N 2.504 121.189 118.700 -0.024 0.000 3.245 345 N HA 0.399 5.139 4.740 0.000 0.000 0.296 345 N C -0.213 175.281 175.510 -0.028 0.000 1.254 345 N CA 0.019 53.054 53.050 -0.025 0.000 1.190 345 N CB -0.385 38.088 38.487 -0.022 0.000 1.460 345 N HN 0.447 nan 8.380 nan 0.000 0.538 346 A N 0.006 122.806 122.820 -0.034 0.000 2.333 346 A HA 0.595 4.915 4.320 0.000 0.000 0.298 346 A C -0.987 176.566 177.584 -0.052 0.000 1.239 346 A CA -0.695 51.320 52.037 -0.038 0.000 0.896 346 A CB -0.271 18.711 19.000 -0.030 0.000 1.421 346 A HN 0.310 nan 8.150 nan 0.000 0.433 347 A N 0.937 123.718 122.820 -0.065 0.000 2.350 347 A HA 0.830 5.150 4.320 0.000 0.000 0.324 347 A C 0.889 178.437 177.584 -0.060 0.000 1.118 347 A CA 0.206 52.209 52.037 -0.057 0.000 0.783 347 A CB 1.058 20.022 19.000 -0.060 0.000 1.236 347 A HN 1.763 nan 8.150 nan 0.000 0.457 348 K N 0.375 120.746 120.400 -0.048 0.000 2.439 348 K HA 0.208 4.528 4.320 0.000 0.000 0.197 348 K C 1.556 178.123 176.600 -0.056 0.000 1.041 348 K CA 1.893 58.152 56.287 -0.047 0.000 0.970 348 K CB -1.085 31.393 32.500 -0.037 0.000 0.773 348 K HN 1.109 nan 8.250 nan 0.000 0.479 349 E N -0.808 119.357 120.200 -0.058 0.000 2.285 349 E HA 0.180 4.530 4.350 0.000 0.000 0.194 349 E C 2.185 178.730 176.600 -0.092 0.000 0.997 349 E CA 1.149 57.510 56.400 -0.065 0.000 0.845 349 E CB -1.239 28.430 29.700 -0.051 0.000 0.782 349 E HN 0.941 nan 8.360 nan 0.000 0.491 350 F N 1.003 120.893 119.950 -0.101 0.000 2.128 350 F HA 0.322 4.849 4.527 0.000 0.000 0.295 350 F C 2.768 178.501 175.800 -0.113 0.000 1.100 350 F CA 1.295 59.218 58.000 -0.129 0.000 1.260 350 F CB -0.962 37.956 39.000 -0.137 0.000 1.009 350 F HN 0.441 nan 8.300 nan 0.000 0.476 351 G N -1.031 107.716 108.800 -0.088 0.000 2.848 351 G HA2 0.153 4.113 3.960 0.000 0.000 0.208 351 G HA3 0.153 4.113 3.960 0.000 0.000 0.208 351 G C 1.505 176.357 174.900 -0.080 0.000 1.152 351 G CA 0.817 45.877 45.100 -0.065 0.000 0.789 351 G HN 0.525 nan 8.290 nan 0.000 0.531 352 L N -0.228 120.940 121.223 -0.091 0.000 2.362 352 L HA 0.290 4.630 4.340 0.000 0.000 0.204 352 L C 2.416 179.215 176.870 -0.118 0.000 1.060 352 L CA 0.845 55.626 54.840 -0.097 0.000 0.827 352 L CB -0.351 41.661 42.059 -0.078 0.000 1.027 352 L HN 0.091 nan 8.230 nan 0.000 0.474 353 V N -0.325 119.513 119.914 -0.126 0.000 2.591 353 V HA -0.123 3.997 4.120 0.000 0.000 0.249 353 V C 2.511 178.496 176.094 -0.181 0.000 1.053 353 V CA 1.754 63.966 62.300 -0.146 0.000 1.068 353 V CB 0.360 32.069 31.823 -0.191 0.000 0.689 353 V HN 0.457 nan 8.190 nan 0.000 0.462 354 S N -0.697 114.903 115.700 -0.166 0.000 2.428 354 S HA -0.103 4.367 4.470 0.000 0.000 0.230 354 S C 1.839 176.323 174.600 -0.194 0.000 1.014 354 S CA 1.319 59.428 58.200 -0.151 0.000 0.957 354 S CB -0.121 63.047 63.200 -0.054 0.000 0.784 354 S HN 0.565 nan 8.310 nan 0.000 0.499 355 S N 1.269 116.861 115.700 -0.179 0.000 2.727 355 S HA 0.058 4.528 4.470 0.000 0.000 0.226 355 S C 0.434 174.879 174.600 -0.257 0.000 0.963 355 S CA 0.044 58.118 58.200 -0.209 0.000 0.950 355 S CB -0.261 62.839 63.200 -0.167 0.000 0.779 355 S HN 0.196 nan 8.310 nan 0.000 0.532 356 V N 2.657 122.401 119.914 -0.283 0.000 2.776 356 V HA 0.221 4.341 4.120 0.000 0.000 0.332 356 V C 0.960 176.735 176.094 -0.532 0.000 1.201 356 V CA 0.182 62.279 62.300 -0.338 0.000 