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 3d66_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQSGQVLAAL PRTSRQVQVL QNLTTTYEIV LWQPVTADLI VKKKQVHFFV DATA SEQUENCE NASDVDNVKA HLNVSGIPCS VLLADVEDLI QQQISNDTVS PRASASYYEQ DATA SEQUENCE YHSLNEIYSW IEFITERHPD MLTKIHIGSS FEKYPLYVLK VSGKEQTAKN DATA SEQUENCE AIWIDcGIHA REWISPAFcL WFIGHITQFY GIIGQYTNLL RLVDFYVMPV DATA SEQUENCE VNVDGYDYSW KKNRMWRKNR SFYANNHcIG TDLNRNFASK HWcEEGASSS DATA SEQUENCE ScSETYcGLY PESEPEVKAV ASFLRRNINQ IKAYISMHSY SQHIVFPYSY DATA SEQUENCE TRSKSKDHEE LSLVASEAVR AIEKTSKNTR YTHGHGSETL YLAPGGGDDW DATA SEQUENCE IYDLGIKYSF TIELRDTGTY GFLLPERYIK PTCREAFAAV SKIAWHVIRN DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.558 177.584 -0.044 0.000 1.274 1 A CA 0.000 52.048 52.037 0.018 0.000 0.836 1 A CB 0.000 19.091 19.000 0.151 0.000 0.831 2 Q N -0.901 118.919 119.800 0.035 0.000 2.599 2 Q HA 0.349 4.689 4.340 0.000 0.000 0.229 2 Q C 0.154 176.182 176.000 0.046 0.000 0.800 2 Q CA 0.799 56.609 55.803 0.011 0.000 0.937 2 Q CB 1.279 30.028 28.738 0.020 0.000 1.285 2 Q HN 0.837 nan 8.270 nan 0.000 0.600 3 S N -1.117 114.660 115.700 0.129 0.000 2.540 3 S HA 0.871 5.341 4.470 0.000 0.000 0.275 3 S C -0.208 174.526 174.600 0.224 0.000 1.123 3 S CA -0.127 58.156 58.200 0.139 0.000 0.907 3 S CB 2.304 65.543 63.200 0.066 0.000 1.081 3 S HN 0.385 nan 8.310 nan 0.000 0.476 4 G N 1.549 110.481 108.800 0.219 0.000 2.452 4 G HA2 0.447 4.407 3.960 0.000 0.000 0.224 4 G HA3 0.447 4.407 3.960 0.000 0.000 0.224 4 G C -2.134 172.812 174.900 0.077 0.000 1.208 4 G CA -0.624 44.531 45.100 0.092 0.000 0.946 4 G HN 0.830 nan 8.290 nan 0.000 0.481 5 Q N -1.400 118.371 119.800 -0.048 0.000 2.501 5 Q HA 0.632 4.972 4.340 0.000 0.000 0.288 5 Q C -1.575 174.323 176.000 -0.170 0.000 1.051 5 Q CA -0.870 54.876 55.803 -0.095 0.000 0.788 5 Q CB 3.330 31.966 28.738 -0.171 0.000 1.469 5 Q HN 0.434 nan 8.270 nan 0.000 0.416 6 V N 2.490 122.234 119.914 -0.283 0.000 2.409 6 V HA 0.502 4.622 4.120 0.000 0.000 0.291 6 V C -0.603 175.157 176.094 -0.558 0.000 1.020 6 V CA -0.543 61.441 62.300 -0.526 0.000 0.848 6 V CB 1.259 32.638 31.823 -0.741 0.000 0.990 6 V HN 0.519 nan 8.190 nan 0.000 0.430 7 L N 3.679 124.434 121.223 -0.780 0.000 2.330 7 L HA 0.919 5.259 4.340 0.000 0.000 0.271 7 L C 0.227 176.724 176.870 -0.621 0.000 1.013 7 L CA -0.756 53.667 54.840 -0.695 0.000 0.816 7 L CB 1.952 43.559 42.059 -0.754 0.000 1.287 7 L HN 0.676 nan 8.230 nan 0.000 0.435 8 A N 1.341 123.981 122.820 -0.300 0.000 2.325 8 A HA 0.906 5.227 4.320 0.000 0.000 0.333 8 A C -0.513 177.092 177.584 0.035 0.000 1.155 8 A CA -0.354 51.663 52.037 -0.032 0.000 0.814 8 A CB 1.467 20.483 19.000 0.026 0.000 1.206 8 A HN 0.814 nan 8.150 nan 0.000 0.482 9 A N 1.014 123.931 122.820 0.161 0.000 2.454 9 A HA 0.773 5.093 4.320 0.000 0.000 0.302 9 A C -1.099 176.543 177.584 0.096 0.000 1.079 9 A CA -0.418 51.707 52.037 0.147 0.000 0.731 9 A CB 1.276 20.419 19.000 0.239 0.000 1.299 9 A HN 1.218 nan 8.150 nan 0.000 0.413 10 L N 2.741 124.000 121.223 0.059 0.000 2.481 10 L HA 0.349 4.690 4.340 0.000 0.000 0.255 10 L C -2.480 174.403 176.870 0.021 0.000 1.192 10 L CA -1.878 52.983 54.840 0.034 0.000 0.924 10 L CB 1.990 44.064 42.059 0.026 0.000 1.179 10 L HN 0.517 nan 8.230 nan 0.000 0.491 11 P HA 0.176 nan 4.420 nan 0.000 0.271 11 P C -0.362 176.938 177.300 -0.000 0.000 1.218 11 P CA -0.171 62.933 63.100 0.007 0.000 0.780 11 P CB 1.257 32.956 31.700 -0.002 0.000 0.901 12 R N -0.047 120.452 120.500 -0.001 0.000 2.453 12 R HA 0.210 4.550 4.340 0.000 0.000 0.233 12 R C 0.230 176.526 176.300 -0.006 0.000 0.895 12 R CA 0.338 56.436 56.100 -0.004 0.000 1.028 12 R CB 0.575 30.874 30.300 -0.002 0.000 1.255 12 R HN 0.497 nan 8.270 nan 0.000 0.571 13 T N -0.959 113.590 114.554 -0.007 0.000 2.901 13 T HA 0.176 4.526 4.350 0.000 0.000 0.293 13 T C 0.956 175.649 174.700 -0.012 0.000 1.084 13 T CA -0.694 61.401 62.100 -0.009 0.000 1.008 13 T CB 2.022 70.885 68.868 -0.008 0.000 1.170 13 T HN -0.135 nan 8.240 nan 0.000 0.509 14 S N 0.923 116.615 115.700 -0.014 0.000 2.408 14 S HA -0.303 4.167 4.470 0.000 0.000 0.241 14 S C 2.037 176.627 174.600 -0.016 0.000 1.080 14 S CA 1.762 59.952 58.200 -0.017 0.000 1.109 14 S CB -0.404 62.787 63.200 -0.015 0.000 0.966 14 S HN 0.596 nan 8.310 nan 0.000 0.449 15 R N 0.977 121.470 120.500 -0.012 0.000 2.073 15 R HA -0.062 4.278 4.340 0.000 0.000 0.234 15 R C 2.796 179.090 176.300 -0.009 0.000 1.134 15 R CA 1.524 57.618 56.100 -0.010 0.000 0.952 15 R CB -0.336 29.960 30.300 -0.006 0.000 0.850 15 R HN 0.589 nan 8.270 nan 0.000 0.433 16 Q N 0.133 119.929 119.800 -0.007 0.000 2.079 16 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 16 Q C 2.289 178.279 176.000 -0.015 0.000 0.974 16 Q CA 1.307 57.107 55.803 -0.005 0.000 0.840 16 Q CB -0.089 28.648 28.738 -0.001 0.000 0.898 16 Q HN 0.161 nan 8.270 nan 0.000 0.430 17 V N 1.363 121.264 119.914 -0.021 0.000 2.282 17 V HA -0.318 3.802 4.120 0.000 0.000 0.249 17 V C 2.298 178.367 176.094 -0.041 0.000 1.057 17 V CA 2.182 64.462 62.300 -0.033 0.000 1.032 17 V CB -0.559 31.245 31.823 -0.033 0.000 0.645 17 V HN 0.413 nan 8.190 nan 0.000 0.447 18 Q N -0.889 118.891 119.800 -0.033 0.000 2.230 18 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 18 Q C 2.174 178.152 176.000 -0.036 0.000 0.963 18 Q CA 1.207 56.988 55.803 -0.036 0.000 0.866 18 Q CB 0.106 28.827 28.738 -0.028 0.000 0.931 18 Q HN 0.557 nan 8.270 nan 0.000 0.452 19 V N 0.636 120.535 119.914 -0.024 0.000 2.323 19 V HA -0.266 3.854 4.120 0.000 0.000 0.244 19 V C 2.221 178.287 176.094 -0.046 0.000 1.041 19 V CA 1.387 63.679 62.300 -0.013 0.000 1.025 19 V CB -0.429 31.404 31.823 0.018 0.000 0.656 19 V HN 0.409 nan 8.190 nan 0.000 0.451 20 L N -0.506 120.677 121.223 -0.067 0.000 2.043 20 L HA -0.307 4.034 4.340 0.000 0.000 0.212 20 L C 2.706 179.479 176.870 -0.162 0.000 1.075 20 L CA 1.860 56.618 54.840 -0.136 0.000 0.752 20 L CB -0.601 41.382 42.059 -0.127 0.000 0.891 20 L HN 0.417 nan 8.230 nan 0.000 0.432 21 Q N -0.378 119.353 119.800 -0.115 0.000 2.030 21 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 21 Q C 2.032 177.967 176.000 -0.109 0.000 0.986 21 Q CA 1.818 57.555 55.803 -0.110 0.000 0.843 21 Q CB -0.165 28.523 28.738 -0.083 0.000 0.904 21 Q HN 0.447 nan 8.270 nan 0.000 0.420 22 N N 0.441 119.087 118.700 -0.091 0.000 2.166 22 N HA -0.118 4.622 4.740 0.000 0.000 0.186 22 N C 1.663 177.102 175.510 -0.119 0.000 1.019 22 N CA 0.852 53.847 53.050 -0.093 0.000 0.856 22 N CB -0.215 38.232 38.487 -0.067 0.000 0.993 22 N HN 0.164 nan 8.380 nan 0.000 0.426 23 L N 0.370 121.525 121.223 -0.114 0.000 1.990 23 L HA -0.240 4.101 4.340 0.000 0.000 0.213 23 L C 2.469 179.287 176.870 -0.087 0.000 1.072 23 L CA 1.836 56.625 54.840 -0.085 0.000 0.755 23 L CB -1.111 40.871 42.059 -0.130 0.000 0.889 23 L HN 0.382 nan 8.230 nan 0.000 0.432 24 T N -4.666 109.798 114.554 -0.149 0.000 2.759 24 T HA -0.200 4.150 4.350 0.000 0.000 0.269 24 T C 1.777 176.423 174.700 -0.089 0.000 1.042 24 T CA 1.823 63.849 62.100 -0.124 0.000 1.140 24 T CB -0.730 68.052 68.868 -0.143 0.000 0.864 24 T HN 0.234 nan 8.240 nan 0.000 0.455 25 T N 1.862 116.351 114.554 -0.108 0.000 2.674 25 T HA -0.097 4.253 4.350 0.000 0.000 0.265 25 T C 2.246 176.855 174.700 -0.152 0.000 1.039 25 T CA 1.977 64.010 62.100 -0.111 0.000 1.150 25 T CB -0.985 67.816 68.868 -0.112 0.000 0.864 25 T HN 0.528 nan 8.240 nan 0.000 0.427 26 T N 0.672 115.085 114.554 -0.235 0.000 2.614 26 T HA -0.018 4.332 4.350 0.000 0.000 0.263 26 T C 0.543 174.969 174.700 -0.456 0.000 1.055 26 T CA 1.237 63.073 62.100 -0.441 0.000 1.162 26 T CB -0.307 68.087 68.868 -0.791 0.000 0.863 26 T HN 0.291 nan 8.240 nan 0.000 0.414 27 Y N 0.859 121.087 120.300 -0.120 0.000 2.458 27 Y HA 0.400 4.950 4.550 0.000 0.000 0.322 27 Y C 0.618 176.473 175.900 -0.075 0.000 1.259 27 Y CA -1.334 56.706 58.100 -0.100 0.000 1.302 27 Y CB 0.479 38.864 38.460 -0.126 0.000 1.314 27 Y HN 0.023 nan 8.280 nan 0.000 0.509 28 E N 1.745 122.023 120.200 0.131 0.000 1.791 28 E HA 0.236 4.586 4.350 0.000 0.000 0.263 28 E C -1.114 175.499 176.600 0.022 0.000 1.213 28 E CA 0.202 56.639 56.400 0.063 0.000 0.991 28 E CB -0.348 29.382 29.700 0.049 0.000 1.068 28 E HN 0.313 nan 8.360 nan 0.000 0.417 29 I N 2.279 122.878 120.570 0.048 0.000 2.509 29 I HA 0.279 4.449 4.170 0.000 0.000 0.293 29 I C -0.646 175.554 176.117 0.139 0.000 1.020 29 I CA -1.100 60.235 61.300 0.057 0.000 1.088 29 I CB 2.072 40.072 38.000 0.001 0.000 1.267 29 I HN 0.048 nan 8.210 nan 0.000 0.430 30 V N 6.907 126.984 119.914 0.272 0.000 2.378 30 V HA 0.358 4.478 4.120 0.000 0.000 0.288 30 V C 0.181 176.516 176.094 0.402 0.000 1.016 30 V CA -0.580 61.926 62.300 0.343 0.000 0.840 30 V CB 1.586 33.693 31.823 0.473 0.000 0.994 30 V HN 0.499 nan 8.190 nan 0.000 0.431 31 L N 3.628 125.033 121.223 0.304 0.000 2.439 31 L HA 0.133 4.473 4.340 0.000 0.000 0.269 31 L C 0.462 177.682 176.870 0.583 0.000 1.179 31 L CA 0.341 55.392 54.840 0.352 0.000 0.828 31 L CB 0.921 43.080 42.059 0.167 0.000 1.106 31 L HN 0.726 nan 8.230 nan 0.000 0.467 32 W N 0.221 121.708 121.300 0.311 0.000 2.922 32 W HA 0.165 4.825 4.660 0.000 0.000 0.260 32 W C 0.534 177.178 176.519 0.208 0.000 1.088 32 W CA 0.008 57.587 57.345 0.389 0.000 1.694 32 W CB 0.298 30.024 29.460 0.443 0.000 1.064 32 W HN 0.371 nan 8.180 nan 0.000 0.611 33 Q N 1.118 121.145 119.800 0.379 0.000 2.269 33 Q HA 0.253 4.593 4.340 0.000 0.000 0.263 33 Q C -2.718 173.285 176.000 0.004 0.000 0.983 33 Q CA -1.912 53.940 55.803 0.081 0.000 0.777 33 Q CB 2.829 31.562 28.738 -0.009 0.000 1.273 33 Q HN -0.253 nan 8.270 nan 0.000 0.440 34 P HA 0.074 nan 4.420 nan 0.000 0.289 34 P C 0.734 177.978 177.300 -0.094 0.000 1.299 34 P CA -0.374 62.644 63.100 -0.137 0.000 0.766 34 P CB 0.708 32.273 31.700 -0.225 0.000 1.226 35 V N -2.012 117.784 119.914 -0.197 0.000 2.407 35 V HA -0.079 4.041 4.120 0.000 0.000 0.248 35 V C 1.322 177.357 176.094 -0.098 0.000 1.055 35 V CA 2.312 64.532 62.300 -0.133 0.000 1.049 35 V CB -1.799 29.904 31.823 -0.201 0.000 0.662 35 V HN 0.795 nan 8.190 nan 0.000 0.455 36 T N -3.989 110.482 114.554 -0.140 0.000 2.896 36 T HA 0.752 5.102 4.350 0.000 0.000 0.297 36 T C 0.711 175.346 174.700 -0.107 0.000 1.108 36 T CA -0.085 61.953 62.100 -0.104 0.000 1.004 36 T CB 2.159 70.962 68.868 -0.109 0.000 1.159 36 T HN 0.131 nan 8.240 nan 0.000 0.499 37 A N 1.005 123.771 122.820 -0.090 0.000 1.940 37 A HA -0.071 4.249 4.320 0.000 0.000 0.219 37 A C 1.878 179.405 177.584 -0.095 0.000 1.176 37 A CA 2.344 54.323 52.037 -0.096 0.000 0.631 37 A CB -1.443 17.500 19.000 -0.095 0.000 0.814 37 A HN 1.102 nan 8.150 nan 0.000 0.446 38 D N -0.111 120.234 120.400 -0.092 0.000 2.248 38 D HA -0.215 4.425 4.640 0.000 0.000 0.191 38 D C 1.249 177.491 176.300 -0.097 0.000 1.013 38 D CA 1.747 55.694 54.000 -0.088 0.000 0.883 38 D CB -0.257 40.491 40.800 -0.087 0.000 0.915 38 D HN 0.448 nan 8.370 nan 0.000 0.448 39 L N 0.079 121.227 121.223 -0.126 0.000 2.741 39 L HA 0.289 4.629 4.340 0.000 0.000 0.237 39 L C 0.118 176.919 176.870 -0.116 0.000 1.178 39 L CA -0.447 54.309 54.840 -0.139 0.000 0.973 39 L CB 0.155 42.075 42.059 -0.232 0.000 1.255 39 L HN 0.077 nan 8.230 nan 0.000 0.498 40 I N 1.773 122.285 120.570 -0.096 0.000 2.421 40 I HA 0.056 4.226 4.170 0.000 0.000 0.291 40 I C 0.247 176.327 176.117 -0.063 0.000 1.089 40 I CA -0.148 61.105 61.300 -0.079 0.000 1.354 40 I CB 0.611 38.566 38.000 -0.075 0.000 1.413 40 I HN -0.088 nan 8.210 nan 0.000 0.513 41 V N 3.768 123.648 119.914 -0.056 0.000 2.732 41 V HA 0.446 4.566 4.120 0.000 0.000 0.310 41 V C 1.013 177.087 176.094 -0.034 0.000 1.053 41 V CA -0.831 61.443 62.300 -0.043 0.000 0.957 41 V CB 1.755 33.554 31.823 -0.041 0.000 1.018 41 V HN 0.690 nan 8.190 nan 0.000 0.452 42 K N 1.284 121.668 120.400 -0.027 0.000 1.975 42 K HA -0.203 4.117 4.320 0.000 0.000 0.230 42 K C 1.696 178.287 176.600 -0.016 0.000 1.044 42 K CA 2.662 58.937 56.287 -0.020 0.000 1.022 42 K CB -0.350 32.140 32.500 -0.016 0.000 0.739 42 K HN 0.724 nan 8.250 nan 0.000 0.446 43 K N 1.039 121.430 120.400 -0.014 0.000 2.574 43 K HA -0.013 4.307 4.320 0.000 0.000 0.193 43 K C 0.168 176.761 176.600 -0.012 0.000 1.035 43 K CA 0.531 56.812 56.287 -0.010 0.000 0.982 43 K CB 0.155 32.650 32.500 -0.009 0.000 0.795 43 K HN 0.079 nan 8.250 nan 0.000 0.491 44 K N 1.235 121.624 120.400 -0.019 0.000 2.098 44 K HA 0.150 4.470 4.320 0.000 0.000 0.258 44 K C -0.343 176.239 176.600 -0.031 0.000 0.973 44 K CA -0.435 55.835 56.287 -0.028 0.000 0.898 44 K CB 1.480 33.955 32.500 -0.041 0.000 1.057 44 K HN -0.005 nan 8.250 nan 0.000 0.447 45 Q N 1.522 121.294 119.800 -0.046 0.000 2.279 45 Q HA 0.242 4.582 4.340 0.000 0.000 0.256 