1.401 356 V CB 0.056 31.733 31.823 -0.244 0.000 1.552 356 V HN 0.558 nan 8.190 nan 0.000 0.605 357 S N -0.803 114.556 115.700 -0.568 0.000 2.540 357 S HA -0.010 4.460 4.470 0.000 0.000 0.218 357 S C 1.623 175.968 174.600 -0.425 0.000 0.977 357 S CA 0.594 58.307 58.200 -0.811 0.000 0.918 357 S CB 0.428 63.360 63.200 -0.446 0.000 0.806 357 S HN 0.515 nan 8.310 nan 0.000 0.496 358 V N 0.327 120.067 119.914 -0.290 0.000 2.626 358 V HA 0.035 4.155 4.120 0.000 0.000 0.252 358 V C 2.137 178.378 176.094 0.245 0.000 1.067 358 V CA 1.030 63.309 62.300 -0.035 0.000 1.081 358 V CB -1.213 30.553 31.823 -0.094 0.000 0.686 358 V HN 0.503 nan 8.190 nan 0.000 0.468 359 I N -0.415 120.186 120.570 0.052 0.000 2.315 359 I HA -0.163 4.007 4.170 0.000 0.000 0.248 359 I C 2.573 178.882 176.117 0.321 0.000 1.117 359 I CA 1.820 63.291 61.300 0.285 0.000 1.404 359 I CB -0.525 37.536 38.000 0.103 0.000 1.071 359 I HN 0.218 nan 8.210 nan 0.000 0.419 360 F N 1.297 121.326 119.950 0.132 0.000 2.120 360 F HA -0.282 4.245 4.527 0.000 0.000 0.300 360 F C 2.735 178.625 175.800 0.150 0.000 1.095 360 F CA 1.320 59.373 58.000 0.088 0.000 1.249 360 F CB -0.860 38.146 39.000 0.011 0.000 0.995 360 F HN 0.096 nan 8.300 nan 0.000 0.480 361 T N 0.848 115.646 114.554 0.405 0.000 2.822 361 T HA -0.197 4.153 4.350 0.000 0.000 0.270 361 T C 1.911 176.940 174.700 0.549 0.000 1.064 361 T CA 0.992 63.367 62.100 0.459 0.000 1.131 361 T CB -0.394 68.752 68.868 0.463 0.000 0.858 361 T HN 0.261 nan 8.240 nan 0.000 0.483 362 L N 0.374 121.841 121.223 0.408 0.000 2.179 362 L HA -0.017 4.323 4.340 0.000 0.000 0.208 362 L C 2.654 179.651 176.870 0.211 0.000 1.096 362 L CA 0.558 55.593 54.840 0.326 0.000 0.779 362 L CB -0.627 41.503 42.059 0.118 0.000 0.922 362 L HN 0.150 nan 8.230 nan 0.000 0.443 363 V N 0.771 120.746 119.914 0.102 0.000 2.282 363 V HA -0.225 3.895 4.120 0.000 0.000 0.249 363 V C -0.100 175.823 176.094 -0.285 0.000 1.057 363 V CA 2.294 64.490 62.300 -0.173 0.000 1.032 363 V CB -1.515 30.197 31.823 -0.185 0.000 0.645 363 V HN 0.324 nan 8.190 nan 0.000 0.447 364 P HA -0.167 nan 4.420 nan 0.000 0.214 364 P C 1.457 178.781 177.300 0.041 0.000 1.163 364 P CA 1.597 64.694 63.100 -0.006 0.000 0.883 364 P CB -0.181 31.515 31.700 -0.006 0.000 0.788 365 Y N -0.910 119.464 120.300 0.124 0.000 2.102 365 Y HA -0.222 4.328 4.550 0.000 0.000 0.280 365 Y C 2.383 178.268 175.900 -0.026 0.000 1.178 365 Y CA 1.195 59.381 58.100 0.143 0.000 1.146 365 Y CB -1.480 37.057 38.460 0.128 0.000 0.968 365 Y HN -0.127 nan 8.280 nan 0.000 0.504 366 L N -1.169 120.103 121.223 0.082 0.000 1.989 366 L HA -0.279 4.061 4.340 0.000 0.000 0.211 366 L C 2.034 178.951 176.870 0.077 0.000 1.071 366 L CA 1.873 56.702 54.840 -0.020 0.000 0.749 366 L CB -0.949 41.075 42.059 -0.059 0.000 0.890 366 L HN 0.175 nan 8.230 nan 0.000 0.431 367 Y N -0.164 120.175 120.300 0.064 0.000 2.242 367 Y HA -0.148 4.402 4.550 0.000 0.000 0.291 367 Y C 2.895 178.839 175.900 0.073 0.000 1.137 367 Y CA 1.349 59.535 58.100 0.143 0.000 1.181 367 Y CB -1.730 36.812 38.460 0.137 0.000 0.989 367 Y HN 0.456 nan 8.280 nan 0.000 0.527 368 T N -3.429 111.181 114.554 0.093 0.000 3.035 368 T HA -0.123 4.227 4.350 0.000 0.000 0.268 368 T C 1.997 176.552 174.700 -0.240 0.000 1.109 368 T CA 1.184 63.211 62.100 -0.121 0.000 1.119 368 T CB -0.979 67.650 68.868 -0.398 0.000 0.900 368 T HN 0.306 nan 8.240 nan 0.000 0.503 369 C N 1.479 120.643 119.300 -0.227 0.000 2.518 369 C HA 0.411 4.871 4.460 0.000 0.000 0.279 369 C C 3.417 178.361 174.990 -0.077 0.000 1.279 369 C CA 0.354 59.171 59.018 -0.335 0.000 1.703 369 C CB -1.404 25.806 27.740 -0.883 0.000 2.072 369 C HN 0.736 nan 8.230 nan 0.000 0.487 370 A N 0.790 123.694 122.820 0.140 0.000 1.948 370 A HA -0.064 4.256 4.320 0.000 0.000 0.220 370 A C 2.299 179.923 177.584 0.067 0.000 1.177 370 A CA 2.357 54.608 52.037 0.356 0.000 0.636 370 A CB -0.940 18.440 19.000 0.634 0.000 0.815 370 A HN 0.611 nan 8.150 nan 0.000 0.449 371 A N -0.320 122.480 122.820 -0.034 0.000 1.841 371 A HA -0.147 4.173 4.320 0.000 0.000 0.216 371 A C 2.188 179.646 177.584 -0.210 0.000 1.199 371 A CA 1.639 53.562 52.037 -0.190 0.000 0.621 371 A CB -0.890 18.011 19.000 -0.164 0.000 0.835 371 A HN 0.724 nan 8.150 nan 0.000 0.445 372 L N -0.609 120.494 121.223 -0.200 0.000 2.263 372 L HA -0.171 4.169 4.340 0.000 0.000 0.216 372 L C 2.217 179.076 176.870 -0.019 0.000 1.111 372 L CA 1.057 55.788 54.840 -0.182 0.000 0.773 372 L CB -0.119 41.836 42.059 -0.173 0.000 0.906 372 L HN 0.450 nan 8.230 nan 0.000 0.439 373 L N -1.500 119.755 121.223 0.053 0.000 2.145 373 L HA -0.124 4.216 4.340 0.000 0.000 0.201 373 L C 2.245 179.109 176.870 -0.010 0.000 1.075 373 L CA 0.819 55.752 54.840 0.156 0.000 0.773 373 L CB -0.320 41.874 42.059 0.226 0.000 0.936 373 L HN 0.255 nan 8.230 nan 0.000 0.451 374 L N -0.948 120.198 121.223 -0.128 0.000 2.179 374 L HA -0.123 4.217 4.340 0.000 0.000 0.208 374 L C 2.393 178.990 176.870 -0.455 0.000 1.096 374 L CA 0.308 54.987 54.840 -0.269 0.000 0.779 374 L CB -0.215 41.666 42.059 -0.297 0.000 0.922 374 L HN 0.240 nan 8.230 nan 0.000 0.443 375 L N -0.069 120.913 121.223 -0.403 0.000 2.056 375 L HA 0.063 4.403 4.340 0.000 0.000 0.202 375 L C 1.832 178.423 176.870 -0.465 0.000 1.086 375 L CA 1.817 56.402 54.840 -0.424 0.000 0.758 375 L CB -1.406 40.429 42.059 -0.374 0.000 0.912 375 L HN 0.229 nan 8.230 nan 0.000 0.446 376 G N -1.057 107.466 108.800 -0.461 0.000 3.949 376 G HA2 0.032 3.992 3.960 0.000 0.000 0.295 376 G HA3 0.032 3.992 3.960 0.000 0.000 0.295 376 G C 0.914 175.408 174.900 -0.678 0.000 1.286 376 G CA -0.140 44.661 45.100 -0.498 0.000 1.171 376 G HN 0.578 nan 8.290 nan 0.000 0.586 377 H N -1.130 117.643 119.070 -0.494 0.000 2.489 377 H HA -0.007 4.549 4.556 0.000 0.000 0.293 377 H C 1.979 177.098 175.328 -0.349 0.000 1.066 377 H CA 0.770 56.573 56.048 -0.409 0.000 1.305 377 H CB -0.591 29.132 29.762 -0.065 0.000 1.386 377 H HN 0.227 nan 8.280 nan 0.000 0.551 378 G N -0.359 108.486 108.800 0.075 0.000 2.608 378 G HA2 -0.113 3.847 3.960 0.000 0.000 0.210 378 G HA3 -0.113 3.847 3.960 0.000 0.000 0.210 378 G C 0.680 175.504 174.900 -0.128 0.000 1.139 378 G CA -0.093 44.944 45.100 -0.104 0.000 0.812 378 G HN 0.491 nan 8.290 nan 0.000 0.529 379 H N -0.163 118.746 119.070 -0.269 0.000 2.562 379 H HA 0.270 4.826 4.556 0.000 0.000 0.274 379 H C 1.159 176.470 175.328 -0.028 0.000 1.038 379 H CA -0.157 55.791 56.048 -0.167 0.000 1.161 379 H CB -0.328 29.315 29.762 -0.198 0.000 1.318 379 H HN 0.399 nan 8.280 nan 0.000 0.617 380 F N -0.433 119.612 119.950 0.159 0.000 2.261 380 F HA 0.194 4.721 4.527 0.000 