45 Q C -1.019 174.906 176.000 -0.125 0.000 0.937 45 Q CA -0.485 55.291 55.803 -0.044 0.000 0.933 45 Q CB 0.976 29.703 28.738 -0.018 0.000 1.189 45 Q HN 0.232 nan 8.270 nan 0.000 0.417 46 V N 4.927 124.838 119.914 -0.005 0.000 2.394 46 V HA 0.318 4.438 4.120 0.000 0.000 0.282 46 V C -0.662 175.577 176.094 0.242 0.000 1.031 46 V CA -0.594 61.738 62.300 0.053 0.000 0.881 46 V CB 1.198 33.098 31.823 0.128 0.000 0.982 46 V HN 0.828 nan 8.190 nan 0.000 0.451 47 H N 5.268 124.478 119.070 0.233 0.000 2.469 47 H HA 0.751 5.307 4.556 0.000 0.000 0.342 47 H C -0.843 174.648 175.328 0.271 0.000 1.115 47 H CA -0.637 55.511 56.048 0.167 0.000 1.204 47 H CB 1.735 31.631 29.762 0.222 0.000 1.492 47 H HN 0.675 nan 8.280 nan 0.000 0.499 48 F N 0.591 120.528 119.950 -0.022 0.000 2.703 48 F HA 0.366 4.893 4.527 0.000 0.000 0.308 48 F C -1.970 173.643 175.800 -0.311 0.000 1.126 48 F CA -1.601 56.326 58.000 -0.122 0.000 0.959 48 F CB 0.824 39.815 39.000 -0.016 0.000 1.297 48 F HN 0.367 nan 8.300 nan 0.000 0.441 49 F N 2.778 122.549 119.950 -0.297 0.000 2.399 49 F HA 0.812 5.339 4.527 0.000 0.000 0.334 49 F C -1.374 174.423 175.800 -0.005 0.000 1.097 49 F CA -1.083 56.735 58.000 -0.303 0.000 1.076 49 F CB 1.605 40.475 39.000 -0.216 0.000 1.162 49 F HN 0.429 nan 8.300 nan 0.000 0.495 50 V N 5.393 124.734 119.914 -0.955 0.000 2.444 50 V HA 0.218 4.339 4.120 0.000 0.000 0.294 50 V C -0.240 175.198 176.094 -1.093 0.000 1.022 50 V CA -1.162 60.683 62.300 -0.758 0.000 0.850 50 V CB 1.210 32.835 31.823 -0.330 0.000 0.992 50 V HN 0.853 nan 8.190 nan 0.000 0.426 51 N N 3.182 121.386 118.700 -0.827 0.000 2.345 51 N HA 0.107 4.848 4.740 0.000 0.000 0.243 51 N C 1.306 176.687 175.510 -0.215 0.000 1.246 51 N CA 0.877 53.694 53.050 -0.388 0.000 0.863 51 N CB 1.276 39.698 38.487 -0.108 0.000 1.096 51 N HN 0.817 nan 8.380 nan 0.000 0.446 52 A N 2.478 125.248 122.820 -0.083 0.000 1.869 52 A HA -0.270 4.050 4.320 0.000 0.000 0.218 52 A C 2.241 179.788 177.584 -0.062 0.000 1.203 52 A CA 2.696 54.699 52.037 -0.057 0.000 0.638 52 A CB -1.640 17.357 19.000 -0.005 0.000 0.831 52 A HN 0.896 nan 8.150 nan 0.000 0.450 53 S N -0.025 115.654 115.700 -0.034 0.000 2.399 53 S HA -0.256 4.214 4.470 0.000 0.000 0.235 53 S C 1.118 175.695 174.600 -0.040 0.000 1.063 53 S CA 1.857 60.045 58.200 -0.021 0.000 1.070 53 S CB -0.584 62.619 63.200 0.005 0.000 0.904 53 S HN 0.611 nan 8.310 nan 0.000 0.456 54 D N 0.357 120.713 120.400 -0.074 0.000 2.369 54 D HA 0.284 4.924 4.640 0.000 0.000 0.211 54 D C 1.776 177.947 176.300 -0.216 0.000 1.077 54 D CA 0.107 54.031 54.000 -0.127 0.000 0.842 54 D CB 0.318 41.063 40.800 -0.092 0.000 0.947 54 D HN 0.323 nan 8.370 nan 0.000 0.509 55 V N 1.523 121.335 119.914 -0.170 0.000 2.252 55 V HA -0.260 3.860 4.120 0.000 0.000 0.249 55 V C 1.962 177.965 176.094 -0.152 0.000 1.056 55 V CA 1.813 64.011 62.300 -0.170 0.000 1.022 55 V CB -0.279 31.460 31.823 -0.141 0.000 0.641 55 V HN 0.107 nan 8.190 nan 0.000 0.445 56 D N -0.068 120.261 120.400 -0.119 0.000 2.144 56 D HA -0.117 4.523 4.640 0.000 0.000 0.200 56 D C 2.097 178.338 176.300 -0.098 0.000 0.978 56 D CA 1.132 55.078 54.000 -0.090 0.000 0.833 56 D CB -0.444 40.320 40.800 -0.061 0.000 0.961 56 D HN 0.530 nan 8.370 nan 0.000 0.470 57 N N 0.565 119.180 118.700 -0.141 0.000 2.084 57 N HA -0.103 4.637 4.740 0.000 0.000 0.190 57 N C 2.069 177.459 175.510 -0.200 0.000 1.030 57 N CA 0.809 53.773 53.050 -0.144 0.000 0.849 57 N CB -0.105 38.253 38.487 -0.215 0.000 1.012 57 N HN 0.090 nan 8.380 nan 0.000 0.423 58 V N 1.937 121.613 119.914 -0.397 0.000 2.358 58 V HA -0.189 3.931 4.120 0.000 0.000 0.246 58 V C 2.224 178.267 176.094 -0.085 0.000 1.047 58 V CA 1.536 63.628 62.300 -0.347 0.000 1.035 58 V CB -0.454 31.178 31.823 -0.318 0.000 0.658 58 V HN 0.248 nan 8.190 nan 0.000 0.452 59 K N 0.485 120.838 120.400 -0.078 0.000 2.057 59 K HA -0.107 4.213 4.320 0.000 0.000 0.207 59 K C 2.354 178.949 176.600 -0.010 0.000 1.049 59 K CA 1.426 57.692 56.287 -0.035 0.000 0.931 59 K CB -0.495 31.971 32.500 -0.057 0.000 0.714 59 K HN 0.459 nan 8.250 nan 0.000 0.440 60 A N 1.446 124.257 122.820 -0.015 0.000 1.892 60 A HA -0.245 4.075 4.320 0.000 0.000 0.218 60 A C 1.922 179.496 177.584 -0.016 0.000 1.188 60 A CA 1.588 53.613 52.037 -0.020 0.000 0.631 60 A CB -0.877 18.108 19.000 -0.026 0.000 0.822 60 A HN 0.337 nan 8.150 nan 0.000 0.447 61 H N -0.559 118.487 119.070 -0.040 0.000 2.353 61 H HA -0.059 4.497 4.556 0.000 0.000 0.300 61 H C 2.085 177.409 175.328 -0.005 0.000 1.090 61 H CA 1.758 57.802 56.048 -0.006 0.000 1.327 61 H CB -0.134 29.639 29.762 0.018 0.000 1.383 61 H HN 0.408 nan 8.280 nan 0.000 0.508 62 L N 0.361 121.652 121.223 0.114 0.000 2.109 62 L HA -0.159 4.181 4.340 0.000 0.000 0.207 62 L C 2.465 179.354 176.870 0.032 0.000 1.086 62 L CA 0.775 55.657 54.840 0.070 0.000 0.760 62 L CB -0.380 41.720 42.059 0.069 0.000 0.910 62 L HN 0.218 nan 8.230 nan 0.000 0.437 63 N N 0.426 119.133 118.700 0.012 0.000 2.084 63 N HA -0.156 4.584 4.740 0.000 0.000 0.190 63 N C 1.763 177.265 175.510 -0.014 0.000 1.030 63 N CA 1.349 54.395 53.050 -0.007 0.000 0.849 63 N CB -0.236 38.240 38.487 -0.018 0.000 1.012 63 N HN 0.002 nan 8.380 nan 0.000 0.423 64 V N -0.040 119.857 119.914 -0.028 0.000 2.407 64 V HA -0.133 3.987 4.120 0.000 0.000 0.248 64 V C 1.735 177.816 176.094 -0.023 0.000 1.055 64 V CA 1.793 64.067 62.300 -0.044 0.000 1.049 64 V CB -0.471 31.293 31.823 -0.099 0.000 0.662 64 V HN 0.316 nan 8.190 nan 0.000 0.455 65 S N -0.554 115.145 115.700 -0.001 0.000 2.605 65 S HA 0.309 4.779 4.470 0.000 0.000 0.217 65 S C 1.430 176.035 174.600 0.008 0.000 0.958 65 S CA 0.613 58.819 58.200 0.011 0.000 0.919 65 S CB 0.405 63.626 63.200 0.035 0.000 0.780 65 S HN 0.894 nan 8.310 nan 0.000 0.507 66 G N 2.084 110.886 108.800 0.004 0.000 2.221 66 G HA2 -0.257 3.703 3.960 0.000 0.000 0.265 66 G HA3 -0.257 3.703 3.960 0.000 0.000 0.265 66 G C -0.114 174.790 174.900 0.007 0.000 1.041 66 G CA -0.058 45.044 45.100 0.002 0.000 0.807 66 G HN 0.543 nan 8.290 nan 0.000 0.502 67 I N 1.666 122.245 120.570 0.015 0.000 2.336 67 I HA 0.341 4.511 4.170 0.000 0.000 0.292 67 I C -1.442 174.688 176.117 0.021 0.000 0.991 67 I CA -2.499 58.813 61.300 0.021 0.000 1.227 67 I CB 1.553 39.573 38.000 0.034 0.000 1.366 67 I HN -0.062 nan 8.210 nan 0.000 0.466 68 P HA 0.091 nan 4.420 nan 0.000 0.272 68 P C -0.810 176.499 177.300 0.016 0.000 1.230 68 P CA -0.331 62.774 63.100 0.009 0.000 0.788 68 P CB 1.314 33.017 31.700 0.006 0.000 0.949 69 C N 2.040 121.339 119.300 -0.001 0.000 3.072 69 C HA 0.410 4.870 4.460 0.000 0.000 0.400 69 C C -0.604 174.358 174.990 -0.047 0.000 1.075 69 C CA -0.125 58.887 59.018 -0.010 0.000 1.272 69 C CB -0.283 27.459 27.740 0.004 0.000 1.670 69 C HN 0.738 nan 8.230 nan 0.000 0.516 70 S N 4.167 119.825 115.700 -0.071 0.000 2.578 70 S HA 0.833 5.304 4.470 0.000 0.000 0.301 70 S C -0.663 173.842 174.600 -0.159 0.000 1.091 70 S CA -0.695 57.444 58.200 -0.101 0.000 1.032 70 S CB 1.686 64.831 63.200 -0.093 0.000 1.064 70 S HN 0.951 nan 8.310 nan 0.000 0.508 71 V N 3.174 122.992 119.914 -0.160 0.000 2.432 71 V HA 0.184 4.304 4.120 0.000 0.000 0.271 71 V C 0.486 176.452 176.094 -0.214 0.000 1.046 71 V CA -0.385 61.796 62.300 -0.199 0.000 0.945 71 V CB 0.772 32.498 31.823 -0.162 0.000 0.992 71 V HN 0.852 nan 8.190 nan 0.000 0.471 72 L N 5.779 126.836 121.223 -0.277 0.000 2.168 72 L HA 0.298 4.639 4.340 0.000 0.000 0.203 72 L C 0.442 177.144 176.870 -0.280 0.000 1.078 72 L CA 1.473 56.132 54.840 -0.301 0.000 0.780 72 L CB -0.126 41.699 42.059 -0.390 0.000 0.939 72 L HN 0.438 nan 8.230 nan 0.000 0.451 73 L N -1.683 119.386 121.223 -0.255 0.000 2.441 73 L HA 0.444 4.784 4.340 0.000 0.000 0.270 73 L C 0.593 177.380 176.870 -0.140 0.000 0.973 73 L CA -0.263 54.468 54.840 -0.182 0.000 0.842 73 L CB 1.766 43.740 42.059 -0.141 0.000 1.239 73 L HN -0.120 nan 8.230 nan 0.000 0.406 74 A N 1.283 124.041 122.820 -0.104 0.000 2.081 74 A HA 0.041 4.361 4.320 0.000 0.000 0.214 74 A C 0.532 178.085 177.584 -0.052 0.000 1.158 74 A CA 0.843 52.830 52.037 -0.085 0.000 0.724 74 A CB 0.005 18.961 19.000 -0.074 0.000 0.826 74 A HN 0.675 nan 8.150 nan 0.000 0.463 75 D N -0.634 119.748 120.400 -0.031 0.000 2.364 75 D HA 0.319 4.960 4.640 0.000 0.000 0.251 75 D C 0.742 177.048 176.300 0.009 0.000 1.282 75 D CA -0.259 53.737 54.000 -0.006 0.000 0.927 75 D CB 0.968 41.766 40.800 -0.004 0.000 1.267 75 D HN -0.121 nan 8.370 nan 0.000 0.531 76 V N 2.732 122.661 119.914 0.026 0.000 2.287 76 V HA -0.211 3.909 4.120 0.000 0.000 0.248 76 V C 2.372 178.463 176.094 -0.004 0.000 1.053 76 V CA 2.206 64.519 62.300 0.023 0.000 1.027 76 V CB -0.317 31.546 31.823 0.067 0.000 0.646 76 V HN 0.621 nan 8.190 nan 0.000 0.447 77 E N -0.336 119.872 120.200 0.013 0.000 2.130 77 E HA -0.323 4.028 4.350 0.000 0.000 0.196 77 E C 2.042 178.634 176.600 -0.013 0.000 0.998 77 E CA 1.802 58.200 56.400 -0.003 0.000 0.806 77 E CB -0.221 29.487 29.700 0.013 0.000 0.738 77 E HN 0.714 nan 8.360 nan 0.000 0.459 78 D N 0.212 120.611 120.400 -0.002 0.000 2.077 78 D HA -0.158 4.482 4.640 0.000 0.000 0.196 78 D C 2.338 178.636 176.300 -0.003 0.000 0.986 78 D CA 0.970 54.972 54.000 0.003 0.000 0.829 78 D CB -0.118 40.689 40.800 0.013 0.000 0.983 78 D HN 0.252 nan 8.370 nan 0.000 0.453 79 L N 0.860 122.083 121.223 0.000 0.000 2.021 79 L HA -0.240 4.100 4.340 0.000 0.000 0.215 79 L C 2.693 179.525 176.870 -0.062 0.000 1.074 79 L CA 1.041 55.879 54.840 -0.004 0.000 0.760 79 L CB -0.314 41.759 42.059 0.023 0.000 0.889 79 L HN 0.164 nan 8.230 nan 0.000 0.433 80 I N -1.263 119.242 120.570 -0.108 0.000 2.286 80 I HA -0.289 3.881 4.170 0.000 0.000 0.248 80 I C 2.626 178.674 176.117 -0.116 0.000 1.115 80 I CA 0.900 62.087 61.300 -0.187 0.000 1.392 80 I CB -0.373 37.506 38.000 -0.202 0.000 1.065 80 I HN 0.376 nan 8.210 nan 0.000 0.418 81 Q N 0.775 120.543 119.800 -0.053 0.000 2.050 81 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 81 Q C 2.242 178.250 176.000 0.014 0.000 0.980 81 Q CA 1.633 57.429 55.803 -0.012 0.000 0.840 81 Q CB -0.390 28.350 28.738 0.003 0.000 0.898 81 Q HN 0.649 nan 8.270 nan 0.000 0.424 82 Q N 0.287 120.096 119.800 0.015 0.000 2.084 82 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 82 Q C 2.133 178.177 176.000 0.074 0.000 0.978 82 Q CA 1.016 56.844 55.803 0.040 0.000 0.844 82 Q CB -0.197 28.561 28.738 0.035 0.000 0.898 82 Q HN 0.456 nan 8.270 nan 0.000 0.426 83 Q N 0.497 120.333 119.800 0.059 0.000 2.084 83 Q HA -0.113 4.228 4.340 0.000 0.000 0.202 83 Q C 2.084 178.179 176.000 0.158 0.000 0.978 83 Q CA 1.065 56.954 55.803 0.143 0.000 0.844 83 Q CB -0.037 28.692 28.738 -0.015 0.000 0.898 83 Q HN 0.450 nan 8.270 nan 0.000 0.426 84 I N 0.693 121.284 120.570 0.035 0.000 2.830 84 I HA -0.185 3.985 4.170 0.000 0.000 0.263 84 I C 2.422 178.683 176.117 0.239 0.000 1.230 84 I CA 0.703 62.040 61.300 0.062 0.000 1.480 84 I CB -0.142 37.870 38.000 0.020 0.000 1.095 84 I HN 0.197 nan 8.210 nan 0.000 0.455 85 S N 0.821 116.617 115.700 0.161 0.000 2.371 85 S HA -0.102 4.368 4.470 0.000 0.000 0.224 85 S C 1.508 176.193 174.600 0.142 0.000 1.029 85 S CA 1.054 59.337 58.200 0.138 0.000 0.978 85 S CB -0.602 62.652 63.200 0.089 0.000 0.833 85 S HN 0.398 nan 8.310 nan 0.000 0.466 86 N N 2.138 120.925 118.700 0.145 0.000 2.461 86 N HA 0.146 4.886 4.740 0.000 0.000 0.188 86 N C -0.205 175.396 175.510 0.152 0.000 1.134 86 N CA 0.363 53.482 53.050 0.115 0.000 0.878 86 N CB -0.318 38.213 38.487 0.073 0.000 0.972 86 N HN 0.489 nan 8.380 nan 0.000 0.456 87 D N 0.962 121.507 120.400 0.242 0.000 2.583 87 D HA -0.021 4.619 4.640 0.000 0.000 0.232 87 D C 0.951 177.297 176.300 0.076 0.000 1.128 87 D CA 0.976 55.123 54.000 0.245 0.000 0.859 87 D CB 0.282 41.242 40.800 0.266 0.000 1.169 87 D HN 0.203 nan 8.370 nan 0.000 0.481 88 T N 1.912 116.435 114.554 -0.052 0.000 12.568 88 T HA -0.308 4.042 4.350 0.000 0.000 0.520 88 T C 1.142 175.848 174.700 0.010 0.000 1.354 88 T CA 2.663 64.737 62.100 -0.044 0.000 2.810 88 T CB -1.283 67.570 68.868 -0.024 0.000 2.662 88 T HN 1.165 nan 8.240 nan 0.000 0.255 89 V N -1.665 118.259 119.914 0.017 0.000 0.568 89 V HA -0.257 3.863 4.120 0.000 0.000 0.092 89 V C 0.919 177.027 176.094 0.023 0.000 1.963 89 V CA 3.247 65.562 62.300 0.026 0.000 3.453 89 V CB -2.276 29.570 31.823 0.040 0.000 0.745 89 V HN 2.133 nan 8.190 nan 0.000 0.773 90 S N 2.405 118.129 115.700 0.039 0.000 2.621 90 S HA 0.818 5.288 4.470 0.000 0.000 0.302 90 S C -2.611 172.017 174.600 0.047 0.000 1.093 90 S CA -1.110 57.116 58.200 0.044 0.000 1.017 90 S CB 2.136 65.373 63.200 0.062 0.000 1.077 90 S HN 0.596 nan 8.310 nan 0.000 0.517 91 P HA 0.327 nan 4.420 nan 0.000 0.273 91 P C 0.032 177.172 177.300 -0.267 0.000 1.250 91 P CA -0.625 62.405 63.100 -0.116 0.000 0.793 91 P CB 0.612 32.253 31.700 -0.099 0.000 1.011 92 R N 0.268 120.433 120.500 -0.559 0.000 2.313 92 R HA 0.147 4.488 4.340 0.000 0.000 0.199 92 R C 1.341 176.955 176.300 -1.143 0.000 0.958 92 R CA 0.882 56.303 56.100 -1.131 0.000 1.047 92 R CB -0.440 29.096 30.300 -1.272 0.000 0.955 92 R HN 0.553 nan 8.270 nan 0.000 0.481 93 A N -0.354 122.155 122.820 -0.518 0.000 2.287 93 A HA 0.151 4.472 4.320 0.000 0.000 0.214 93 A C 0.501 178.084 177.584 -0.002 0.000 1.228 93 A CA -0.071 51.913 52.037 -0.088 0.000 0.939 93 A CB 0.321 19.443 19.000 0.204 0.000 0.992 93 A HN 0.308 nan 8.150 nan 0.000 0.502 94 S N 0.152 115.816 115.700 -0.060 0.000 2.563 94 S HA 0.363 4.833 4.470 0.000 0.000 0.284 94 S C 1.444 176.131 174.600 0.146 0.000 1.331 94 S CA 0.027 58.255 58.200 0.046 0.000 1.047 94 S CB 0.996 64.215 63.200 0.033 0.000 0.859 94 S HN 1.195 nan 8.310 nan 0.000 0.514 95 A N 2.808 125.710 122.820 0.137 0.000 1.944 95 A HA -0.252 4.068 4.320 0.000 0.000 0.222 95 A C 2.502 180.213 177.584 0.211 0.000 1.237 95 A CA 2.789 54.927 52.037 0.167 0.000 0.668 95 A CB -1.735 17.327 19.000 0.103 0.000 0.830 95 A HN 1.529 nan 8.150 nan 0.000 0.471 96 S N -2.801 112.984 115.700 0.143 0.000 2.478 96 S HA -0.076 4.394 4.470 0.000 0.000 0.222 96 S C 1.767 176.422 174.600 0.090 0.000 1.008 96 S CA 0.889 59.155 58.200 0.109 0.000 0.928 96 S CB -0.705 62.537 63.200 0.070 0.000 0.781 96 S HN 0.626 nan 8.310 nan 0.000 0.518 97 Y N 1.760 122.020 120.300 -0.066 0.000 2.241 97 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 97 Y C 1.329 177.116 175.900 -0.187 0.000 1.166 97 Y CA 1.724 59.739 58.100 -0.142 0.000 1.203 97 Y CB -0.453 37.801 38.460 -0.342 0.000 0.977 97 Y HN 0.330 nan 8.280 nan 0.000 0.529 98 Y N 0.193 120.576 120.300 0.139 0.000 2.529 98 Y HA 0.081 4.631 4.550 0.000 0.000 0.290 98 Y C 0.976 176.893 175.900 0.028 0.000 1.177 98 Y CA 0.515 58.635 58.100 0.033 0.000 1.305 98 Y CB -0.110 38.355 38.460 0.009 0.000 1.047 98 Y HN 0.227 nan 8.280 nan 0.000 0.522 99 E N 0.060 120.297 120.200 0.062 0.000 2.585 99 E HA 0.175 4.525 4.350 0.000 0.000 0.206 99 E C -0.412 176.063 176.600 -0.209 0.000 1.007 99 E CA -0.027 56.359 56.400 -0.022 0.000 1.028 99 E CB 0.321 30.044 29.700 0.039 0.000 1.087 99 E HN 0.405 nan 8.360 nan 0.000 0.455 100 Q N 0.076 119.655 119.800 -0.368 0.000 2.345 100 Q HA 0.333 4.673 4.340 0.000 0.000 0.275 100 Q C -1.304 174.249 176.000 -0.746 0.000 1.063 100 Q CA -0.866 54.672 55.803 -0.441 0.000 0.819 100 Q CB 1.809 30.407 28.738 -0.234 0.000 1.356 100 Q HN 0.136 nan 8.270 nan 0.000 0.418 101 Y N 1.274 121.432 120.300 -0.237 0.000 2.346 101 Y HA 0.251 4.801 4.550 0.000 0.000 0.330 101 Y C 0.339 176.178 175.900 -0.101 0.000 1.178 101 Y CA 0.172 58.187 58.100 -0.142 0.000 1.331 101 Y CB 0.621 39.198 38.460 0.195 0.000 1.253 101 Y HN 0.463 nan 8.280 nan 0.000 0.529 102 H N -0.764 118.422 119.070 0.193 0.000 2.747 102 H HA 0.387 4.944 4.556 0.000 0.000 0.371 102 H C -0.435 174.554 175.328 -0.564 0.000 1.161 102 H CA -1.436 54.522 56.048 -0.151 0.000 1.167 102 H CB 1.634 31.225 29.762 -0.286 0.000 1.732 102 H HN 0.629 nan 8.280 nan 0.000 0.544 103 S N 0.667 115.812 115.700 -0.925 0.000 2.600 103 S HA 0.037 4.508 4.470 0.000 0.000 0.265 103 S C 1.446 175.721 174.600 -0.543 0.000 1.325 103 S CA -0.695 56.693 58.200 -1.354 0.000 1.002 103 S CB 1.015 63.583 63.200 -1.053 0.000 0.921 103 S HN 0.513 nan 8.310 nan 0.000 0.554 104 L N 1.603 122.557 121.223 -0.448 0.000 2.043 104 L HA -0.144 4.196 4.340 0.000 0.000 0.212 104 L C 1.884 178.649 176.870 -0.175 0.000 1.075 104 L CA 1.998 56.700 54.840 -0.229 0.000 0.752 104 L CB -1.520 40.432 42.059 -0.178 0.000 0.891 104 L HN 0.814 nan 8.230 nan 0.000 0.432 105 N N -0.879 117.776 118.700 -0.074 0.000 2.142 105 N HA -0.206 4.534 4.740 0.000 0.000 0.186 105 N C 1.772 177.325 175.510 0.073 0.000 1.023 105 N CA 1.104 54.217 53.050 0.106 0.000 0.852 105 N CB -0.134 38.395 38.487 0.071 0.000 0.998 105 N HN 0.387 nan 8.380 nan 0.000 0.424 106 E N 0.949 121.114 120.200 -0.059 0.000 2.085 106 E HA -0.114 4.236 4.350 0.000 0.000 0.194 106 E C 1.624 178.272 176.600 0.079 0.000 0.994 106 E CA 1.184 57.560 56.400 -0.041 0.000 0.801 106 E CB -0.273 29.317 29.700 -0.184 0.000 0.743 106 E HN 0.416 nan 8.360 nan 0.000 0.453 107 I N -0.643 119.953 120.570 0.044 0.000 2.202 107 I HA -0.266 3.905 4.170 0.000 0.000 0.242 107 I C 1.964 178.252 176.117 0.285 0.000 1.091 107 I CA 1.140 62.531 61.300 0.150 0.000 1.368 107 I CB -0.422 37.566 38.000 -0.020 0.000 1.058 107 I HN 0.162 nan 8.210 nan 0.000 0.410 108 Y N 1.056 121.486 120.300 0.218 0.000 2.193 108 Y HA -0.332 4.218 4.550 0.000 0.000 0.285 108 Y C 2.983 178.987 175.900 0.173 0.000 1.166 108 Y CA 1.501 59.739 58.100 0.230 0.000 1.181 108 Y CB -0.194 38.406 38.460 0.232 0.000 0.976 108 Y HN 0.306 nan 8.280 nan 0.000 0.520 109 S N -1.624 114.271 115.700 0.326 0.000 2.446 109 S HA -0.186 4.284 4.470 0.000 0.000 0.225 109 S C 1.561 176.291 174.600 0.217 0.000 1.016 109 S CA 0.357 58.683 58.200 0.209 0.000 0.943 109 S CB -0.925 62.362 63.200 0.145 0.000 0.786 109 S HN 0.647 nan 8.310 nan 0.000 0.508 110 W N 3.720 125.068 121.300 0.079 0.000 2.374 110 W HA 0.015 4.675 4.660 0.001 0.000 0.288 110 W C 1.911 178.512 176.519 0.137 0.000 1.218 110 W CA 1.296 58.693 57.345 0.086 0.000 1.245 110 W CB -0.155 29.370 29.460 0.109 0.000 1.126 110 W HN 0.401 nan 8.180 nan 0.000 0.545 111 I N -0.945 119.710 120.570 0.142 0.000 2.439 111 I HA -0.181 3.990 4.170 0.000 0.000 0.251 111 I C 1.945 177.912 176.117 -0.251 0.000 1.139 111 I CA 1.584 62.760 61.300 -0.207 0.000 1.438 111 I CB -0.717 37.302 38.000 0.033 0.000 1.085 111 I HN -0.108 nan 8.210 nan 0.000 0.427 112 E N 1.502 121.644 120.200 -0.097 0.000 2.058 112 E HA -0.245 4.105 4.350 0.000 0.000 0.194 112 E C 1.980 178.513 176.600 -0.113 0.000 0.997 112 E CA 1.697 58.039 56.400 -0.096 0.000 0.801 112 E CB -0.703 28.991 29.700 -0.010 0.000 0.746 112 E HN 0.684 nan 8.360 nan 0.000 0.450 113 F N 0.931 120.739 119.950 -0.237 0.000 2.069 113 F HA -0.235 4.292 4.527 0.001 0.000 0.298 113 F C 2.217 177.819 175.800 -0.330 0.000 1.113 113 F CA 1.313 59.163 58.000 -0.251 0.000 1.214 113 F CB -0.101 38.752 39.000 -0.245 0.000 0.978 113 F HN -0.018 nan 8.300 nan 0.000 0.474 114 I N -0.055 120.185 120.570 -0.551 0.000 2.353 114 I HA -0.223 3.947 4.170 0.000 0.000 0.248 114 I C 2.525 178.338 176.117 -0.506 0.000 1.119 114 I CA 1.752 62.638 61.300 -0.690 0.000 1.417 114 I CB -1.343 36.085 38.000 -0.953 0.000 1.078 114 I HN 0.280 nan 8.210 nan 0.000 0.421 115 T N 0.314 114.621 114.554 -0.412 0.000 2.821 115 T HA -0.157 4.193 4.350 0.000 0.000 0.267 115 T C 1.631 176.208 174.700 -0.205 0.000 1.046 115 T CA 1.400 63.340 62.100 -0.266 0.000 1.139 115 T CB 0.020 68.751 68.868 -0.228 0.000 0.871 115 T HN 0.412 nan 8.240 nan 0.000 0.454 116 E N -0.006 120.054 120.200 -0.233 0.000 2.299 116 E HA 0.015 4.365 4.350 0.000 0.000 0.193 116 E C 2.345 178.818 176.600 -0.212 0.000 0.998 116 E CA 0.316 56.601 56.400 -0.191 0.000 0.851 116 E CB 0.031 29.627 29.700 -0.174 0.000 0.795 116 E HN 0.356 nan 8.360 nan 0.000 0.492 117 R N 0.567 120.895 120.500 -0.287 0.000 2.127 117 R HA -0.018 4.322 4.340 0.000 0.000 0.217 117 R C 0.506 176.791 176.300 -0.025 0.000 1.074 117 R CA 0.884 56.850 56.100 -0.223 0.000 0.991 117 R CB 0.328 30.379 30.300 -0.416 0.000 0.895 117 R HN 0.232 nan 8.270 nan 0.000 0.450 118 H N -0.375 118.530 119.070 -0.274 0.000 2.386 118 H HA 0.208 4.765 4.556 0.000 0.000 0.232 118 H C -2.114 173.107 175.328 -0.179 0.000 1.416 118 H CA -1.897 54.023 56.048 -0.214 0.000 1.285 118 H CB 1.735 31.368 29.762 -0.215 0.000 1.625 118 H HN 0.226 nan 8.280 nan 0.000 0.521 119 P HA -0.165 nan 4.420 nan 0.000 0.218 119 P C 1.408 178.671 177.300 -0.062 0.000 1.149 119 P CA 1.093 64.152 63.100 -0.068 0.000 0.817 119 P CB 0.214 31.870 31.700 -0.074 0.000 0.785 120 D N -1.951 118.401 120.400 -0.081 0.000 2.378 120 D HA -0.112 4.528 4.640 0.000 0.000 0.222 120 D C 1.521 177.754 176.300 -0.111 0.000 0.980 120 D CA 1.102 55.047 54.000 -0.091 0.000 0.907 120 D CB -0.515 40.218 40.800 -0.111 0.000 0.899 120 D HN 0.245 nan 8.370 nan 0.000 0.527 121 M N -0.868 118.673 119.600 -0.099 0.000 2.504 121 M HA 0.224 4.705 4.480 0.000 0.000 0.222 121 M C 0.154 176.415 176.300 -0.065 0.000 1.566 121 M CA 0.005 55.234 55.300 -0.118 0.000 1.099 121 M CB 1.311 33.821 32.600 -0.150 0.000 1.428 121 M HN -0.180 nan 8.290 nan 0.000 0.556 122 L N 1.248 122.438 121.223 -0.055 0.000 2.289 122 L HA 0.422 4.762 4.340 0.000 0.000 0.285 122 L C -0.713 176.139 176.870 -0.029 0.000 1.049 122 L CA -0.325 54.486 54.840 -0.048 0.000 0.804 122 L CB 1.560 43.557 42.059 -0.105 0.000 1.195 122 L HN 0.063 nan 8.230 nan 0.000 0.428 123 T N 2.495 117.057 114.554 0.014 0.000 2.861 123 T HA 0.317 4.668 4.350 0.000 0.000 0.287 123 T C -0.566 174.175 174.700 0.068 0.000 1.003 123 T CA -0.741 61.384 62.100 0.042 0.000 0.977 123 T CB 2.162 71.082 68.868 0.088 0.000 0.996 123 T HN 0.458 nan 8.240 nan 0.000 0.448 124 K N 3.939 124.362 120.400 0.039 0.000 2.182 124 K HA 0.736 5.056 4.320 0.000 0.000 0.262 124 K C -0.954 175.728 176.600 0.137 0.000 0.957 124 K CA -0.846 55.463 56.287 0.036 0.000 0.842 124 K CB 0.758 33.187 32.500 -0.117 0.000 1.099 124 K HN 0.752 nan 8.250 nan 0.000 0.438 125 I N 1.160 121.878 120.570 0.245 0.000 2.627 125 I HA 0.241 4.412 4.170 0.000 0.000 0.288 125 I C -1.074 175.280 176.117 0.395 0.000 1.202 125 I CA -0.914 60.575 61.300 0.316 0.000 1.050 125 I CB 1.725 39.905 38.000 0.300 0.000 1.264 125 I HN 0.690 nan 8.210 nan 0.000 0.429 126 H N 7.809 127.067 119.070 0.313 0.000 2.761 126 H HA 0.407 4.963 4.556 0.000 0.000 0.284 126 H C 0.113 175.528 175.328 0.144 0.000 1.105 126 H CA -0.337 55.849 56.048 0.229 0.000 1.352 126 H CB 1.775 31.659 29.762 0.204 0.000 1.423 126 H HN 0.929 nan 8.280 nan 0.000 0.464 127 I N 2.082 122.517 120.570 -0.225 0.000 3.883 127 I HA 0.471 4.641 4.170 0.000 0.000 0.326 127 I C 0.657 176.670 176.117 -0.175 0.000 1.283 127 I CA 0.177 61.434 61.300 -0.072 0.000 1.161 127 I CB 0.638 38.650 38.000 0.020 0.000 1.012 127 I HN 0.627 nan 8.210 nan 0.000 0.421 128 G N 0.032 108.510 108.800 -0.536 0.000 2.352 128 G HA2 0.342 4.302 3.960 0.000 0.000 0.283 128 G HA3 0.342 4.302 3.960 0.000 0.000 0.283 128 G C -1.464 173.277 174.900 -0.266 0.000 1.308 128 G CA -0.374 44.561 45.100 -0.274 0.000 0.892 128 G HN 0.111 nan 8.290 nan 0.000 0.504 129 S N -0.597 115.080 115.700 -0.038 0.000 2.541 129 S HA 0.781 5.251 4.470 0.000 0.000 0.280 129 S C 0.331 174.984 174.600 0.088 0.000 1.112 129 S CA 0.040 58.268 58.200 0.047 0.000 0.925 129 S CB 1.618 64.862 63.200 0.075 0.000 1.067 129 S HN 1.686 nan 8.310 nan 0.000 0.479 130 S N 1.356 117.150 115.700 0.157 0.000 2.617 130 S HA 0.344 4.814 4.470 0.000 0.000 0.259 130 S C 0.914 175.642 174.600 0.212 0.000 1.301 130 S CA -0.475 57.851 58.200 0.209 0.000 0.984 130 S CB -0.139 63.228 63.200 0.280 0.000 0.954 130 S HN 0.654 nan 8.310 nan 0.000 0.572 131 F N 1.223 121.234 119.950 0.101 0.000 2.202 131 F HA -0.044 4.483 4.527 0.000 0.000 0.301 131 F C 1.968 177.826 175.800 0.095 0.000 1.082 131 F CA 1.696 59.736 58.000 0.067 0.000 1.313 131 F CB -0.255 38.767 39.000 0.037 0.000 1.024 131 F HN 0.725 nan 8.300 nan 0.000 0.495 132 E N 0.442 120.832 120.200 0.317 0.000 2.359 132 E HA -0.006 4.344 4.350 0.000 0.000 0.187 132 E C 0.144 176.865 176.600 0.201 0.000 1.081 132 E CA 0.014 56.581 56.400 0.279 0.000 0.929 132 E CB -0.138 29.829 29.700 0.446 0.000 1.086 132 E HN 0.350 nan 8.360 nan 0.000 0.462 133 K N -0.377 120.085 120.400 0.103 0.000 3.088 133 K HA -0.242 4.078 4.320 0.000 0.000 0.273 133 K C -0.696 175.905 176.600 0.002 0.000 1.111 133 K CA 0.559 56.860 56.287 0.023 0.000 0.803 133 K CB -1.897 30.564 32.500 -0.067 0.000 1.226 133 K HN 0.274 nan 8.250 nan 0.000 0.485 134 Y N 0.971 121.320 120.300 0.081 0.000 2.301 134 Y HA 0.209 4.759 4.550 0.000 0.000 0.328 134 Y C -1.642 174.298 175.900 0.066 0.000 1.242 134 Y CA -2.158 55.997 58.100 0.092 0.000 1.323 134 Y CB 0.570 39.160 38.460 0.217 0.000 1.266 134 Y HN -0.040 nan 8.280 nan 0.000 0.527 135 P HA 0.163 nan 4.420 nan 0.000 0.279 135 P C -1.231 175.993 177.300 -0.126 0.000 1.239 135 P CA -0.054 63.009 63.100 -0.062 0.000 0.789 135 P CB 0.993 32.502 31.700 -0.319 0.000 0.933 136 L N 4.154 125.197 121.223 -0.299 0.000 2.272 136 L HA 0.415 4.755 4.340 0.000 0.000 0.289 136 L C -0.236 176.455 176.870 -0.298 0.000 1.032 136 L CA -0.767 53.964 54.840 -0.181 0.000 0.810 136 L CB 0.376 42.380 42.059 -0.092 0.000 1.205 136 L HN 0.321 nan 8.230 nan 0.000 0.422 137 Y N 2.239 122.623 120.300 0.140 0.000 