0.000 0.262 380 F C 2.441 178.316 175.800 0.126 0.000 1.304 380 F CA 0.238 58.355 58.000 0.194 0.000 1.054 380 F CB -0.497 38.623 39.000 0.199 0.000 0.988 380 F HN 0.278 nan 8.300 nan 0.000 0.551 381 G N -0.446 108.556 108.800 0.337 0.000 2.353 381 G HA2 -0.463 3.497 3.960 0.000 0.000 0.258 381 G HA3 -0.463 3.497 3.960 0.000 0.000 0.258 381 G C 0.954 175.914 174.900 0.100 0.000 1.013 381 G CA 1.000 46.191 45.100 0.153 0.000 0.622 381 G HN 0.611 nan 8.290 nan 0.000 0.535 382 K N -0.687 119.792 120.400 0.132 0.000 2.444 382 K HA 0.812 5.132 4.320 0.000 0.000 0.193 382 K C 1.367 177.924 176.600 -0.071 0.000 1.024 382 K CA 1.887 58.201 56.287 0.045 0.000 1.077 382 K CB -0.060 32.495 32.500 0.092 0.000 0.833 382 K HN 2.377 nan 8.250 nan 0.000 0.517 383 A N -0.333 122.426 122.820 -0.102 0.000 2.199 383 A HA 0.134 4.454 4.320 0.000 0.000 0.226 383 A C 1.014 178.408 177.584 -0.317 0.000 2.886 383 A CA 0.374 52.250 52.037 -0.268 0.000 1.837 383 A CB -1.396 17.308 19.000 -0.492 0.000 0.196 383 A HN 0.320 nan 8.150 nan 0.000 0.751 384 R N 0.700 121.111 120.500 -0.148 0.000 2.096 384 R HA -0.129 4.211 4.340 0.000 0.000 0.240 384 R C -0.988 175.173 176.300 -0.231 0.000 1.139 384 R CA 2.575 58.542 56.100 -0.221 0.000 0.952 384 R CB -0.693 29.632 30.300 0.042 0.000 0.854 384 R HN 0.459 nan 8.270 nan 0.000 0.436 385 P HA -0.157 nan 4.420 nan 0.000 0.216 385 P C 1.383 178.595 177.300 -0.145 0.000 1.150 385 P CA 1.067 64.095 63.100 -0.119 0.000 0.837 385 P CB -0.115 31.528 31.700 -0.094 0.000 0.786 386 L N -2.303 118.796 121.223 -0.208 0.000 2.027 386 L HA -0.185 4.155 4.340 0.000 0.000 0.206 386 L C 2.275 179.025 176.870 -0.199 0.000 1.074 386 L CA 1.739 56.442 54.840 -0.228 0.000 0.745 386 L CB -0.718 41.144 42.059 -0.328 0.000 0.898 386 L HN -0.104 nan 8.230 nan 0.000 0.433 387 Y N -0.345 119.791 120.300 -0.274 0.000 2.200 387 Y HA -0.241 4.309 4.550 0.000 0.000 0.290 387 Y C 2.330 178.082 175.900 -0.246 0.000 1.137 387 Y CA 1.413 59.311 58.100 -0.338 0.000 1.163 387 Y CB -0.779 37.232 38.460 -0.747 0.000 0.988 387 Y HN 0.207 nan 8.280 nan 0.000 0.518 388 L N -0.494 120.660 121.223 -0.114 0.000 2.127 388 L HA -0.180 4.160 4.340 0.000 0.000 0.211 388 L C 2.173 179.087 176.870 0.073 0.000 1.089 388 L CA 1.338 56.175 54.840 -0.005 0.000 0.757 388 L CB -0.833 41.206 42.059 -0.033 0.000 0.899 388 L HN 0.260 nan 8.230 nan 0.000 0.434 389 L N -0.733 120.506 121.223 0.026 0.000 2.007 389 L HA -0.116 4.224 4.340 0.000 0.000 0.205 389 L C 2.342 179.315 176.870 0.173 0.000 1.073 389 L CA 1.754 56.633 54.840 0.065 0.000 0.744 389 L CB -0.570 41.485 42.059 -0.006 0.000 0.898 389 L HN 0.228 nan 8.230 nan 0.000 0.435 390 I N 0.024 120.662 120.570 0.114 0.000 2.113 390 I HA -0.402 3.768 4.170 0.000 0.000 0.242 390 I C 2.509 178.714 176.117 0.146 0.000 1.064 390 I CA 2.208 63.578 61.300 0.118 0.000 1.320 390 I CB -1.010 37.056 38.000 0.109 0.000 1.028 390 I HN 0.557 nan 8.210 nan 0.000 0.406 391 T N -0.810 113.845 114.554 0.167 0.000 2.803 391 T HA -0.285 4.066 4.350 0.000 0.000 0.269 391 T C 1.759 176.686 174.700 0.378 0.000 1.052 391 T CA 1.447 63.655 62.100 0.179 0.000 1.136 391 T CB -0.976 68.019 68.868 0.211 0.000 0.864 391 T HN 0.401 nan 8.240 nan 0.000 0.467 392 F N 1.891 122.004 119.950 0.272 0.000 2.146 392 F HA 0.016 4.543 4.527 0.000 0.000 0.298 392 F C 2.287 178.220 175.800 0.222 0.000 1.096 392 F CA 0.836 59.005 58.000 0.282 0.000 1.275 392 F CB -0.492 38.571 39.000 0.106 0.000 1.008 392 F HN -0.015 nan 8.300 nan 0.000 0.480 393 V N 0.989 121.036 119.914 0.222 0.000 2.219 393 V HA -0.383 3.737 4.120 0.000 0.000 0.248 393 V C 2.801 178.907 176.094 0.020 0.000 1.053 393 V CA 2.221 64.569 62.300 0.080 0.000 1.009 393 V CB -1.595 30.299 31.823 0.118 0.000 0.636 393 V HN 0.503 nan 8.190 nan 0.000 0.445 394 A N -1.227 121.600 122.820 0.011 0.000 1.986 394 A HA -0.260 4.060 4.320 0.000 0.000 0.220 394 A C 2.068 179.640 177.584 -0.020 0.000 1.171 394 A CA 2.118 54.119 52.037 -0.060 0.000 0.640 394 A CB -0.797 18.125 19.000 -0.129 0.000 0.811 394 A HN 0.515 nan 8.150 nan 0.000 0.451 395 F N -1.034 118.870 119.950 -0.076 0.000 2.046 395 F HA -0.200 4.327 4.527 0.000 0.000 0.297 395 F C 2.540 178.257 175.800 -0.139 0.000 1.123 395 F CA 1.946 59.882 58.000 -0.108 0.000 1.199 395 F CB -0.392 38.489 39.000 -0.199 0.000 0.972 395 F HN 0.122 nan 8.300 nan 0.000 0.474 396 V N -0.543 119.323 119.914 -0.079 0.000 2.343 396 V HA -0.344 3.776 4.120 0.000 0.000 0.247 396 V C 2.067 178.161 176.094 -0.001 0.000 1.051 396 V CA 2.051 64.252 62.300 -0.164 0.000 1.036 396 V CB -0.676 30.914 31.823 -0.389 0.000 0.654 396 V HN 0.528 nan 8.190 nan 0.000 0.451 397 Y N 0.399 120.665 120.300 -0.057 0.000 2.132 397 Y HA -0.377 4.173 4.550 0.000 0.000 0.280 397 Y C 2.524 178.421 175.900 -0.005 0.000 1.193 397 Y CA 2.647 60.762 58.100 0.025 0.000 1.157 397 Y CB -0.643 37.802 38.460 -0.026 0.000 0.966 397 Y HN 0.423 nan 8.280 nan 0.000 0.511 398 C N 0.285 119.712 119.300 0.211 0.000 2.466 398 C HA -0.087 4.373 4.460 0.000 0.000 0.278 398 C C 2.594 177.600 174.990 0.026 0.000 1.288 398 C CA 0.917 59.970 59.018 0.058 0.000 1.722 398 C CB -1.252 26.535 27.740 0.079 0.000 2.017 398 C HN 0.629 nan 8.230 nan 0.000 0.488 399 I N -0.766 119.849 120.570 0.075 0.000 2.700 399 I HA -0.186 3.984 4.170 0.000 0.000 0.261 399 I C 2.433 178.637 176.117 0.146 0.000 1.219 399 I CA 1.148 62.499 61.300 0.084 0.000 1.463 399 I CB -0.318 37.706 38.000 0.040 0.000 1.092 399 I HN 0.486 nan 8.210 nan 0.000 0.452 400 W N 1.396 122.640 121.300 -0.093 0.000 2.539 400 W HA 0.137 4.797 4.660 0.000 0.000 0.299 400 W C 2.704 179.154 176.519 -0.116 0.000 1.165 400 W CA 0.898 58.179 57.345 -0.106 0.000 1.400 400 W CB -0.732 28.638 29.460 -0.151 0.000 1.123 400 W HN 0.043 nan 8.180 nan 0.000 0.533 401 A N -0.025 122.759 122.820 -0.060 0.000 1.986 401 A HA -0.195 4.125 4.320 0.000 0.000 0.220 401 A C 2.069 179.759 177.584 0.176 0.000 1.171 401 A CA 2.382 54.289 52.037 -0.218 0.000 0.640 401 A CB -0.983 17.507 19.000 -0.851 0.000 0.811 401 A HN 0.085 nan 8.150 nan 0.000 0.451 402 V N -0.011 119.996 119.914 0.154 0.000 2.379 402 V HA -0.219 3.901 4.120 0.000 0.000 0.245 402 V C 2.386 178.606 176.094 0.210 0.000 1.044 402 V CA 1.832 64.287 62.300 0.259 0.000 1.036 402 V CB -0.577 31.356 31.823 0.183 0.000 0.664 402 V HN 0.591 nan 8.190 nan 0.000 0.453 403 I N 0.988 121.667 120.570 0.181 0.000 2.286 403 I HA -0.134 4.036 4.170 0.000 0.000 0.248 403 I C 2.112 178.289 176.117 0.099 0.000 1.115 403 I CA 1.654 63.045 61.300 0.151 0.000 1.392 403 I CB -0.696 37.436 38.000 0.221 0.000 1.065 403 I HN 0.431 nan 8.210 nan 0.000 