2.393 137 Y HA 0.563 5.113 4.550 0.000 0.000 0.341 137 Y C 0.072 176.008 175.900 0.060 0.000 0.988 137 Y CA -0.949 57.227 58.100 0.127 0.000 1.078 137 Y CB 2.127 40.714 38.460 0.212 0.000 1.203 137 Y HN 0.160 nan 8.280 nan 0.000 0.453 138 V N 4.705 124.744 119.914 0.209 0.000 2.630 138 V HA 0.452 4.572 4.120 0.000 0.000 0.305 138 V C -0.352 175.839 176.094 0.161 0.000 1.046 138 V CA -1.028 61.322 62.300 0.084 0.000 0.934 138 V CB 1.934 33.700 31.823 -0.095 0.000 1.003 138 V HN 0.552 nan 8.190 nan 0.000 0.451 139 L N 3.866 125.174 121.223 0.141 0.000 2.305 139 L HA 0.530 4.870 4.340 0.000 0.000 0.284 139 L C 0.035 177.024 176.870 0.198 0.000 1.013 139 L CA -0.509 54.416 54.840 0.142 0.000 0.819 139 L CB 1.578 43.699 42.059 0.104 0.000 1.227 139 L HN 0.604 nan 8.230 nan 0.000 0.417 140 K N 3.468 123.995 120.400 0.211 0.000 2.267 140 K HA 0.384 4.704 4.320 0.000 0.000 0.282 140 K C -0.945 175.689 176.600 0.057 0.000 1.078 140 K CA -0.480 55.888 56.287 0.135 0.000 0.903 140 K CB 1.019 33.632 32.500 0.189 0.000 1.111 140 K HN 0.348 nan 8.250 nan 0.000 0.475 141 V N 4.277 124.236 119.914 0.076 0.000 2.432 141 V HA 0.273 4.393 4.120 0.000 0.000 0.275 141 V C 0.190 176.325 176.094 0.068 0.000 1.043 141 V CA -0.105 62.251 62.300 0.093 0.000 0.925 141 V CB 0.847 32.789 31.823 0.198 0.000 0.985 141 V HN 1.055 nan 8.190 nan 0.000 0.466 142 S N 2.990 118.695 115.700 0.010 0.000 3.003 142 S HA 0.863 5.334 4.470 0.000 0.000 0.313 142 S C 0.304 174.868 174.600 -0.060 0.000 1.230 142 S CA -0.053 58.144 58.200 -0.005 0.000 0.977 142 S CB 0.837 64.019 63.200 -0.030 0.000 1.340 142 S HN 2.011 nan 8.310 nan 0.000 0.608 143 G N 1.217 109.996 108.800 -0.035 0.000 2.649 143 G HA2 -0.220 3.740 3.960 0.000 0.000 0.281 143 G HA3 -0.220 3.740 3.960 0.000 0.000 0.281 143 G C -0.222 174.629 174.900 -0.083 0.000 1.325 143 G CA 0.426 45.501 45.100 -0.042 0.000 0.916 143 G HN 0.888 nan 8.290 nan 0.000 0.562 144 K N 1.044 121.418 120.400 -0.043 0.000 2.570 144 K HA 0.172 4.492 4.320 0.000 0.000 0.210 144 K C 1.277 177.891 176.600 0.024 0.000 1.048 144 K CA 0.794 57.052 56.287 -0.050 0.000 1.167 144 K CB 0.129 32.608 32.500 -0.035 0.000 0.892 144 K HN 0.727 nan 8.250 nan 0.000 0.480 145 E N -0.808 119.418 120.200 0.044 0.000 2.653 145 E HA -0.043 4.308 4.350 0.000 0.000 0.218 145 E C -0.002 176.619 176.600 0.035 0.000 0.911 145 E CA -0.177 56.252 56.400 0.048 0.000 1.355 145 E CB 0.362 30.107 29.700 0.076 0.000 1.314 145 E HN 0.111 nan 8.360 nan 0.000 0.686 146 Q N 1.409 121.226 119.800 0.029 0.000 2.434 146 Q HA -0.101 4.239 4.340 0.000 0.000 0.288 146 Q C -0.794 175.217 176.000 0.018 0.000 1.372 146 Q CA 0.566 56.379 55.803 0.016 0.000 0.731 146 Q CB -1.613 27.131 28.738 0.009 0.000 1.126 146 Q HN 0.458 nan 8.270 nan 0.000 0.398 147 T N -0.789 113.777 114.554 0.019 0.000 2.900 147 T HA 0.593 4.943 4.350 0.000 0.000 0.326 147 T C 0.544 175.252 174.700 0.014 0.000 1.145 147 T CA -0.075 62.035 62.100 0.017 0.000 0.963 147 T CB 0.647 69.525 68.868 0.017 0.000 1.512 147 T HN 0.503 nan 8.240 nan 0.000 0.552 148 A N 0.955 123.782 122.820 0.012 0.000 3.079 148 A HA 0.419 4.739 4.320 0.000 0.000 0.315 148 A C 0.235 177.824 177.584 0.010 0.000 1.334 148 A CA -0.635 51.411 52.037 0.014 0.000 1.048 148 A CB -0.486 18.523 19.000 0.014 0.000 1.156 148 A HN 0.552 nan 8.150 nan 0.000 0.523 149 K N 0.699 121.102 120.400 0.005 0.000 2.168 149 K HA 0.371 4.691 4.320 0.000 0.000 0.239 149 K C -0.376 176.219 176.600 -0.009 0.000 0.999 149 K CA -1.099 55.180 56.287 -0.013 0.000 0.900 149 K CB 0.801 33.281 32.500 -0.034 0.000 1.111 149 K HN 0.463 nan 8.250 nan 0.000 0.452 150 N N 0.111 118.795 118.700 -0.027 0.000 2.381 150 N HA 0.307 5.047 4.740 0.000 0.000 0.254 150 N C -0.702 174.776 175.510 -0.052 0.000 1.264 150 N CA -0.076 52.963 53.050 -0.018 0.000 0.942 150 N CB 0.892 39.362 38.487 -0.027 0.000 1.190 150 N HN 0.641 nan 8.380 nan 0.000 0.495 151 A N 0.185 123.003 122.820 -0.004 0.000 2.469 151 A HA 0.765 5.085 4.320 0.000 0.000 0.299 151 A C -0.776 176.815 177.584 0.012 0.000 1.098 151 A CA -0.607 51.411 52.037 -0.031 0.000 0.737 151 A CB 1.131 20.233 19.000 0.168 0.000 1.312 151 A HN 0.546 nan 8.150 nan 0.000 0.414 152 I N 1.223 121.744 120.570 -0.081 0.000 2.509 152 I HA 0.364 4.535 4.170 0.000 0.000 0.293 152 I C -0.889 175.448 176.117 0.366 0.000 1.020 152 I CA -0.470 60.890 61.300 0.101 0.000 1.088 152 I CB 1.855 39.809 38.000 -0.076 0.000 1.267 152 I HN 0.808 nan 8.210 nan 0.000 0.430 153 W N 8.077 129.538 121.300 0.269 0.000 2.478 153 W HA 0.675 5.335 4.660 -0.000 0.000 0.318 153 W C -1.988 174.597 176.519 0.110 0.000 1.062 153 W CA -0.774 56.747 57.345 0.293 0.000 1.210 153 W CB 1.333 31.007 29.460 0.357 0.000 1.325 153 W HN 0.316 nan 8.180 nan 0.000 0.496 154 I N 5.882 126.186 120.570 -0.443 0.000 2.468 154 I HA 0.107 4.277 4.170 0.000 0.000 0.285 154 I C -0.777 174.888 176.117 -0.753 0.000 1.039 154 I CA -0.638 60.386 61.300 -0.459 0.000 1.074 154 I CB 1.921 39.730 38.000 -0.318 0.000 1.228 154 I HN 0.348 nan 8.210 nan 0.000 0.436 155 D N 5.231 125.311 120.400 -0.533 0.000 2.185 155 D HA 0.625 5.265 4.640 0.000 0.000 0.247 155 D C -0.710 175.499 176.300 -0.152 0.000 1.027 155 D CA -0.305 53.515 54.000 -0.301 0.000 0.861 155 D CB 1.792 42.657 40.800 0.108 0.000 1.202 155 D HN 0.354 nan 8.370 nan 0.000 0.453 156 c N 0.459 118.992 118.600 -0.112 0.000 2.771 156 c HA 0.896 5.466 4.570 0.000 0.000 0.333 156 c C 1.226 175.273 174.090 -0.072 0.000 1.267 156 c CA -0.061 56.219 56.329 -0.081 0.000 1.721 156 c CB 0.890 43.387 42.510 -0.022 0.000 2.222 156 c HN 1.088 nan 8.230 nan 0.000 0.485 157 G N 0.743 109.503 108.800 -0.067 0.000 2.221 157 G HA2 -0.241 3.719 3.960 0.000 0.000 0.265 157 G HA3 -0.241 3.719 3.960 0.000 0.000 0.265 157 G C 0.427 175.344 174.900 0.029 0.000 1.041 157 G CA 0.602 45.681 45.100 -0.035 0.000 0.807 157 G HN 0.776 nan 8.290 nan 0.000 0.502 158 I N -0.706 119.857 120.570 -0.011 0.000 2.226 158 I HA -0.032 4.138 4.170 0.000 0.000 0.245 158 I C 1.421 177.549 176.117 0.018 0.000 1.100 158 I CA 1.107 62.404 61.300 -0.006 0.000 1.374 158 I CB -0.064 37.913 38.000 -0.038 0.000 1.057 158 I HN 0.395 nan 8.210 nan 0.000 0.413 159 H N -0.605 118.594 119.070 0.215 0.000 2.556 159 H HA 0.347 4.904 4.556 0.000 0.000 0.310 159 H C 1.043 176.494 175.328 0.206 0.000 1.057 159 H CA -0.142 56.017 56.048 0.186 0.000 1.264 159 H CB 1.525 31.403 29.762 0.193 0.000 1.404 159 H HN 0.127 nan 8.280 nan 0.000 0.462 160 A N 4.194 127.230 122.820 0.360 0.000 1.927 160 A HA -0.260 4.060 4.320 0.000 0.000 0.220 160 A C 2.212 180.094 177.584 0.496 0.000 1.185 160 A CA 1.904 54.223 52.037 0.470 0.000 0.639 160 A CB -0.355 18.955 19.000 0.517 0.000 0.820 160 A HN 0.869 nan 8.150 nan 0.000 0.451 161 R N 0.068 120.674 120.500 0.177 0.000 2.313 161 R HA 0.070 4.410 4.340 0.000 0.000 0.199 161 R C -0.362 175.907 176.300 -0.052 0.000 0.958 161 R CA 0.750 56.791 56.100 -0.098 0.000 1.047 161 R CB -0.273 29.676 30.300 -0.585 0.000 0.955 161 R HN 0.499 nan 8.270 nan 0.000 0.481 162 E N 1.059 121.394 120.200 0.226 0.000 1.979 162 E HA 0.004 4.354 4.350 0.000 0.000 0.285 162 E C -0.381 176.494 176.600 0.459 0.000 1.188 162 E CA -0.498 56.112 56.400 0.350 0.000 1.214 162 E CB 0.078 30.004 29.700 0.376 0.000 1.210 162 E HN 0.325 nan 8.360 nan 0.000 0.477 163 W N 0.784 122.168 121.300 0.140 0.000 2.425 163 W HA -0.084 4.576 4.660 0.000 0.000 0.277 163 W C 1.730 178.408 176.519 0.265 0.000 1.231 163 W CA -0.031 57.412 57.345 0.163 0.000 1.248 163 W CB -0.318 29.030 29.460 -0.186 0.000 1.117 163 W HN 0.455 nan 8.180 nan 0.000 0.568 164 I N -0.112 120.753 120.570 0.492 0.000 2.700 164 I HA -0.232 3.938 4.170 0.000 0.000 0.261 164 I C 2.516 178.820 176.117 0.312 0.000 1.219 164 I CA 1.572 63.141 61.300 0.449 0.000 1.463 164 I CB -0.626 37.573 38.000 0.331 0.000 1.092 164 I HN -0.136 nan 8.210 nan 0.000 0.452 165 S N 0.910 116.768 115.700 0.263 0.000 2.335 165 S HA 0.047 4.517 4.470 0.000 0.000 0.217 165 S C -0.267 174.429 174.600 0.160 0.000 1.032 165 S CA 1.229 59.537 58.200 0.180 0.000 0.985 165 S CB -1.130 62.134 63.200 0.106 0.000 0.896 165 S HN 0.276 nan 8.310 nan 0.000 0.445 166 P HA 0.086 nan 4.420 nan 0.000 0.220 166 P C 1.394 178.716 177.300 0.036 0.000 1.148 166 P CA 1.341 64.423 63.100 -0.031 0.000 0.803 166 P CB -0.264 31.273 31.700 -0.273 0.000 0.782 167 A N -0.544 122.356 122.820 0.135 0.000 1.892 167 A HA -0.253 4.067 4.320 0.000 0.000 0.218 167 A C 2.116 179.818 177.584 0.197 0.000 1.188 167 A CA 1.802 53.921 52.037 0.137 0.000 0.631 167 A CB -1.884 17.235 19.000 0.199 0.000 0.822 167 A HN 0.191 nan 8.150 nan 0.000 0.447 168 F N 0.206 120.211 119.950 0.092 0.000 2.102 168 F HA -0.202 4.325 4.527 0.000 0.000 0.298 168 F C 2.531 178.450 175.800 0.197 0.000 1.105 168 F CA 1.476 59.544 58.000 0.114 0.000 1.239 168 F CB -0.842 38.181 39.000 0.039 0.000 0.991 168 F HN 0.303 nan 8.300 nan 0.000 0.474 169 c N 0.870 119.507 118.600 0.061 0.000 2.398 169 c HA -0.213 4.357 4.570 0.000 0.000 0.276 169 c C 2.908 177.012 174.090 0.024 0.000 1.222 169 c CA 1.283 57.587 56.329 -0.041 0.000 1.746 169 c CB -1.379 41.141 42.510 0.017 0.000 2.039 169 c HN 0.514 nan 8.230 nan 0.000 0.470 170 L N -1.413 119.814 121.223 0.008 0.000 1.994 170 L HA -0.197 4.143 4.340 0.000 0.000 0.208 170 L C 2.478 179.374 176.870 0.042 0.000 1.071 170 L CA 2.051 56.862 54.840 -0.049 0.000 0.745 170 L CB -0.999 40.902 42.059 -0.264 0.000 0.892 170 L HN 0.569 nan 8.230 nan 0.000 0.431 171 W N 0.570 121.793 121.300 -0.128 0.000 2.305 171 W HA -0.342 4.318 4.660 0.000 0.000 0.308 171 W C 2.594 178.930 176.519 -0.305 0.000 1.226 171 W CA 1.979 59.170 57.345 -0.257 0.000 1.253 171 W CB -0.387 28.994 29.460 -0.131 0.000 1.146 171 W HN 0.063 nan 8.180 nan 0.000 0.507 172 F N 0.381 120.282 119.950 -0.081 0.000 2.051 172 F HA -0.223 4.304 4.527 0.000 0.000 0.296 172 F C 2.205 177.958 175.800 -0.079 0.000 1.122 172 F CA 2.526 60.479 58.000 -0.078 0.000 1.201 172 F CB -0.762 37.980 39.000 -0.430 0.000 0.978 172 F HN -0.217 nan 8.300 nan 0.000 0.472 173 I N 0.371 120.979 120.570 0.064 0.000 2.163 173 I HA -0.273 3.897 4.170 0.000 0.000 0.243 173 I C 2.762 178.756 176.117 -0.206 0.000 1.085 173 I CA 1.520 62.808 61.300 -0.019 0.000 1.347 173 I CB -1.333 36.822 38.000 0.258 0.000 1.044 173 I HN 0.364 nan 8.210 nan 0.000 0.408 174 G N -0.551 108.031 108.800 -0.364 0.000 2.440 174 G HA2 -0.346 3.615 3.960 0.000 0.000 0.218 174 G HA3 -0.346 3.615 3.960 0.000 0.000 0.218 174 G C 1.506 176.018 174.900 -0.647 0.000 1.154 174 G CA 1.276 45.944 45.100 -0.720 0.000 0.767 174 G HN 0.418 nan 8.290 nan 0.000 0.552 175 H N -0.167 118.397 119.070 -0.843 0.000 2.395 175 H HA 0.142 4.698 4.556 0.000 0.000 0.299 175 H C 2.498 177.467 175.328 -0.598 0.000 1.070 175 H CA 0.920 56.488 56.048 -0.801 0.000 1.356 175 H CB 0.029 29.045 29.762 -1.243 0.000 1.401 175 H HN 0.213 nan 8.280 nan 0.000 0.524 176 I N -0.096 120.185 120.570 -0.481 0.000 2.252 176 I HA -0.229 3.941 4.170 0.000 0.000 0.245 176 I C 2.055 178.026 176.117 -0.243 0.000 1.102 176 I CA 1.302 62.367 61.300 -0.393 0.000 1.385 176 I CB -0.925 36.866 38.000 -0.347 0.000 1.064 176 I HN 0.347 nan 8.210 nan 0.000 0.414 177 T N 0.736 115.146 114.554 -0.241 0.000 2.635 177 T HA -0.276 4.074 4.350 0.000 0.000 0.267 177 T C 1.890 176.502 174.700 -0.147 0.000 1.040 177 T CA 1.712 63.726 62.100 -0.144 0.000 1.156 177 T CB -0.255 68.449 68.868 -0.274 0.000 0.863 177 T HN 0.379 nan 8.240 nan 0.000 0.430 178 Q N -0.559 119.035 119.800 -0.343 0.000 2.084 178 Q HA -0.007 4.334 4.340 0.000 0.000 0.202 178 Q C 1.416 176.993 176.000 -0.705 0.000 0.978 178 Q CA 1.347 56.822 55.803 -0.547 0.000 0.844 178 Q CB -0.103 28.154 28.738 -0.802 0.000 0.898 178 Q HN 0.519 nan 8.270 nan 0.000 0.426 179 F N -1.665 118.022 119.950 -0.437 0.000 2.653 179 F HA 0.144 4.671 4.527 0.000 0.000 0.304 179 F C -0.013 175.682 175.800 -0.175 0.000 1.092 179 F CA -0.804 56.973 58.000 -0.371 0.000 1.279 179 F CB 0.211 38.839 39.000 -0.620 0.000 1.044 179 F HN -0.004 nan 8.300 nan 0.000 0.564 180 Y N 1.279 121.515 120.300 -0.105 0.000 2.677 180 Y HA 0.340 4.890 4.550 -0.000 0.000 0.335 180 Y C 1.328 177.243 175.900 0.026 0.000 1.162 180 Y CA 0.619 58.722 58.100 0.007 0.000 1.483 180 Y CB 0.260 38.712 38.460 -0.014 0.000 1.209 180 Y HN 0.367 nan 8.280 nan 0.000 0.528 181 G N 4.810 113.368 108.800 -0.404 0.000 2.234 181 G HA2 -0.370 3.590 3.960 0.000 0.000 0.260 181 G HA3 -0.370 3.590 3.960 0.000 0.000 0.260 181 G C 0.959 175.824 174.900 -0.057 0.000 0.987 181 G CA 0.639 45.602 45.100 -0.228 0.000 0.625 181 G HN 0.696 nan 8.290 nan 0.000 0.532 182 I N 0.350 120.926 120.570 0.009 0.000 2.339 182 I HA 0.271 4.441 4.170 