0.418 404 G N 0.641 109.489 108.800 0.081 0.000 3.374 404 G HA2 0.161 4.121 3.960 0.000 0.000 0.252 404 G HA3 0.161 4.121 3.960 0.000 0.000 0.252 404 G C 0.152 175.096 174.900 0.074 0.000 1.326 404 G CA 0.005 45.117 45.100 0.020 0.000 1.133 404 G HN 0.214 nan 8.290 nan 0.000 0.528 405 S N -1.494 114.252 115.700 0.077 0.000 2.677 405 S HA 0.688 5.158 4.470 0.000 0.000 0.304 405 S C 0.471 175.048 174.600 -0.038 0.000 1.108 405 S CA -0.412 57.782 58.200 -0.010 0.000 0.944 405 S CB 1.740 64.960 63.200 0.033 0.000 1.127 405 S HN 0.351 nan 8.310 nan 0.000 0.511 406 G N 0.484 109.232 108.800 -0.087 0.000 2.343 406 G HA2 0.417 4.377 3.960 0.000 0.000 0.254 406 G HA3 0.417 4.377 3.960 0.000 0.000 0.254 406 G C 0.996 175.878 174.900 -0.031 0.000 1.277 406 G CA 0.034 45.098 45.100 -0.061 0.000 0.909 406 G HN 0.841 nan 8.290 nan 0.000 0.502 407 A N 3.123 125.929 122.820 -0.024 0.000 1.986 407 A HA -0.127 4.193 4.320 0.000 0.000 0.220 407 A C 2.325 179.889 177.584 -0.033 0.000 1.171 407 A CA 1.931 53.952 52.037 -0.027 0.000 0.640 407 A CB -0.219 18.760 19.000 -0.035 0.000 0.811 407 A HN 0.731 nan 8.150 nan 0.000 0.451 408 K N 0.004 120.396 120.400 -0.014 0.000 2.025 408 K HA -0.149 4.171 4.320 0.000 0.000 0.207 408 K C 1.872 178.528 176.600 0.092 0.000 1.049 408 K CA 1.566 57.868 56.287 0.025 0.000 0.933 408 K CB -0.315 32.224 32.500 0.065 0.000 0.714 408 K HN 0.638 nan 8.250 nan 0.000 0.438 409 E N 1.082 121.315 120.200 0.054 0.000 2.038 409 E HA -0.177 4.173 4.350 0.000 0.000 0.195 409 E C 2.195 178.833 176.600 0.064 0.000 1.000 409 E CA 1.444 57.870 56.400 0.042 0.000 0.803 409 E CB -0.284 29.370 29.700 -0.078 0.000 0.750 409 E HN 0.013 nan 8.360 nan 0.000 0.448 410 V N 1.967 121.905 119.914 0.040 0.000 2.343 410 V HA -0.275 3.845 4.120 0.000 0.000 0.247 410 V C 2.366 178.522 176.094 0.103 0.000 1.051 410 V CA 1.612 63.963 62.300 0.085 0.000 1.036 410 V CB -0.437 31.433 31.823 0.079 0.000 0.654 410 V HN 0.414 nan 8.190 nan 0.000 0.451 411 M N -1.144 118.455 119.600 -0.001 0.000 2.143 411 M HA -0.273 4.208 4.480 0.000 0.000 0.258 411 M C 1.973 178.209 176.300 -0.108 0.000 1.071 411 M CA 2.324 57.542 55.300 -0.137 0.000 1.088 411 M CB -0.566 31.847 32.600 -0.311 0.000 1.360 411 M HN 0.503 nan 8.290 nan 0.000 0.404 412 W N -0.351 121.011 121.300 0.104 0.000 2.494 412 W HA -0.014 4.646 4.660 0.000 0.000 0.286 412 W C 2.643 179.287 176.519 0.208 0.000 1.218 412 W CA 0.722 58.146 57.345 0.131 0.000 1.313 412 W CB -0.631 28.867 29.460 0.064 0.000 1.105 412 W HN 0.178 nan 8.180 nan 0.000 0.561 413 S N 0.344 116.280 115.700 0.394 0.000 2.380 413 S HA -0.277 4.193 4.470 0.000 0.000 0.229 413 S C 1.589 176.451 174.600 0.436 0.000 1.043 413 S CA 1.764 60.236 58.200 0.454 0.000 1.038 413 S CB -0.597 62.778 63.200 0.291 0.000 0.872 413 S HN 0.287 nan 8.310 nan 0.000 0.456 414 F N 1.726 121.794 119.950 0.197 0.000 2.113 414 F HA -0.077 4.450 4.527 0.000 0.000 0.297 414 F C 2.106 177.991 175.800 0.141 0.000 1.103 414 F CA 1.122 59.201 58.000 0.131 0.000 1.248 414 F CB -0.456 38.577 39.000 0.056 0.000 0.999 414 F HN -0.024 nan 8.300 nan 0.000 0.475 415 V N -0.194 119.971 119.914 0.418 0.000 2.469 415 V HA -0.324 3.796 4.120 0.000 0.000 0.251 415 V C 2.259 178.520 176.094 0.278 0.000 1.064 415 V CA 2.253 64.758 62.300 0.341 0.000 1.066 415 V CB -1.317 30.734 31.823 0.380 0.000 0.667 415 V HN 0.425 nan 8.190 nan 0.000 0.461 416 T N 0.831 115.573 114.554 0.313 0.000 2.652 416 T HA -0.191 4.159 4.350 0.000 0.000 0.267 416 T C 1.874 176.606 174.700 0.053 0.000 1.039 416 T CA 1.859 64.088 62.100 0.215 0.000 1.153 416 T CB -0.361 68.676 68.868 0.281 0.000 0.863 416 T HN 0.351 nan 8.240 nan 0.000 0.428 417 L N 0.545 121.753 121.223 -0.025 0.000 2.042 417 L HA -0.132 4.208 4.340 0.000 0.000 0.210 417 L C 2.845 179.686 176.870 -0.047 0.000 1.076 417 L CA 1.071 55.846 54.840 -0.107 0.000 0.749 417 L CB -0.763 41.169 42.059 -0.212 0.000 0.893 417 L HN 0.286 nan 8.230 nan 0.000 0.432 418 M N -0.588 118.979 119.600 -0.055 0.000 2.089 418 M HA -0.229 4.251 4.480 0.000 0.000 0.257 418 M C 2.386 178.747 176.300 0.102 0.000 1.071 418 M CA 1.719 57.036 55.300 0.030 0.000 1.096 418 M CB -1.100 31.556 32.600 0.094 0.000 1.330 418 M HN 0.151 nan 8.290 nan 0.000 0.403 419 V N 0.461 120.448 119.914 0.121 0.000 2.453 419 V HA -0.211 3.909 4.120 0.000 0.000 0.247 419 V C 2.527 178.722 176.094 0.168 0.000 1.048 419 V CA 1.062 63.452 62.300 0.149 0.000 1.049 419 V CB -0.436 31.483 31.823 0.161 0.000 0.672 419 V HN 0.285 nan 8.190 nan 0.000 0.457 420 I N 1.094 121.742 120.570 0.130 0.000 2.127 420 I HA -0.236 3.934 4.170 0.000 0.000 0.241 420 I C 2.897 179.220 176.117 0.343 0.000 1.075 420 I CA 2.539 63.935 61.300 0.160 0.000 1.334 420 I CB -1.921 36.057 38.000 -0.036 0.000 1.040 420 I HN 0.546 nan 8.210 nan 0.000 0.405 421 T N 0.057 114.811 114.554 0.335 0.000 2.788 421 T HA -0.106 4.244 4.350 0.000 0.000 0.268 421 T C 2.033 176.946 174.700 0.355 0.000 1.044 421 T CA 1.487 63.900 62.100 0.522 0.000 1.139 421 T CB -0.444 68.693 68.868 0.448 0.000 0.867 421 T HN 0.293 nan 8.240 nan 0.000 0.454 422 A N 1.181 124.149 122.820 0.247 0.000 1.933 422 A HA 0.150 4.470 4.320 0.000 0.000 0.218 422 A C 2.330 180.045 177.584 0.218 0.000 1.175 422 A CA 1.465 53.616 52.037 0.190 0.000 0.628 422 A CB -0.926 18.167 19.000 0.154 0.000 0.814 422 A HN 0.477 nan 8.150 nan 0.000 0.444 423 L N -1.804 119.588 121.223 0.281 0.000 1.976 423 L HA -0.132 4.208 4.340 0.000 0.000 0.209 423 L C 2.347 179.412 176.870 0.324 0.000 1.071 423 L CA 2.323 57.347 54.840 0.306 0.000 0.746 423 L CB -1.052 41.234 42.059 0.378 0.000 0.890 423 L HN 0.552 nan 8.230 nan 0.000 0.432 424 Y N -0.016 120.450 120.300 0.278 0.000 2.114 424 Y HA -0.328 4.222 4.550 0.000 0.000 0.282 424 Y C 2.314 178.268 175.900 0.089 0.000 1.165 424 Y CA 2.078 60.212 58.100 0.056 0.000 1.148 424 Y CB -0.398 38.132 38.460 0.117 0.000 0.972 424 Y HN 0.241 nan 8.280 nan 0.000 0.504 425 A N -0.481 122.479 122.820 0.234 0.000 2.067 425 A HA -0.084 4.236 4.320 0.000 0.000 0.219 425 A C 2.137 179.729 177.584 0.013 0.000 1.158 425 A CA 1.605 53.682 52.037 0.068 0.000 0.661 425 A CB -0.787 18.248 19.000 0.058 0.000 0.801 425 A HN 0.583 nan 8.150 nan 0.000 0.452 426 L N -1.308 119.948 121.223 0.055 0.000 2.221 426 L HA -0.001 4.339 4.340 0.000 0.000 0.202 426 L C 2.184 179.061 176.870 0.011 0.000 1.074 426 L CA 0.540 55.403 54.840 0.038 0.000 0.795 426 L CB -0.360 41.740 42.059 0.069 0.000 0.960 426 L HN 0.256 nan 8.230 nan 0.000 0.458 427 N N -0.043 118.678 118.700 0.035 0.000 2.124 427 N HA -0.122 4.618 4.740 0.000 0.000 0.189 427 N C 1.319 176.753 175.510 -0.126 0.000 1.050 427 N CA 1.342 54.386 53.050 -0.009 0.000 0.848 427 N CB -0.509 38.038 38.487 0.101 0.000 1.027 427 N HN 0.217 nan 8.380 nan 0.000 0.435 428 Y N 1.940 122.003 120.300 -0.395 0.000 2.506 428 Y HA 0.064 4.614 4.550 0.000 0.000 0.335 428 Y C 1.793 177.509 175.900 -0.307 0.000 1.218 428 Y CA -0.453 57.381 58.100 -0.444 0.000 1.260 428 Y CB -0.622 37.311 38.460 -0.878 0.000 1.085 428 Y HN 0.197 nan 8.280 nan 0.000 0.495 429 N N 1.712 120.350 118.700 -0.103 0.000 2.139 429 N HA -0.276 4.464 4.740 0.000 0.000 0.199 429 N C 1.227 176.723 175.510 -0.023 0.000 1.003 429 N CA 1.851 54.861 53.050 -0.066 0.000 0.892 429 N CB 0.022 38.479 38.487 -0.049 0.000 1.039 429 N HN 0.443 nan 8.380 nan 0.000 0.461 430 R N -0.915 119.570 120.500 -0.024 0.000 2.531 430 R HA 0.330 4.670 4.340 0.000 0.000 0.316 430 R C 1.564 177.873 176.300 0.015 0.000 0.955 430 R CA -0.220 55.883 56.100 0.005 0.000 1.120 430 R CB 0.585 30.876 30.300 -0.014 0.000 1.361 430 R HN 0.223 nan 8.270 nan 0.000 0.534 431 I N 0.073 120.646 120.570 0.004 0.000 3.251 431 I HA -0.052 4.118 4.170 0.000 0.000 0.277 431 I C 0.600 176.779 176.117 0.104 0.000 1.268 431 I CA 0.315 61.629 61.300 0.024 0.000 1.449 431 I CB -0.192 37.789 38.000 -0.032 0.000 1.083 431 I HN 0.134 nan 8.210 nan 0.000 0.464 432 H N 2.841 121.934 119.070 0.039 0.000 2.848 432 H HA 0.115 4.671 4.556 0.000 0.000 0.317 432 H C 0.243 175.614 175.328 0.071 0.000 1.046 432 H CA 0.111 56.213 56.048 0.090 0.000 1.470 432 H CB 0.497 30.309 29.762 0.084 0.000 1.483 432 H HN -0.060 nan 8.280 nan 0.000 0.548 433 K N 4.857 125.089 120.400 -0.281 0.000 2.250 433 K HA 0.061 4.381 4.320 0.000 0.000 0.280 433 K C -0.509 175.958 176.600 -0.222 0.000 1.098 433 K CA -0.394 55.788 56.287 -0.176 0.000 0.916 433 K CB 0.045 32.465 32.500 -0.133 0.000 1.209 433 K HN 0.666 nan 8.250 nan 0.000 0.461 434 N N 6.383 125.097 118.700 0.024 0.000 2.609 434 N HA 0.233 4.973 4.740 0.000 0.000 0.234 434 N C -2.634 172.931 175.510 0.090 0.000 1.001 434 N CA -1.537 51.629 53.050 0.193 0.000 0.926 434 N CB 1.185 39.879 38.487 0.345 0.000 1.130 434 N HN 0.340 nan 8.380 nan 0.000 0.510 435 P HA 0.242 nan 4.420 nan 0.000 0.296 435 P C -1.330 176.053 177.300 0.138 0.000 1.306 435 P CA -0.237 62.818 63.100 -0.075 0.000 0.818 435 P CB 0.669 32.204 31.700 -0.275 0.000 0.969 436 Y N 3.258 123.584 120.300 0.042 0.000 2.341 436 Y HA 0.329 4.879 4.550 0.000 0.000 0.340 436 Y C -1.390 174.531 175.900 0.035 0.000 0.997 436 Y CA -2.494 55.626 58.100 0.033 0.000 1.149 436 Y CB 0.253 38.727 38.460 0.024 0.000 1.171 436 Y HN 0.308 nan 8.280 nan 0.000 0.494 437 P HA -0.035 nan 4.420 nan 0.000 0.271 437 P C 0.003 177.361 177.300 0.096 0.000 1.233 437 P CA -0.036 63.125 63.100 0.103 0.000 0.795 437 P CB 0.869 32.610 31.700 0.069 0.000 0.936 438 L N -0.057 121.207 121.223 0.068 0.000 2.867 438 L HA 0.232 4.572 4.340 0.000 0.000 0.158 438 L C 0.727 177.623 176.870 0.043 0.000 1.387 438 L CA 0.150 55.020 54.840 0.051 0.000 1.696 438 L CB -0.059 42.023 42.059 0.038 0.000 2.480 438 L HN 0.317 nan 8.230 nan 0.000 0.522 439 D N 0.000 120.419 120.400 0.031 0.000 6.856 439 D HA 0.000 4.640 4.640 0.000 0.000 0.175 439 D CA 0.000 54.016 54.000 0.026 0.000 0.868 439 D CB 0.000 40.813 40.800 0.021 0.000 0.688 439 D HN 0.000 nan 8.370 nan 0.000 0.683