0.000 0.000 0.245 182 I C 1.071 177.257 176.117 0.115 0.000 1.096 182 I CA 0.886 62.228 61.300 0.071 0.000 1.408 182 I CB 0.096 38.170 38.000 0.122 0.000 1.092 182 I HN 0.160 nan 8.210 nan 0.000 0.423 183 I N 0.351 121.037 120.570 0.192 0.000 2.355 183 I HA 0.193 4.363 4.170 0.000 0.000 0.288 183 I C 1.296 177.484 176.117 0.118 0.000 0.999 183 I CA -0.240 61.171 61.300 0.186 0.000 1.163 183 I CB 1.695 39.889 38.000 0.323 0.000 1.316 183 I HN 0.037 nan 8.210 nan 0.000 0.454 184 G N 3.791 112.608 108.800 0.029 0.000 2.442 184 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 184 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 184 G C 1.254 176.168 174.900 0.024 0.000 1.141 184 G CA 0.612 45.713 45.100 0.001 0.000 0.763 184 G HN 0.714 nan 8.290 nan 0.000 0.554 185 Q N -0.604 119.182 119.800 -0.022 0.000 2.082 185 Q HA -0.265 4.075 4.340 0.000 0.000 0.211 185 Q C 2.297 178.336 176.000 0.065 0.000 1.002 185 Q CA 2.117 57.894 55.803 -0.043 0.000 0.868 185 Q CB -0.327 28.278 28.738 -0.221 0.000 0.931 185 Q HN 0.642 nan 8.270 nan 0.000 0.414 186 Y N -0.123 120.285 120.300 0.181 0.000 2.293 186 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 186 Y C 2.590 178.563 175.900 0.122 0.000 1.137 186 Y CA 1.462 59.687 58.100 0.208 0.000 1.202 186 Y CB -0.638 37.932 38.460 0.184 0.000 0.990 186 Y HN 0.149 nan 8.280 nan 0.000 0.537 187 T N 0.076 114.679 114.554 0.081 0.000 2.708 187 T HA -0.168 4.182 4.350 0.000 0.000 0.266 187 T C 1.657 176.418 174.700 0.102 0.000 1.037 187 T CA 1.618 63.628 62.100 -0.149 0.000 1.146 187 T CB -0.304 68.411 68.868 -0.256 0.000 0.865 187 T HN 0.345 nan 8.240 nan 0.000 0.435 188 N N 1.199 120.002 118.700 0.172 0.000 2.216 188 N HA 0.063 4.803 4.740 0.000 0.000 0.183 188 N C 1.862 177.536 175.510 0.273 0.000 1.017 188 N CA 0.411 53.616 53.050 0.258 0.000 0.861 188 N CB -0.599 38.094 38.487 0.343 0.000 0.986 188 N HN 0.278 nan 8.380 nan 0.000 0.428 189 L N 0.938 122.356 121.223 0.325 0.000 1.955 189 L HA -0.141 4.199 4.340 0.000 0.000 0.213 189 L C 1.981 178.908 176.870 0.096 0.000 1.072 189 L CA 1.433 56.338 54.840 0.108 0.000 0.755 189 L CB -0.444 41.793 42.059 0.296 0.000 0.888 189 L HN 0.139 nan 8.230 nan 0.000 0.432 190 L N -0.508 120.872 121.223 0.262 0.000 2.265 190 L HA -0.220 4.120 4.340 0.000 0.000 0.215 190 L C 2.730 179.700 176.870 0.167 0.000 1.117 190 L CA 0.822 55.819 54.840 0.261 0.000 0.782 190 L CB -0.481 41.819 42.059 0.401 0.000 0.914 190 L HN 0.355 nan 8.230 nan 0.000 0.441 191 R N 0.524 121.123 120.500 0.166 0.000 2.120 191 R HA -0.150 4.190 4.340 0.000 0.000 0.234 191 R C 1.955 178.278 176.300 0.038 0.000 1.123 191 R CA 1.357 57.526 56.100 0.113 0.000 0.975 191 R CB 0.033 30.402 30.300 0.114 0.000 0.866 191 R HN 0.363 nan 8.270 nan 0.000 0.446 192 L N -0.909 120.301 121.223 -0.022 0.000 2.470 192 L HA 0.272 4.612 4.340 0.000 0.000 0.219 192 L C 0.422 177.210 176.870 -0.137 0.000 1.071 192 L CA -0.176 54.613 54.840 -0.085 0.000 0.850 192 L CB 1.005 42.977 42.059 -0.145 0.000 1.040 192 L HN -0.061 nan 8.230 nan 0.000 0.475 193 V N -0.826 118.984 119.914 -0.174 0.000 3.078 193 V HA 0.450 4.570 4.120 0.000 0.000 0.311 193 V C -1.609 174.330 176.094 -0.259 0.000 1.138 193 V CA -0.706 61.443 62.300 -0.253 0.000 1.007 193 V CB 2.887 34.472 31.823 -0.397 0.000 1.045 193 V HN -0.057 nan 8.190 nan 0.000 0.432 194 D N 1.879 122.083 120.400 -0.327 0.000 2.299 194 D HA 0.600 5.240 4.640 0.000 0.000 0.243 194 D C -1.224 174.764 176.300 -0.521 0.000 0.982 194 D CA 0.250 54.074 54.000 -0.295 0.000 0.924 194 D CB 1.760 42.409 40.800 -0.252 0.000 1.238 194 D HN 0.300 nan 8.370 nan 0.000 0.484 195 F N 0.534 120.418 119.950 -0.111 0.000 2.532 195 F HA 0.397 4.924 4.527 0.000 0.000 0.321 195 F C -0.533 175.151 175.800 -0.193 0.000 1.089 195 F CA -0.844 57.133 58.000 -0.039 0.000 0.926 195 F CB 1.354 40.451 39.000 0.162 0.000 1.168 195 F HN 0.127 nan 8.300 nan 0.000 0.459 196 Y N 2.183 122.679 120.300 0.327 0.000 2.388 196 Y HA 0.571 5.121 4.550 0.000 0.000 0.328 196 Y C -0.540 175.300 175.900 -0.100 0.000 0.963 196 Y CA -1.076 57.156 58.100 0.220 0.000 1.240 196 Y CB 1.498 40.251 38.460 0.488 0.000 1.118 196 Y HN 0.184 nan 8.280 nan 0.000 0.484 197 V N 5.585 125.506 119.914 0.012 0.000 2.417 197 V HA 0.376 4.497 4.120 0.000 0.000 0.291 197 V C -0.241 175.718 176.094 -0.225 0.000 1.024 197 V CA -0.833 61.364 62.300 -0.171 0.000 0.861 197 V CB 1.700 33.529 31.823 0.011 0.000 0.985 197 V HN 0.774 nan 8.190 nan 0.000 0.436 198 M N 8.296 127.649 119.600 -0.411 0.000 2.027 198 M HA 0.389 4.869 4.480 0.000 0.000 0.329 198 M C -1.814 174.412 176.300 -0.123 0.000 0.971 198 M CA -1.994 53.157 55.300 -0.248 0.000 0.933 198 M CB 2.123 34.532 32.600 -0.318 0.000 1.392 198 M HN 0.355 nan 8.290 nan 0.000 0.394 199 P HA -0.072 nan 4.420 nan 0.000 0.215 199 P C -0.209 177.042 177.300 -0.082 0.000 1.153 199 P CA 0.996 64.086 63.100 -0.017 0.000 0.853 199 P CB 0.116 31.856 31.700 0.067 0.000 0.788 200 V N -0.044 119.829 119.914 -0.069 0.000 2.462 200 V HA 0.102 4.222 4.120 0.000 0.000 0.288 200 V C 1.345 177.439 176.094 -0.000 0.000 1.020 200 V CA -0.351 61.884 62.300 -0.108 0.000 0.857 200 V CB 1.871 33.562 31.823 -0.219 0.000 1.013 200 V HN -0.248 nan 8.190 nan 0.000 0.431 201 V N 2.729 122.666 119.914 0.040 0.000 2.323 201 V HA -0.071 4.049 4.120 0.000 0.000 0.244 201 V C 1.580 177.744 176.094 0.117 0.000 1.041 201 V CA 1.850 64.217 62.300 0.112 0.000 1.025 201 V CB -0.229 31.694 31.823 0.168 0.000 0.656 201 V HN 0.897 nan 8.190 nan 0.000 0.451 202 N N 0.475 119.246 118.700 0.118 0.000 2.994 202 N HA 0.086 4.826 4.740 0.000 0.000 0.306 202 N C 0.971 176.594 175.510 0.189 0.000 1.348 202 N CA 0.047 53.195 53.050 0.163 0.000 1.109 202 N CB 0.239 38.840 38.487 0.190 0.000 1.415 202 N HN 0.086 nan 8.380 nan 0.000 0.529 203 V N 0.468 120.467 119.914 0.142 0.000 2.251 203 V HA -0.390 3.730 4.120 0.000 0.000 0.259 203 V C 1.568 177.733 176.094 0.117 0.000 1.078 203 V CA 2.365 64.737 62.300 0.119 0.000 1.072 203 V CB -0.347 31.558 31.823 0.137 0.000 0.681 203 V HN 0.493 nan 8.190 nan 0.000 0.454 204 D N -0.139 120.342 120.400 0.134 0.000 2.092 204 D HA -0.105 4.536 4.640 0.000 0.000 0.193 204 D C 2.105 178.510 176.300 0.174 0.000 0.994 204 D CA 1.729 55.797 54.000 0.114 0.000 0.828 204 D CB -0.755 40.151 40.800 0.178 0.000 0.963 204 D HN 0.522 nan 8.370 nan 0.000 0.450 205 G N -0.718 108.246 108.800 0.273 0.000 2.403 205 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 205 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 205 G C 1.577 176.761 174.900 0.473 0.000 1.154 205 G CA 0.429 45.785 45.100 0.428 0.000 0.784 205 G HN 0.243 nan 8.290 nan 0.000 0.538 206 Y N 1.761 122.225 120.300 0.273 0.000 2.097 206 Y HA -0.195 4.356 4.550 0.000 0.000 0.282 206 Y C 2.366 178.442 175.900 0.293 0.000 1.152 206 Y CA 2.061 60.321 58.100 0.267 0.000 1.136 206 Y CB -0.531 37.994 38.460 0.110 0.000 0.975 206 Y HN 0.324 nan 8.280 nan 0.000 0.498 207 D N -1.402 119.047 120.400 0.080 0.000 2.097 207 D HA -0.283 4.357 4.640 0.000 0.000 0.195 207 D C 2.119 178.476 176.300 0.094 0.000 0.989 207 D CA 1.539 55.516 54.000 -0.038 0.000 0.827 207 D CB -0.646 40.106 40.800 -0.080 0.000 0.966 207 D HN 0.464 nan 8.370 nan 0.000 0.456 208 Y N 0.678 120.986 120.300 0.014 0.000 2.241 208 Y HA -0.254 4.296 4.550 0.000 0.000 0.286 208 Y C 2.438 178.366 175.900 0.047 0.000 1.166 208 Y CA 2.031 60.111 58.100 -0.033 0.000 1.203 208 Y CB -0.436 37.906 38.460 -0.197 0.000 0.977 208 Y HN 0.119 nan 8.280 nan 0.000 0.529 209 S N -1.850 114.017 115.700 0.278 0.000 2.436 209 S HA -0.169 4.301 4.470 0.000 0.000 0.228 209 S C 1.695 176.436 174.600 0.234 0.000 1.014 209 S CA 0.678 59.047 58.200 0.281 0.000 0.950 209 S CB -0.912 62.561 63.200 0.455 0.000 0.784 209 S HN 0.573 nan 8.310 nan 0.000 0.504 210 W N 2.210 123.541 121.300 0.051 0.000 2.409 210 W HA 0.283 4.943 4.660 0.000 0.000 0.299 210 W C 2.596 179.099 176.519 -0.027 0.000 1.203 210 W CA 0.741 58.111 57.345 0.041 0.000 1.298 210 W CB 0.044 29.377 29.460 -0.213 0.000 1.127 210 W HN 0.290 nan 8.180 nan 0.000 0.528 211 K N -0.669 119.796 120.400 0.109 0.000 2.202 211 K HA 0.067 4.388 4.320 0.000 0.000 0.201 211 K C 1.650 178.149 176.600 -0.169 0.000 1.051 211 K CA 0.903 57.178 56.287 -0.019 0.000 0.977 211 K CB 0.101 32.576 32.500 -0.042 0.000 0.792 211 K HN 0.044 nan 8.250 nan 0.000 0.469 212 K N -0.917 119.258 120.400 -0.374 0.000 2.493 212 K HA 0.095 4.415 4.320 0.000 0.000 0.201 212 K C 0.040 176.425 176.600 -0.359 0.000 1.355 212 K CA 0.058 56.049 56.287 -0.494 0.000 0.953 212 K CB 0.724 32.632 32.500 -0.987 0.000 1.316 212 K HN -0.091 nan 8.250 nan 0.000 0.522 213 N N 1.054 119.563 118.700 -0.317 0.000 2.629 213 N HA 0.102 4.842 4.740 0.000 0.000 0.277 213 N C -0.097 175.441 175.510 0.046 0.000 1.188 213 N CA -0.053 52.973 53.050 -0.039 0.000 0.835 213 N CB 1.506 40.100 38.487 0.178 0.000 1.420 213 N HN -0.180 nan 8.380 nan 0.000 0.542 214 R N 3.022 123.470 120.500 -0.086 0.000 2.193 214 R HA 0.112 4.452 4.340 0.000 0.000 0.229 214 R C 1.029 177.224 176.300 -0.174 0.000 1.110 214 R CA 1.625 57.602 56.100 -0.205 0.000 0.988 214 R CB 0.004 30.075 30.300 -0.382 0.000 0.871 214 R HN 0.573 nan 8.270 nan 0.000 0.458 215 M N -0.855 118.708 119.600 -0.062 0.000 2.494 215 M HA 0.075 4.555 4.480 0.000 0.000 0.232 215 M C 0.014 176.349 176.300 0.058 0.000 1.137 215 M CA -0.525 54.748 55.300 -0.044 0.000 1.012 215 M CB -0.949 31.687 32.600 0.060 0.000 1.567 215 M HN 0.142 nan 8.290 nan 0.000 0.486 216 W N 2.368 123.673 121.300 0.008 0.000 2.193 216 W HA 0.000 4.660 4.660 0.000 0.000 0.338 216 W C 1.150 177.690 176.519 0.035 0.000 1.310 216 W CA 0.623 58.022 57.345 0.089 0.000 1.243 216 W CB 0.764 30.384 29.460 0.267 0.000 1.165 216 W HN 0.324 nan 8.180 nan 0.000 0.566 217 R N 2.703 122.811 120.500 -0.652 0.000 2.350 217 R HA 0.107 4.447 4.340 0.000 0.000 0.199 217 R C 0.316 176.476 176.300 -0.233 0.000 0.876 217 R CA 0.143 56.024 56.100 -0.366 0.000 1.062 217 R CB 0.267 30.328 30.300 -0.398 0.000 1.263 217 R HN 0.300 nan 8.270 nan 0.000 0.641 218 K N 1.078 121.122 120.400 -0.594 0.000 2.362 218 K HA 0.138 4.458 4.320 0.000 0.000 0.245 218 K C 0.094 176.827 176.600 0.221 0.000 1.040 218 K CA -0.815 55.394 56.287 -0.131 0.000 0.961 218 K CB 0.193 32.580 32.500 -0.189 0.000 1.252 218 K HN -0.053 nan 8.250 nan 0.000 0.503 219 N N 0.986 119.821 118.700 0.224 0.000 2.179 219 N HA -0.108 4.632 4.740 0.000 0.000 0.219 219 N C 0.045 175.738 175.510 0.305 0.000 1.352 219 N CA 0.716 53.905 53.050 0.231 0.000 0.856 219 N CB 0.399 38.948 38.487 0.104 0.000 1.040 219 N HN 0.343 nan 8.380 nan 0.000 0.436 220 R N -0.532 120.032 120.500 0.106 0.000 2.659 220 R HA 0.136 4.476 4.340 0.000 0.000 0.418 220 R C -0.216 175.910 176.300 -0.290 0.000 1.076 220 R CA -0.290 55.787 56.100 -0.038 0.000 1.093 220 R CB -0.704 29.553 30.300 -0.070 0.000 1.400 220 R HN 0.593 nan 8.270 nan 0.000 0.583 221 S N 0.890 116.248 115.700 -0.570 0.000 2.593 221 S HA 0.515 4.985 4.470 0.000 0.000 0.269 221 S C 0.095 174.134 174.600 -0.934 0.000 1.334 221 S CA -0.416 56.850 58.200 -1.556 0.000 1.015 221 S CB 0.510 63.045 63.200 -1.109 0.000 0.912 221 S HN 0.275 nan 8.310 nan 0.000 0.541 222 F N -0.943 118.222 119.950 -1.307 0.000 2.654 222 F HA 0.804 5.331 4.527 0.000 0.000 0.308 222 F C -1.514 173.905 175.800 -0.634 0.000 1.108 222 F CA -1.344 56.233 58.000 -0.706 0.000 0.957 222 F CB 0.476 39.298 39.000 -0.297 0.000 1.309 222 F HN 0.531 nan 8.300 nan 0.000 0.446 223 Y N 1.119 121.510 120.300 0.153 0.000 3.321 223 Y HA 0.830 5.380 4.550 0.000 0.000 0.273 223 Y C 1.227 177.215 175.900 0.146 0.000 2.038 223 Y CA -0.276 57.875 58.100 0.085 0.000 0.871 223 Y CB -0.109 38.404 38.460 0.089 0.000 1.458 223 Y HN 0.768 nan 8.280 nan 0.000 0.600 224 A N 0.282 123.296 122.820 0.323 0.000 2.536 224 A HA 0.168 4.488 4.320 0.000 0.000 0.219 224 A C 0.627 178.297 177.584 0.143 0.000 1.926 224 A CA 0.784 52.938 52.037 0.195 0.000 0.710 224 A CB -0.711 18.379 19.000 0.149 0.000 1.364 224 A HN 0.610 nan 8.150 nan 0.000 0.522 225 N N 1.315 120.084 118.700 0.115 0.000 2.546 225 N HA 0.145 4.886 4.740 0.000 0.000 0.286 225 N C -1.337 174.226 175.510 0.089 0.000 1.259 225 N CA -0.231 52.857 53.050 0.062 0.000 0.939 225 N CB 0.018 38.532 38.487 0.046 0.000 1.243 225 N HN 0.600 nan 8.380 nan 0.000 0.511 226 N N -0.580 118.201 118.700 0.135 0.000 2.362 226 N HA 0.176 4.917 4.740 0.000 0.000 0.298 226 N C 0.404 176.020 175.510 0.176 0.000 1.048 226 N CA -0.416 52.742 53.050 0.180 0.000 0.858 226 N CB 0.606 39.157 38.487 0.107 0.000 1.218 226 N HN -0.013 nan 8.380 nan 0.000 0.488 227 H N -0.449 118.617 119.070 -0.006 0.000 2.524 227 H HA 0.211 4.767 4.556 0.000 0.000 0.282 227 H C 0.055 175.379 175.328 -0.007 0.000 1.016 227 H CA -0.127 55.920 56.048 -0.002 0.000 1.270 227 H CB 0.118 29.873 29.762 -0.012 0.000 1.394 227 H HN 0.483 nan 8.280 nan 0.000 0.568 228 c N 0.032 118.697 118.600 0.107 0.000 2.630 228 c HA 0.565 5.136 4.570 0.000 0.000 0.346 228 c C 0.438 174.568 174.090 0.066 0.000 1.245 228 c CA -0.968 55.399 56.329 0.063 0.000 1.804 228 c CB 1.546 44.070 42.510 0.024 0.000 2.279 228 c HN 0.227 nan 8.230 nan 0.000 0.498 229 I N 1.762 122.389 120.570 0.094 0.000 2.412 229 I HA 0.663 4.834 4.170 0.000 0.000 0.296 229 I C 0.432 176.698 176.117 0.249 0.000 0.987 229 I CA 0.489 61.850 61.300 0.101 0.000 1.180 229 I CB 1.297 39.280 38.000 -0.028 0.000 1.340 229 I HN 0.967 nan 8.210 nan 0.000 0.455 230 G N 3.191 112.104 108.800 0.188 0.000 2.742 230 G HA2 -0.019 3.941 3.960 0.000 0.000 0.686 230 G HA3 -0.019 3.941 3.960 0.000 0.000 0.686 230 G C -0.869 174.186 174.900 0.258 0.000 1.220 230 G CA -1.018 44.229 45.100 0.245 0.000 0.783 230 G HN 0.569 nan 8.290 nan 0.000 0.646 231 T N 1.524 116.187 114.554 0.181 0.000 2.861 231 T HA 0.501 4.851 4.350 0.000 0.000 0.287 231 T C -0.554 174.195 174.700 0.082 0.000 1.003 231 T CA -0.428 61.754 62.100 0.136 0.000 0.977 231 T CB 1.842 70.718 68.868 0.014 0.000 0.996 231 T HN 0.745 nan 8.240 nan 0.000 0.448 232 D N 3.173 123.617 120.400 0.074 0.000 2.359 232 D HA 0.089 4.729 4.640 0.000 0.000 0.250 232 D C 1.322 177.696 176.300 0.124 0.000 1.264 232 D CA -0.259 53.816 54.000 0.126 0.000 0.911 232 D CB 0.403 41.285 40.800 0.136 0.000 1.056 232 D HN 0.443 nan 8.370 nan 0.000 0.499 233 L N 3.303 124.596 121.223 0.117 0.000 2.187 233 L HA -0.185 4.155 4.340 0.000 0.000 0.213 233 L C 1.539 178.520 176.870 0.185 0.000 1.100 233 L CA 0.772 55.658 54.840 0.078 0.000 0.765 233 L CB -0.340 41.766 42.059 0.078 0.000 0.904 233 L HN 0.344 nan 8.230 nan 0.000 0.437 234 N N -0.236 118.605 118.700 0.234 0.000 2.313 234 N HA -0.021 4.719 4.740 0.000 0.000 0.207 234 N C 1.099 176.801 175.510 0.319 0.000 1.141 234 N CA 0.218 53.473 53.050 0.341 0.000 0.830 234 N CB 0.262 38.896 38.487 0.245 0.000 1.008 234 N HN 0.054 nan 8.380 nan 0.000 0.481 235 R N -0.989 119.658 120.500 0.244 0.000 2.531 235 R HA 0.226 4.566 4.340 0.000 0.000 0.316 235 R C 0.481 176.905 176.300 0.206 0.000 0.955 235 R CA -0.027 56.173 56.100 0.166 0.000 1.120 235 R CB -0.177 30.153 30.300 0.051 0.000 1.361 235 R HN 0.283 nan 8.270 nan 0.000 0.534 236 N N -0.027 118.805 118.700 0.219 0.000 2.197 236 N HA 0.090 4.831 4.740 0.000 0.000 0.201 236 N C -0.275 175.235 175.510 0.000 0.000 1.148 236 N CA -0.098 53.058 53.050 0.176 0.000 0.883 236 N CB 0.487 38.934 38.487 -0.066 0.000 1.012 236 N HN -0.112 nan 8.380 nan 0.000 0.507 237 F N 1.653 121.639 119.950 0.060 0.000 2.485 237 F HA 0.256 4.783 4.527 0.000 0.000 0.327 237 F C 1.167 176.927 175.800 -0.067 0.000 1.203 237 F CA -0.572 57.340 58.000 -0.145 0.000 1.295 237 F CB 0.523 39.438 39.000 -0.140 0.000 1.191 237 F HN -0.089 nan 8.300 nan 0.000 0.588 238 A N 1.949 124.717 122.820 -0.085 0.000 2.506 238 A HA 0.543 4.863 4.320 0.000 0.000 0.320 238 A C -0.478 177.219 177.584 0.190 0.000 1.424 238 A CA -0.259 51.752 52.037 -0.044 0.000 1.044 238 A CB -0.503 18.408 19.000 -0.148 0.000 1.140 238 A HN 0.569 nan 8.150 nan 0.000 0.538 239 S N 1.153 116.986 115.700 0.221 0.000 2.568 239 S HA 0.336 4.806 4.470 0.000 0.000 0.302 239 S C 0.575 175.066 174.600 -0.182 0.000 1.082 239 S CA -0.766 57.498 58.200 0.107 0.000 1.009 239 S CB 1.633 64.951 63.200 0.197 0.000 1.069 239 S HN 0.653 nan 8.310 nan 0.000 0.500 240 K N 0.857 120.866 120.400 -0.651 0.000 2.743 240 K HA 0.049 4.369 4.320 0.000 0.000 0.219 240 K C -0.403 175.611 176.600 -0.977 0.000 1.003 240 K CA 0.553 56.380 56.287 -0.766 0.000 1.156 240 K CB -0.298 31.775 32.500 -0.712 0.000 0.932 240 K HN 0.552 nan 8.250 nan 0.000 0.490 241 H N -1.997 116.852 119.070 -0.368 0.000 3.407 241 H HA 0.009 4.565 4.556 0.000 0.000 0.222 241 H C -1.161 174.195 175.328 0.047 0.000 1.357 241 H CA -0.900 55.094 56.048 -0.091 0.000 1.145 241 H CB -0.025 29.714 29.762 -0.038 0.000 2.622 241 H HN 0.262 nan 8.280 nan 0.000 0.556 242 W N 0.946 122.241 121.300 -0.009 0.000 2.435 242 W HA 0.001 4.661 4.660 0.000 0.000 0.337 242 W C 0.912 177.457 176.519 0.043 0.000 1.300 242 W CA 1.012 58.370 57.345 0.021 0.000 1.298 242 W CB 0.240 29.699 29.460 -0.002 0.000 1.217 242 W HN 0.597 nan 8.180 nan 0.000 0.565 243 c N 4.424 122.598 118.600 -0.711 0.000 4.331 243 c HA -0.278 4.292 4.570 0.000 0.000 0.293 243 c C 1.534 175.436 174.090 -0.313 0.000 1.436 243 c CA 0.997 56.829 56.329 -0.828 0.000 1.993 243 c CB -2.360 39.099 42.510 -1.751 0.000 1.266 243 c HN 0.919 nan 8.230 nan 0.000 0.795 244 E N 0.171 120.295 120.200 -0.127 0.000 3.227 244 E HA 0.121 4.471 4.350 0.000 0.000 0.455 244 E C 0.463 177.022 176.600 -0.067 0.000 0.292 244 E CA -0.291 56.076 56.400 -0.056 0.000 2.635 244 E CB 0.086 29.784 29.700 -0.003 0.000 2.232 244 E HN 0.692 nan 8.360 nan 0.000 0.443 245 E N -0.702 119.475 120.200 -0.039 0.000 2.229 245 E HA 0.273 4.623 4.350 0.000 0.000 0.283 245 E C -0.073 176.527 176.600 -0.001 0.000 1.030 245 E CA 0.447 56.830 56.400 -0.028 0.000 0.836 245 E CB 0.753 30.437 29.700 -0.026 0.000 1.068 245 E HN 0.612 nan 8.360 nan 0.000 0.401 246 G N 2.681 111.483 108.800 0.002 0.000 2.278 246 G HA2 -0.195 3.765 3.960 0.000 0.000 0.210 246 G HA3 -0.195 3.765 3.960 0.000 0.000 0.210 246 G C 0.044 174.965 174.900 0.034 0.000 1.000 246 G CA -0.128 45.005 45.100 0.056 0.000 0.635 246 G HN 0.838 nan 8.290 nan 0.000 0.495 247 A N -0.139 122.659 122.820 -0.036 0.000 2.320 247 A HA 0.892 5.212 4.320 0.000 0.000 0.334 247 A C 0.145 177.675 177.584 -0.089 0.000 1.147 247 A CA 0.585 52.569 52.037 -0.089 0.000 0.820 247 A CB 1.702 20.559 19.000 -0.238 0.000 1.218 247 A HN 1.465 nan 8.150 nan 0.000 0.482 248 S N -0.158 115.511 115.700 -0.051 0.000 2.482 248 S HA 0.435 4.905 4.470 0.000 0.000 0.303 248 S C 1.058 175.691 174.600 0.055 0.000 1.091 248 S CA 0.046 58.237 58.200 -0.014 0.000 1.057 248 S CB 1.140 64.342 63.200 0.003 0.000 1.031 248 S HN 1.231 nan 8.310 nan 0.000 0.485 249 S N 2.802 118.525 115.700 0.039 0.000 2.527 249 S HA 0.078 4.548 4.470 0.000 0.000 0.222 249 S C 0.921 175.614 174.600 0.154 0.000 0.985 249 S CA -0.009 58.266 58.200 0.124 0.000 0.921 249 S CB -0.194 63.039 63.200 0.054 0.000 0.772 249 S HN 0.595 nan 8.310 nan 0.000 0.529 250 S N 2.073 117.795 115.700 0.037 0.000 2.549 250 S HA 0.275 4.745 4.470 0.000 0.000 0.279 250 S C 1.166 175.604 174.600 -0.269 0.000 1.321 250 S CA -0.031 58.115 58.200 -0.091 0.000 1.054 250 S CB 0.949 64.099 63.200 -0.083 0.000 0.899 250 S HN 0.492 nan 8.310 nan 0.000 0.497 251 S N 3.241 118.626 115.700 -0.525 0.000 2.562 251 S HA -0.004 4.467 4.470 0.000 0.000 0.221 251 S C 1.149 175.491 174.600 -0.430 0.000 0.975 251 S CA 0.285 57.874 58.200 -1.019 0.000 0.918 251 S CB -0.510 62.229 63.200 -0.769 0.000 0.772 251 S HN 0.762 nan 8.310 nan 0.000 0.531 252 c N 1.655 120.119 118.600 -0.227 0.000 2.906 252 c HA 0.452 5.022 4.570 0.000 0.000 0.274 252 c C 1.337 175.383 174.090 -0.073 0.000 1.257 252 c CA -0.668 55.597 56.329 -0.106 0.000 1.695 252 c CB -1.564 40.894 42.510 -0.087 0.000 1.958 252 c HN 0.649 nan 8.230 nan 0.000 0.619 253 S N 1.157 116.817 115.700 -0.067 0.000 2.576 253 S HA 0.067 4.537 4.470 0.000 0.000 0.276 253 S C 1.212 175.798 174.600 -0.023 0.000 1.339 253 S CA 0.041 58.223 58.200 -0.031 0.000 1.039 253 S CB 0.551 63.750 63.200 -0.001 0.000 0.902 253 S HN 0.433 nan 8.310 nan 0.000 0.516 254 E N 1.971 122.136 120.200 -0.058 0.000 2.409 254 E HA -0.057 4.293 4.350 0.000 0.000 0.198 254 E C 1.311 177.880 176.600 -0.052 0.000 1.024 254 E CA 1.090 57.428 56.400 -0.104 0.000 0.861 254 E CB -0.269 29.356 29.700 -0.124 0.000 0.788 254 E HN 0.819 nan 8.360 nan 0.000 0.521 255 T N -2.147 112.407 114.554 -0.001 0.000 3.269 255 T HA 0.057 4.407 4.350 0.000 0.000 0.269 255 T C 0.174 174.916 174.700 0.070 0.000 0.993 255 T CA -0.708 61.409 62.100 0.029 0.000 0.909 255 T CB -0.683 68.191 68.868 0.009 0.000 1.115 255 T HN -0.075 nan 8.240 nan 0.000 0.543 256 Y N 2.711 122.988 120.300 -0.039 0.000 2.745 256 Y HA 0.195 4.745 4.550 0.000 0.000 0.335 256 Y C 1.621 177.514 175.900 -0.013 0.000 1.212 256 Y CA -1.706 56.376 58.100 -0.029 0.000 1.535 256 Y CB -0.061 38.399 38.460 -0.001 0.000 1.220 256 Y HN 0.574 nan 8.280 nan 0.000 0.531 257 c N 3.923 122.311 118.600 -0.354 0.000 2.472 257 c HA 0.556 5.126 4.570 0.000 0.000 0.278 257 c C 1.263 175.139 174.090 -0.356 0.000 1.447 257 c CA 0.066 56.171 56.329 -0.373 0.000 1.773 257 c CB -1.632 40.466 42.510 -0.686 0.000 1.793 257 c HN 1.361 nan 8.230 nan 0.000 0.544 258 G N 0.557 108.730 108.800 -1.045 0.000 2.526 258 G HA2 -0.133 3.827 3.960 0.000 0.000 0.250 258 G HA3 -0.133 3.827 3.960 0.000 0.000 0.250 258 G C 0.025 174.719 174.900 -0.344 0.000 1.289 258 G CA -0.159 44.478 45.100 -0.771 0.000 0.947 258 G HN 0.388 nan 8.290 nan 0.000 0.517 259 L N -0.147 120.940 121.223 -0.226 0.000 2.056 259 L HA 0.251 4.591 4.340 0.000 0.000 0.207 259 L C 1.316 178.199 176.870 0.022 0.000 1.078 259 L CA 2.128 56.875 54.840 -0.155 0.000 0.749 259 L CB -0.531 41.255 42.059 -0.455 0.000 0.901 259 L HN 0.909 nan 8.230 nan 0.000 0.433 260 Y N -6.017 114.256 120.300 -0.046 0.000 2.732 260 Y HA 0.422 4.972 4.550 0.000 0.000 0.342 260 Y C -3.039 172.485 175.900 -0.626 0.000 1.203 260 Y CA -2.702 55.133 58.100 -0.442 0.000 1.092 260 Y CB -0.096 38.149 38.460 -0.358 0.000 1.345 260 Y HN -0.331 nan 8.280 nan 0.000 0.458 261 P HA 0.008 nan 4.420 nan 0.000 0.260 261 P C -0.531 176.616 177.300 -0.254 0.000 1.172 261 P CA 1.570 64.275 63.100 -0.658 0.000 0.760 261 P CB 0.214 31.489 31.700 -0.707 0.000 0.773 262 E N 0.459 120.473 120.200 -0.311 0.000 2.971 262 E HA -0.254 4.096 4.350 0.000 0.000 0.278 262 E C 0.921 177.389 176.600 -0.220 0.000 1.009 262 E CA 0.842 57.065 56.400 -0.295 0.000 0.862 262 E CB -2.050 27.496 29.700 -0.256 0.000 1.436 262 E HN 0.656 nan 8.360 nan 0.000 0.434 263 S N -0.364 115.086 115.700 -0.416 0.000 2.423 263 S HA -0.109 4.361 4.470 0.000 0.000 0.231 263 S C 0.797 175.238 174.600 -0.265 0.000 1.014 263 S CA 0.542 58.327 58.200 -0.691 0.000 0.965 263 S CB 0.205 62.523 63.200 -1.469 0.000 0.785 263 S HN 0.205 nan 8.310 nan 0.000 0.495 264 E N 2.741 122.831 120.200 -0.185 0.000 2.289 264 E HA 0.242 4.592 4.350 0.000 0.000 0.278 264 E C -1.681 174.899 176.600 -0.032 0.000 1.032 264 E CA -2.707 53.665 56.400 -0.047 0.000 0.854 264 E CB 0.857 30.523 29.700 -0.056 0.000 1.046 264 E HN 0.238 nan 8.360 nan 0.000 0.409 265 P HA -0.152 nan 4.420 nan 0.000 0.217 265 P C 0.560 177.877 177.300 0.028 0.000 1.150 265 P CA 1.219 64.351 63.100 0.054 0.000 0.832 265 P CB 0.552 32.321 31.700 0.115 0.000 0.787 266 E N -0.011 120.214 120.200 0.042 0.000 2.051 266 E HA -0.103 4.247 4.350 0.000 0.000 0.192 266 E C 2.205 178.800 176.600 -0.009 0.000 0.991 266 E CA 0.938 57.365 56.400 0.046 0.000 0.799 266 E CB -1.316 28.433 29.700 0.082 0.000 0.748 266 E HN 0.029 nan 8.360 nan 0.000 0.449 267 V N 0.947 120.781 119.914 -0.133 0.000 2.358 267 V HA -0.246 3.874 4.120 0.000 0.000 0.246 267 V C 2.195 178.115 176.094 -0.290 0.000 1.047 267 V CA 1.663 63.739 62.300 -0.373 0.000 1.035 267 V CB -0.393 30.990 31.823 -0.733 0.000 0.658 267 V HN 0.127 nan 8.190 nan 0.000 0.452 268 K N 0.938 121.224 120.400 -0.190 0.000 2.063 268 K HA -0.150 4.170 4.320 0.000 0.000 0.208 268 K C 2.123 178.704 176.600 -0.030 0.000 1.048 268 K CA 1.774 57.994 56.287 -0.112 0.000 0.928 268 K CB -0.884 31.581 32.500 -0.058 0.000 0.713 268 K HN 0.410 nan 8.250 nan 0.000 0.442 269 A N -0.129 122.694 122.820 0.004 0.000 1.873 269 A HA -0.180 4.141 4.320 0.000 0.000 0.218 269 A C 2.390 180.042 177.584 0.113 0.000 1.193 269 A CA 2.209 54.278 52.037 0.054 0.000 0.629 269 A CB -0.945 18.078 19.000 0.038 0.000 0.826 269 A HN 0.130 nan 8.150 nan 0.000 0.447 270 V N -0.530 119.458 119.914 0.124 0.000 2.323 270 V HA -0.161 3.959 4.120 0.000 0.000 0.244 270 V C 3.059 179.251 176.094 0.163 0.000 1.041 270 V CA 1.882 64.297 62.300 0.192 0.000 1.025 270 V CB -1.097 30.934 31.823 0.347 0.000 0.656 270 V HN 0.630 nan 8.190 nan 0.000 0.451 271 A N -0.661 122.222 122.820 0.105 0.000 1.972 271 A HA -0.188 4.132 4.320 0.000 0.000 0.219 271 A C 2.463 180.148 177.584 0.168 0.000 1.169 271 A CA 2.212 54.286 52.037 0.061 0.000 0.635 271 A CB -0.559 18.244 19.000 -0.330 0.000 0.810 271 A HN 0.511 nan 8.150 nan 0.000 0.446 272 S N -1.235 114.528 115.700 0.104 0.000 2.357 272 S HA -0.082 4.389 4.470 0.000 0.000 0.221 272 S C 1.640 176.306 174.600 0.110 0.000 1.031 272 S CA 1.196 59.454 58.200 0.097 0.000 0.982 272 S CB -0.524 62.721 63.200 0.074 0.000 0.853 272 S HN 0.636 nan 8.310 nan 0.000 0.458 273 F N 2.226 122.178 119.950 0.003 0.000 2.154 273 F HA -0.131 4.396 4.527 0.000 0.000 0.301 273 F C 1.756 177.509 175.800 -0.078 0.000 1.087 273 F CA 1.306 59.289 58.000 -0.028 0.000 1.274 273 F CB -0.241 38.751 39.000 -0.013 0.000 1.009 273 F HN 0.105 nan 8.300 nan 0.000 0.485 274 L N -0.403 120.858 121.223 0.063 0.000 2.095 274 L HA -0.117 4.223 4.340 0.000 0.000 0.204 274 L C 2.644 179.472 176.870 -0.070 0.000 1.080 274 L CA 1.021 55.832 54.840 -0.048 0.000 0.759 274 L CB -0.562 41.509 42.059 0.020 0.000 0.914 274 L HN -0.026 nan 8.230 nan 0.000 0.439 275 R N -0.226 120.296 120.500 0.037 0.000 2.091 275 R HA -0.213 4.127 4.340 0.000 0.000 0.238 275 R C 2.397 178.652 176.300 -0.075 0.000 1.136 275 R CA 1.572 57.677 56.100 0.007 0.000 0.959 275 R CB -0.351 29.996 30.300 0.079 0.000 0.856 275 R HN 0.245 nan 8.270 nan 0.000 0.437 276 R N 0.622 121.047 120.500 -0.125 0.000 2.127 276 R HA -0.073 4.267 4.340 0.000 0.000 0.238 276 R C 0.601 176.766 176.300 -0.226 0.000 1.134 276 R CA 1.445 57.442 56.100 -0.172 0.000 0.975 276 R CB 0.082 30.253 30.300 -0.216 0.000 0.865 276 R HN 0.247 nan 8.270 nan 0.000 0.447 277 N N 0.276 118.782 118.700 -0.324 0.000 2.338 277 N HA 0.025 4.766 4.740 0.000 0.000 0.251 277 N C 0.624 176.051 175.510 -0.139 0.000 1.199 277 N CA -0.013 52.870 53.050 -0.278 0.000 0.879 277 N CB 0.693 38.870 38.487 -0.517 0.000 1.159 277 N HN 0.214 nan 8.380 nan 0.000 0.514 278 I N 1.036 121.538 120.570 -0.113 0.000 2.614 278 I HA -0.166 4.004 4.170 0.000 0.000 0.258 278 I C 1.706 177.795 176.117 -0.046 0.000 1.189 278 I CA 1.078 62.328 61.300 -0.082 0.000 1.462 278 I CB 0.125 38.068 38.000 -0.095 0.000 1.092 278 I HN 0.147 nan 8.210 nan 0.000 0.442 279 N N 0.060 118.738 118.700 -0.037 0.000 2.331 279 N HA -0.166 4.574 4.740 0.000 0.000 0.180 279 N C 1.604 177.120 175.510 0.011 0.000 1.019 279 N CA 0.992 54.032 53.050 -0.017 0.000 0.881 279 N CB 0.013 38.489 38.487 -0.018 0.000 0.972 279 N HN 0.431 nan 8.380 nan 0.000 0.435 280 Q N 0.862 120.681 119.800 0.032 0.000 2.165 280 Q HA 0.191 4.531 4.340 0.000 0.000 0.197 280 Q C 0.428 176.490 176.000 0.104 0.000 0.952 280 Q CA 0.203 56.050 55.803 0.074 0.000 0.848 280 Q CB 0.003 28.814 28.738 0.123 0.000 0.931 280 Q HN 0.213 nan 8.270 nan 0.000 0.470 281 I N 2.068 122.712 120.570 0.124 0.000 2.664 281 I HA -0.119 4.051 4.170 0.000 0.000 0.284 281 I C 0.843 177.035 176.117 0.126 0.000 1.154 281 I CA 0.545 61.950 61.300 0.175 0.000 1.402 281 I CB 0.553 38.666 38.000 0.187 0.000 1.395 281 I HN -0.005 nan 8.210 nan 0.000 0.545 282 K N 5.404 125.894 120.400 0.150 0.000 2.360 282 K HA 0.501 4.822 4.320 0.000 0.000 0.196 282 K C -0.031 176.728 176.600 0.265 0.000 1.049 282 K CA 0.115 56.503 56.287 0.167 0.000 1.049 282 K CB 0.773 33.361 32.500 0.145 0.000 0.881 282 K HN 0.585 nan 8.250 nan 0.000 0.542 283 A N 0.510 123.499 122.820 0.282 0.000 2.594 283 A HA 0.609 4.929 4.320 0.000 0.000 0.295 283 A C -2.097 175.750 177.584 0.440 0.000 1.071 283 A CA -0.675 51.586 52.037 0.374 0.000 0.685 283 A CB 1.200 20.416 19.000 0.360 0.000 1.285 283 A HN 0.148 nan 8.150 nan 0.000 0.405 284 Y N 1.778 122.276 120.300 0.331 0.000 2.346 284 Y HA 0.732 5.282 4.550 0.000 0.000 0.332 284 Y C -1.345 174.798 175.900 0.407 0.000 0.985 284 Y CA -0.783 57.544 58.100 0.378 0.000 1.112 284 Y CB 1.295 39.889 38.460 0.222 0.000 1.170 284 Y HN 0.582 nan 8.280 nan 0.000 0.447 285 I N 5.531 126.073 120.570 -0.048 0.000 2.447 285 I HA 0.325 4.495 4.170 0.000 0.000 0.287 285 I C -0.613 175.355 176.117 -0.248 0.000 1.023 285 I CA -0.806 60.484 61.300 -0.017 0.000 1.083 285 I CB 1.927 39.960 38.000 0.055 0.000 1.245 285 I HN 0.551 nan 8.210 nan 0.000 0.434 286 S N 7.712 123.351 115.700 -0.102 0.000 2.474 286 S HA 0.582 5.052 4.470 0.000 0.000 0.321 286 S C -0.275 174.359 174.600 0.056 0.000 1.080 286 S CA -0.783 57.405 58.200 -0.021 0.000 1.106 286 S CB 0.606 63.945 63.200 0.231 0.000 0.984 286 S HN 0.404 nan 8.310 nan 0.000 0.464 287 M N 5.551 125.087 119.600 -0.106 0.000 2.188 287 M HA 0.460 4.940 4.480 0.000 0.000 0.357 287 M C 0.016 176.167 176.300 -0.249 0.000 1.204 287 M CA 0.007 55.245 55.300 -0.103 0.000 1.095 287 M CB 0.552 33.093 32.600 -0.098 0.000 1.604 287 M HN 0.698 nan 8.290 nan 0.000 0.464 288 H N -0.143 118.990 119.070 0.106 0.000 2.966 288 H HA 0.653 5.210 4.556 0.000 0.000 0.330 288 H C -0.674 174.753 175.328 0.165 0.000 1.292 288 H CA -0.512 55.638 56.048 0.171 0.000 1.127 288 H CB 2.132 32.015 29.762 0.202 0.000 1.863 288 H HN 0.724 nan 8.280 nan 0.000 0.543 289 S N -0.196 115.733 115.700 0.381 0.000 2.720 289 S HA 0.591 5.061 4.470 0.000 0.000 0.287 289 S C -1.242 173.531 174.600 0.289 0.000 1.168 289 S CA -0.745 57.635 58.200 0.299 0.000 0.832 289 S CB 1.880 65.262 63.200 0.302 0.000 1.166 289 S HN 0.607 nan 8.310 nan 0.000 0.493 290 Y N -1.425 118.886 120.300 0.018 0.000 2.699 290 Y HA 0.909 5.459 4.550 0.000 0.000 0.326 290 Y C 0.811 176.672 175.900 -0.065 0.000 1.141 290 Y CA -0.434 57.614 58.100 -0.086 0.000 1.246 290 Y CB 0.952 39.264 38.460 -0.247 0.000 1.426 290 Y HN 0.782 nan 8.280 nan 0.000 0.559 291 S N -2.374 113.338 115.700 0.020 0.000 2.501 291 S HA -0.163 4.307 4.470 0.000 0.000 0.215 291 S C -0.806 173.571 174.600 -0.372 0.000 0.766 291 S CA -0.009 58.117 58.200 -0.124 0.000 0.991 291 S CB -1.024 62.169 63.200 -0.011 0.000 0.895 291 S HN 0.879 nan 8.310 nan 0.000 0.574 292 Q N 2.113 121.628 119.800 -0.474 0.000 2.438 292 Q HA -0.194 4.146 4.340 0.000 0.000 0.356 292 Q C -0.771 174.693 176.000 -0.893 0.000 1.438 292 Q CA 1.046 56.219 55.803 -1.050 0.000 0.973 292 Q CB -2.009 25.923 28.738 -1.343 0.000 1.151 292 Q HN 0.776 nan 8.270 nan 0.000 0.328 293 H N 1.001 119.954 119.070 -0.194 0.000 2.946 293 H HA 0.757 5.313 4.556 0.000 0.000 0.365 293 H C 0.057 175.518 175.328 0.221 0.000 1.197 293 H CA -0.820 55.260 56.048 0.054 0.000 1.131 293 H CB 2.085 31.851 29.762 0.007 0.000 1.849 293 H HN 0.530 nan 8.280 nan 0.000 0.555 294 I N -0.039 120.772 120.570 0.402 0.000 2.439 294 I HA 0.524 4.694 4.170 0.000 0.000 0.285 294 I C -1.375 174.957 176.117 0.358 0.000 1.021 294 I CA -0.697 60.803 61.300 0.333 0.000 1.091 294 I CB 1.332 39.471 38.000 0.231 0.000 1.242 294 I HN 0.089 nan 8.210 nan 0.000 0.439 295 V N 7.170 127.247 119.914 0.272 0.000 2.769 295 V HA 0.632 4.752 4.120 0.000 0.000 0.312 295 V C -0.344 175.876 176.094 0.209 0.000 1.058 295 V CA -0.389 61.944 62.300 0.056 0.000 0.952 295 V CB 1.919 33.683 31.823 -0.099 0.000 1.019 295 V HN 0.727 nan 8.190 nan 0.000 0.445 296 F N 1.969 121.965 119.950 0.077 0.000 2.620 296 F HA 0.836 5.364 4.527 0.000 0.000 0.320 296 F C -2.771 172.911 175.800 -0.196 0.000 1.069 296 F CA -3.541 54.392 58.000 -0.112 0.000 0.953 296 F CB 0.421 39.294 39.000 -0.213 0.000 1.322 296 F HN 0.228 nan 8.300 nan 0.000 0.479 297 P HA -0.119 nan 4.420 nan 0.000 0.272 297 P C -1.419 175.646 177.300 -0.392 0.000 1.194 297 P CA 0.956 63.784 63.100 -0.453 0.000 0.777 297 P CB -0.131 30.933 31.700 -1.060 0.000 0.814 298 Y N -1.249 118.869 120.300 -0.303 0.000 2.947 298 Y HA -0.154 4.397 4.550 0.000 0.000 0.124 298 Y C 1.109 176.873 175.900 -0.226 0.000 1.908 298 Y CA 0.383 58.261 58.100 -0.371 0.000 0.975 298 Y CB -3.006 35.252 38.460 -0.335 0.000 1.591 298 Y HN 0.260 nan 8.280 nan 0.000 0.340 299 S N -0.817 114.838 115.700 -0.075 0.000 2.503 299 S HA -0.016 4.454 4.470 0.000 0.000 0.215 299 S C 1.428 176.023 174.600 -0.008 0.000 1.003 299 S CA 0.443 58.579 58.200 -0.105 0.000 0.910 299 S CB -0.079 63.043 63.200 -0.131 0.000 0.790 299 S HN 0.695 nan 8.310 nan 0.000 0.514 300 Y N 1.960 122.323 120.300 0.105 0.000 2.516 300 Y HA 0.403 4.953 4.550 0.000 0.000 0.291 300 Y C 0.810 176.759 175.900 0.081 0.000 1.131 300 Y CA 0.355 58.518 58.100 0.105 0.000 1.281 300 Y CB -0.642 37.917 38.460 0.165 0.000 1.013 300 Y HN 0.105 nan 8.280 nan 0.000 0.554 301 T N 0.203 114.731 114.554 -0.044 0.000 2.896 301 T HA 0.412 4.762 4.350 0.000 0.000 0.297 301 T C 0.205 174.896 174.700 -0.016 0.000 1.108 301 T CA -0.918 61.180 62.100 -0.002 0.000 1.004 301 T CB 1.608 70.460 68.868 -0.026 0.000 1.159 301 T HN 0.249 nan 8.240 nan 0.000 0.499 302 R N 1.105 121.612 120.500 0.012 0.000 2.310 302 R HA 0.202 4.542 4.340 0.000 0.000 0.202 302 R C 0.533 176.912 176.300 0.131 0.000 0.933 302 R CA -0.027 56.105 56.100 0.054 0.000 1.054 302 R CB 0.154 30.462 30.300 0.013 0.000 0.985 302 R HN 0.646 nan 8.270 nan 0.000 0.489 303 S N 0.367 116.106 115.700 0.065 0.000 2.654 303 S HA 0.363 4.833 4.470 0.000 0.000 0.283 303 S C -0.077 174.498 174.600 -0.042 0.000 1.180 303 S CA -0.997 57.207 58.200 0.007 0.000 1.021 303 S CB 2.035 65.232 63.200 -0.005 0.000 1.018 303 S HN -0.050 nan 8.310 nan 0.000 0.532 304 K N 1.008 121.276 120.400 -0.219 0.000 2.230 304 K HA 0.333 4.653 4.320 0.000 0.000 0.253 304 K C 0.273 176.891 176.600 0.029 0.000 1.008 304 K CA -0.300 55.757 56.287 -0.383 0.000 0.910 304 K CB 0.323 32.453 32.500 -0.616 0.000 0.994 304 K HN 0.652 nan 8.250 nan 0.000 0.495 305 S N 0.824 116.520 115.700 -0.006 0.000 2.655 305 S HA 0.058 4.528 4.470 0.000 0.000 0.265 305 S C 1.151 175.821 174.600 0.117 0.000 1.240 305 S CA -0.814 57.384 58.200 -0.004 0.000 0.986 305 S CB 1.188 64.087 63.200 -0.502 0.000 0.985 305 S HN 0.624 nan 8.310 nan 0.000 0.562 306 K N 0.555 121.068 120.400 0.188 0.000 2.097 306 K HA -0.134 4.186 4.320 0.000 0.000 0.206 306 K C 0.328 176.989 176.600 0.101 0.000 1.049 306 K CA 1.579 57.945 56.287 0.131 0.000 0.933 306 K CB -0.110 32.453 32.500 0.105 0.000 0.717 306 K HN 0.542 nan 8.250 nan 0.000 0.442 307 D N -0.882 119.588 120.400 0.117 0.000 2.340 307 D HA -0.051 4.589 4.640 0.000 0.000 0.217 307 D C 1.048 177.340 176.300 -0.013 0.000 1.081 307 D CA 0.134 54.160 54.000 0.043 0.000 0.842 307 D CB 0.095 40.918 40.800 0.040 0.000 0.934 307 D HN 0.392 nan 8.370 nan 0.000 0.511 308 H N 2.009 121.035 119.070 -0.073 0.000 2.394 308 H HA -0.151 4.405 4.556 0.000 0.000 0.297 308 H C 1.769 177.066 175.328 -0.052 0.000 1.113 308 H CA 1.823 57.839 56.048 -0.053 0.000 1.277 308 H CB 0.392 30.128 29.762 -0.044 0.000 1.370 308 H HN 0.106 nan 8.280 nan 0.000 0.506 309 E N -0.174 120.025 120.200 -0.002 0.000 2.072 309 E HA -0.182 4.169 4.350 0.000 0.000 0.191 309 E C 2.204 178.733 176.600 -0.118 0.000 0.985 309 E CA 1.113 57.486 56.400 -0.044 0.000 0.801 309 E CB -0.042 29.684 29.700 0.044 0.000 0.750 309 E HN 0.687 nan 8.360 nan 0.000 0.452 310 E N 0.786 120.933 120.200 -0.088 0.000 2.072 310 E HA -0.137 4.213 4.350 0.000 0.000 0.190 310 E C 2.228 178.719 176.600 -0.181 0.000 0.982 310 E CA 0.381 56.746 56.400 -0.059 0.000 0.803 310 E CB 0.064 29.802 29.700 0.063 0.000 0.755 310 E HN 0.151 nan 8.360 nan 0.000 0.453 311 L N 0.502 121.536 121.223 -0.314 0.000 2.191 311 L HA -0.142 4.199 4.340 0.000 0.000 0.212 311 L C 2.601 178.890 176.870 -0.967 0.000 1.103 311 L CA 0.659 55.165 54.840 -0.557 0.000 0.769 311 L CB -0.178 41.420 42.059 -0.768 0.000 0.908 311 L HN 0.074 nan 8.230 nan 0.000 0.438 312 S N -0.141 115.053 115.700 -0.844 0.000 2.357 312 S HA -0.078 4.392 4.470 0.000 0.000 0.221 312 S C 1.937 176.378 174.600 -0.265 0.000 1.031 312 S CA 1.064 58.984 58.200 -0.466 0.000 0.982 312 S CB -0.181 62.900 63.200 -0.198 0.000 0.853 312 S HN 0.243 nan 8.310 nan 0.000 0.458 313 L N 1.034 122.129 121.223 -0.214 0.000 2.083 313 L HA -0.098 4.243 4.340 0.000 0.000 0.209 313 L C 2.260 178.991 176.870 -0.233 0.000 1.083 313 L CA 0.786 55.527 54.840 -0.165 0.000 0.752 313 L CB -0.635 41.370 42.059 -0.091 0.000 0.899 313 L HN 0.172 nan 8.230 nan 0.000 0.433 314 V N -0.182 119.550 119.914 -0.303 0.000 2.237 314 V HA -0.305 3.815 4.120 0.000 0.000 0.245 314 V C 2.739 178.639 176.094 -0.323 0.000 1.046 314 V CA 1.888 63.968 62.300 -0.366 0.000 1.007 314 V CB -1.038 30.564 31.823 -0.367 0.000 0.638 314 V HN 0.487 nan 8.190 nan 0.000 0.445 315 A N 0.679 123.331 122.820 -0.280 0.000 1.908 315 A HA -0.242 4.079 4.320 0.000 0.000 0.218 315 A C 2.553 179.914 177.584 -0.370 0.000 1.181 315 A CA 2.543 54.461 52.037 -0.199 0.000 0.627 315 A CB -0.852 18.248 19.000 0.166 0.000 0.818 315 A HN 0.699 nan 8.150 nan 0.000 0.445 316 S N -0.600 114.729 115.700 -0.619 0.000 2.428 316 S HA -0.149 4.321 4.470 0.000 0.000 0.230 316 S C 1.744 176.162 174.600 -0.302 0.000 1.014 316 S CA 1.391 59.154 58.200 -0.727 0.000 0.957 316 S CB -0.266 62.563 63.200 -0.618 0.000 0.784 316 S HN 0.688 nan 8.310 nan 0.000 0.499 317 E N 0.926 120.980 120.200 -0.243 0.000 2.285 317 E HA 0.149 4.499 4.350 0.000 0.000 0.194 317 E C 1.933 178.440 176.600 -0.156 0.000 0.997 317 E CA 0.687 56.990 56.400 -0.161 0.000 0.845 317 E CB -0.346 29.271 29.700 -0.138 0.000 0.782 317 E HN 0.701 nan 8.360 nan 0.000 0.491 318 A N 0.110 122.810 122.820 -0.200 0.000 1.970 318 A HA -0.021 4.299 4.320 0.000 0.000 0.216 318 A C 2.237 179.717 177.584 -0.174 0.000 1.170 318 A CA 0.754 52.677 52.037 -0.190 0.000 0.645 318 A CB -0.202 18.648 19.000 -0.250 0.000 0.816 318 A HN 0.194 nan 8.150 nan 0.000 0.447 319 V N -0.054 119.768 119.914 -0.153 0.000 2.427 319 V HA -0.187 3.934 4.120 0.000 0.000 0.248 319 V C 2.546 178.588 176.094 -0.087 0.000 1.051 319 V CA 2.012 64.251 62.300 -0.101 0.000 1.048 319 V CB -0.790 31.052 31.823 0.032 0.000 0.666 319 V HN 0.575 nan 8.190 nan 0.000 0.456 320 R N 0.127 120.578 120.500 -0.082 0.000 2.096 320 R HA -0.152 4.188 4.340 0.000 0.000 0.235 320 R C 2.364 178.625 176.300 -0.065 0.000 1.127 320 R CA 1.511 57.576 56.100 -0.057 0.000 0.968 320 R CB -0.404 29.863 30.300 -0.054 0.000 0.861 320 R HN 0.514 nan 8.270 nan 0.000 0.440 321 A N 0.980 123.750 122.820 -0.083 0.000 1.908 321 A HA -0.167 4.153 4.320 0.000 0.000 0.218 321 A C 2.107 179.637 177.584 -0.089 0.000 1.181 321 A CA 1.345 53.337 52.037 -0.074 0.000 0.627 321 A CB -0.486 18.471 19.000 -0.072 0.000 0.818 321 A HN 0.317 nan 8.150 nan 0.000 0.445 322 I N -0.923 119.558 120.570 -0.148 0.000 2.226 322 I HA -0.236 3.934 4.170 0.000 0.000 0.245 322 I C 2.515 178.558 176.117 -0.123 0.000 1.100 322 I CA 1.636 62.811 61.300 -0.208 0.000 1.374 322 I CB -0.305 37.422 38.000 -0.454 0.000 1.057 322 I HN 0.328 nan 8.210 nan 0.000 0.413 323 E N 0.830 120.984 120.200 -0.076 0.000 2.072 323 E HA -0.191 4.159 4.350 0.000 0.000 0.191 323 E C 2.143 178.731 176.600 -0.020 0.000 0.985 323 E CA 1.153 57.538 56.400 -0.025 0.000 0.801 323 E CB 0.038 29.737 29.700 -0.001 0.000 0.750 323 E HN 0.274 nan 8.360 nan 0.000 0.452 324 K N -0.400 119.983 120.400 -0.028 0.000 2.057 324 K HA -0.111 4.209 4.320 0.000 0.000 0.206 324 K C 2.335 178.925 176.600 -0.018 0.000 1.050 324 K CA 1.716 57.991 56.287 -0.021 0.000 0.935 324 K CB -0.217 32.268 32.500 -0.025 0.000 0.715 324 K HN 0.286 nan 8.250 nan 0.000 0.439 325 T N -1.272 113.267 114.554 -0.025 0.000 2.737 325 T HA -0.103 4.247 4.350 0.000 0.000 0.265 325 T C 1.157 175.851 174.700 -0.009 0.000 1.038 325 T CA 1.148 63.238 62.100 -0.015 0.000 1.144 325 T CB -0.183 68.676 68.868 -0.015 0.000 0.866 325 T HN 0.120 nan 8.240 nan 0.000 0.434 326 S N 0.970 116.662 115.700 -0.013 0.000 2.718 326 S HA 0.599 5.069 4.470 0.000 0.000 0.294 326 S C -0.259 174.350 174.600 0.015 0.000 1.157 326 S CA -0.901 57.302 58.200 0.005 0.000 1.121 326 S CB 0.978 64.182 63.200 0.006 0.000 1.015 326 S HN 0.682 nan 8.310 nan 0.000 0.479 327 K N 2.405 122.816 120.400 0.019 0.000 1.898 327 K HA -0.230 4.091 4.320 0.000 0.000 0.256 327 K C -0.778 175.837 176.600 0.025 0.000 1.652 327 K CA 1.123 57.425 56.287 0.025 0.000 0.589 327 K CB -1.146 31.376 32.500 0.036 0.000 0.785 327 K HN 0.612 nan 8.250 nan 0.000 0.824 328 N N 1.275 119.993 118.700 0.030 0.000 3.025 328 N HA 0.179 4.919 4.740 0.000 0.000 0.315 328 N C -1.182 174.352 175.510 0.040 0.000 1.511 328 N CA 0.013 53.081 53.050 0.031 0.000 1.097 328 N CB 0.860 39.362 38.487 0.025 0.000 1.395 328 N HN 0.309 nan 8.380 nan 0.000 0.511 329 T N 0.796 115.381 114.554 0.053 0.000 2.898 329 T HA 0.321 4.671 4.350 0.000 0.000 0.301 329 T C 0.520 175.285 174.700 0.109 0.000 1.049 329 T CA 0.016 62.169 62.100 0.088 0.000 1.095 329 T CB 1.018 69.959 68.868 0.122 0.000 0.976 329 T HN 0.138 nan 8.240 nan 0.000 0.539 330 R N 1.434 122.018 120.500 0.141 0.000 2.502 330 R HA 0.343 4.683 4.340 0.000 0.000 0.298 330 R C -1.374 175.056 176.300 0.216 0.000 1.018 330 R CA -0.538 55.651 56.100 0.150 0.000 0.899 330 R CB 1.576 31.916 30.300 0.066 0.000 1.181 330 R HN 0.651 nan 8.270 nan 0.000 0.444 331 Y N 0.704 120.997 120.300 -0.012 0.000 2.457 331 Y HA 0.381 4.931 4.550 0.000 0.000 0.333 331 Y C 0.900 176.824 175.900 0.040 0.000 1.119 331 Y CA -0.654 57.434 58.100 -0.021 0.000 1.143 331 Y CB 2.367 40.831 38.460 0.007 0.000 1.230 331 Y HN 0.486 nan 8.280 nan 0.000 0.469 332 T N -0.554 114.090 114.554 0.151 0.000 2.940 332 T HA 0.475 4.825 4.350 0.000 0.000 0.288 332 T C -0.994 173.915 174.700 0.348 0.000 1.033 332 T CA -0.956 61.273 62.100 0.214 0.000 1.033 332 T CB 1.591 70.542 68.868 0.139 0.000 1.079 332 T HN 0.687 nan 8.240 nan 0.000 0.496 333 H N -1.269 117.936 119.070 0.225 0.000 2.768 333 H HA 0.826 5.383 4.556 0.000 0.000 0.371 333 H C -0.279 175.146 175.328 0.161 0.000 1.151 333 H CA -1.259 54.931 56.048 0.237 0.000 1.165 333 H CB 1.694 31.632 29.762 0.292 0.000 1.722 333 H HN 1.207 nan 8.280 nan 0.000 0.543 334 G N 1.075 109.901 108.800 0.042 0.000 2.316 334 G HA2 0.130 4.090 3.960 0.000 0.000 0.296 334 G HA3 0.130 4.090 3.960 0.000 0.000 0.296 334 G C -1.375 173.045 174.900 -0.799 0.000 1.399 334 G CA -0.811 44.162 45.100 -0.211 0.000 0.833 334 G HN 1.116 nan 8.290 nan 0.000 0.565 335 H N -0.279 118.306 119.070 -0.808 0.000 2.707 335 H HA 0.389 4.945 4.556 0.000 0.000 0.359 335 H C 1.532 176.601 175.328 -0.432 0.000 1.113 335 H CA 0.190 55.805 56.048 -0.723 0.000 1.422 335 H CB 1.004 30.587 29.762 -0.297 0.000 1.443 335 H HN 0.859 nan 8.280 nan 0.000 0.591 336 G N 1.823 110.365 108.800 -0.431 0.000 2.479 336 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 336 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 336 G C 1.206 175.823 174.900 -0.473 0.000 1.115 336 G CA 0.848 45.690 45.100 -0.430 0.000 0.757 336 G HN 0.732 nan 8.290 nan 0.000 0.560 337 S N -1.069 114.324 115.700 -0.510 0.000 2.671 337 S HA 0.307 4.777 4.470 0.000 0.000 0.220 337 S C 1.201 175.558 174.600 -0.404 0.000 0.951 337 S CA 0.390 58.358 58.200 -0.386 0.000 0.932 337 S CB 0.361 63.421 63.200 -0.234 0.000 0.777 337 S HN 0.544 nan 8.310 nan 0.000 0.508 338 E N 0.339 120.227 120.200 -0.519 0.000 2.879 338 E HA 0.048 4.398 4.350 0.000 0.000 0.206 338 E C 1.270 177.708 176.600 -0.270 0.000 0.969 338 E CA 0.549 56.746 56.400 -0.338 0.000 1.496 338 E CB -0.339 29.169 29.700 -0.321 0.000 1.454 338 E HN 0.314 nan 8.360 nan 0.000 0.750 339 T N 2.286 116.634 114.554 -0.344 0.000 2.652 339 T HA -0.097 4.253 4.350 0.000 0.000 0.267 339 T C 1.846 176.306 174.700 -0.400 0.000 1.039 339 T CA 1.284 63.175 62.100 -0.348 0.000 1.153 339 T CB -0.091 68.527 68.868 -0.416 0.000 0.863 339 T HN -0.042 nan 8.240 nan 0.000 0.428 340 L N -1.659 119.310 121.223 -0.423 0.000 2.597 340 L HA 0.363 4.703 4.340 0.000 0.000 0.188 340 L C -0.101 176.706 176.870 -0.104 0.000 1.333 340 L CA -0.193 54.457 54.840 -0.317 0.000 1.543 340 L CB 0.267 41.982 42.059 -0.572 0.000 1.504 340 L HN 0.418 nan 8.230 nan 0.000 0.813 341 Y N -3.496 116.694 120.300 -0.183 0.000 2.741 341 Y HA 0.422 4.972 4.550 0.000 0.000 0.339 341 Y C -1.137 174.695 175.900 -0.113 0.000 1.226 341 Y CA -1.529 56.489 58.100 -0.136 0.000 1.072 341 Y CB 0.217 38.612 38.460 -0.108 0.000 1.331 341 Y HN -0.077 nan 8.280 nan 0.000 0.453 342 L N 2.396 123.662 121.223 0.072 0.000 2.534 342 L HA 0.486 4.826 4.340 0.000 0.000 0.271 342 L C 0.091 177.024 176.870 0.105 0.000 1.178 342 L CA 0.501 55.363 54.840 0.036 0.000 0.907 342 L CB 0.679 42.765 42.059 0.045 0.000 1.164 342 L HN 0.832 nan 8.230 nan 0.000 0.482 343 A N 6.270 129.105 122.820 0.026 0.000 3.156 343 A HA 0.483 4.803 4.320 0.000 0.000 0.311 343 A C -2.653 174.995 177.584 0.106 0.000 1.129 343 A CA -0.912 51.155 52.037 0.050 0.000 0.809 343 A CB 0.312 19.225 19.000 -0.145 0.000 1.257 343 A HN 0.350 nan 8.150 nan 0.000 0.491 344 P HA 0.533 nan 4.420 nan 0.000 0.293 344 P C 0.585 177.973 177.300 0.147 0.000 1.313 344 P CA 0.482 63.697 63.100 0.191 0.000 0.787 344 P CB 1.272 33.063 31.700 0.151 0.000 0.910 345 G N 1.836 110.794 108.800 0.264 0.000 2.165 345 G HA2 0.055 4.015 3.960 0.000 0.000 0.144 345 G HA3 0.055 4.015 3.960 0.000 0.000 0.144 345 G C 0.123 175.263 174.900 0.400 0.000 1.049 345 G CA -0.308 45.003 45.100 0.352 0.000 0.741 345 G HN 0.801 nan 8.290 nan 0.000 0.493 346 G N -0.515 108.484 108.800 0.333 0.000 2.356 346 G HA2 0.606 4.567 3.960 0.000 0.000 0.322 346 G HA3 0.606 4.567 3.960 0.000 0.000 0.322 346 G C 1.224 176.154 174.900 0.050 0.000 1.125 346 G CA 0.191 45.435 45.100 0.240 0.000 0.885 346 G HN 1.038 nan 8.290 nan 0.000 0.467 347 G N 1.542 110.039 108.800 -0.505 0.000 2.507 347 G HA2 -0.289 3.672 3.960 0.000 0.000 0.221 347 G HA3 -0.289 3.672 3.960 0.000 0.000 0.221 347 G C 1.388 176.045 174.900 -0.405 0.000 1.119 347 G CA 1.646 46.147 45.100 -0.998 0.000 0.751 347 G HN 0.716 nan 8.290 nan 0.000 0.574 348 D N 0.727 121.029 120.400 -0.164 0.000 2.149 348 D HA -0.076 4.564 4.640 0.000 0.000 0.201 348 D C 1.428 177.714 176.300 -0.024 0.000 0.972 348 D CA 1.211 55.146 54.000 -0.108 0.000 0.835 348 D CB -0.608 40.317 40.800 0.207 0.000 0.966 348 D HN 0.200 nan 8.370 nan 0.000 0.476 349 D N -0.115 120.359 120.400 0.124 0.000 2.183 349 D HA -0.074 4.566 4.640 0.000 0.000 0.203 349 D C 1.713 178.234 176.300 0.368 0.000 0.969 349 D CA 0.517 54.693 54.000 0.294 0.000 0.842 349 D CB -0.639 40.474 40.800 0.522 0.000 0.957 349 D HN 0.408 nan 8.370 nan 0.000 0.484 350 W N 1.850 123.210 121.300 0.100 0.000 2.353 350 W HA -0.091 4.570 4.660 0.000 0.000 0.319 350 W C 1.937 178.450 176.519 -0.009 0.000 1.207 350 W CA 0.965 58.345 57.345 0.058 0.000 1.291 350 W CB -0.632 28.834 29.460 0.010 0.000 1.159 350 W HN -0.195 nan 8.180 nan 0.000 0.478 351 I N 0.245 120.375 120.570 -0.733 0.000 2.264 351 I HA -0.333 3.837 4.170 0.000 0.000 0.248 351 I C 2.418 178.223 176.117 -0.521 0.000 1.111 351 I CA 1.955 62.636 61.300 -1.031 0.000 1.382 351 I CB -1.035 36.484 38.000 -0.803 0.000 1.060 351 I HN 0.128 nan 8.210 nan 0.000 0.418 352 Y N 2.303 122.384 120.300 -0.364 0.000 2.097 352 Y HA -0.319 4.231 4.550 0.000 0.000 0.282 352 Y C 2.207 177.994 175.900 -0.189 0.000 1.152 352 Y CA 1.943 59.892 58.100 -0.251 0.000 1.136 352 Y CB -0.445 37.881 38.460 -0.223 0.000 0.975 352 Y HN 0.210 nan 8.280 nan 0.000 0.498 353 D N 0.057 120.421 120.400 -0.059 0.000 2.265 353 D HA -0.159 4.481 4.640 0.000 0.000 0.208 353 D C 1.763 177.935 176.300 -0.214 0.000 0.977 353 D CA 1.317 55.281 54.000 -0.060 0.000 0.871 353 D CB -0.293 40.590 40.800 0.139 0.000 0.925 353 D HN 0.427 nan 8.370 nan 0.000 0.485 354 L N -1.580 119.430 121.223 -0.356 0.000 2.607 354 L HA 0.345 4.685 4.340 0.000 0.000 0.228 354 L C 1.319 177.998 176.870 -0.319 0.000 1.123 354 L CA 0.990 55.614 54.840 -0.360 0.000 0.890 354 L CB 0.549 42.255 42.059 -0.589 0.000 1.103 354 L HN 0.118 nan 8.230 nan 0.000 0.468 355 G N -0.608 107.986 108.800 -0.342 0.000 2.699 355 G HA2 -0.137 3.823 3.960 0.000 0.000 0.198 355 G HA3 -0.137 3.823 3.960 0.000 0.000 0.198 355 G C 0.000 174.732 174.900 -0.281 0.000 1.033 355 G CA -0.077 44.849 45.100 -0.290 0.000 0.728 355 G HN 0.058 nan 8.290 nan 0.000 0.484 356 I N 3.040 123.456 120.570 -0.258 0.000 2.483 356 I HA 0.211 4.381 4.170 0.000 0.000 0.291 356 I C 1.482 177.511 176.117 -0.146 0.000 1.112 356 I CA 0.325 61.538 61.300 -0.146 0.000 1.350 356 I CB 0.675 38.627 38.000 -0.080 0.000 1.419 356 I HN 0.422 nan 8.210 nan 0.000 0.523 357 K N 5.948 126.216 120.400 -0.221 0.000 2.025 357 K HA -0.116 4.204 4.320 0.000 0.000 0.207 357 K C 0.073 176.506 176.600 -0.278 0.000 1.049 357 K CA 1.260 57.352 56.287 -0.324 0.000 0.933 357 K CB 0.038 32.164 32.500 -0.623 0.000 0.714 357 K HN 0.392 nan 8.250 nan 0.000 0.438 358 Y N 1.318 121.659 120.300 0.069 0.000 2.594 358 Y HA 0.172 4.722 4.550 0.000 0.000 0.344 358 Y C -0.196 175.685 175.900 -0.032 0.000 1.185 358 Y CA -0.424 57.700 58.100 0.040 0.000 1.565 358 Y CB 0.354 38.977 38.460 0.272 0.000 1.415 358 Y HN -0.078 nan 8.280 nan 0.000 0.488 359 S N 3.972 119.515 115.700 -0.263 0.000 2.478 359 S HA 0.816 5.286 4.470 0.000 0.000 0.312 359 S C -1.146 173.193 174.600 -0.436 0.000 1.094 359 S CA -0.445 57.700 58.200 -0.092 0.000 1.081 359 S CB 0.192 63.397 63.200 0.008 0.000 1.007 359 S HN 0.309 nan 8.310 nan 0.000 0.475 360 F N 1.473 121.617 119.950 0.324 0.000 2.588 360 F HA 0.466 4.993 4.527 0.000 0.000 0.310 360 F C 0.382 176.328 175.800 0.244 0.000 1.082 360 F CA -0.736 57.419 58.000 0.258 0.000 0.929 360 F CB 2.448 41.569 39.000 0.201 0.000 1.254 360 F HN 0.327 nan 8.300 nan 0.000 0.455 361 T N 3.665 118.470 114.554 0.419 0.000 2.797 361 T HA 0.643 4.993 4.350 0.000 0.000 0.279 361 T C -0.456 174.414 174.700 0.284 0.000 0.991 361 T CA -0.387 61.910 62.100 0.329 0.000 0.979 361 T CB 0.739 69.755 68.868 0.248 0.000 0.943 361 T HN 0.319 nan 8.240 nan 0.000 0.444 362 I N 3.019 123.727 120.570 0.230 0.000 2.355 362 I HA 0.289 4.459 4.170 0.000 0.000 0.288 362 I C 0.408 176.644 176.117 0.198 0.000 0.999 362 I CA -0.591 60.813 61.300 0.175 0.000 1.163 362 I CB 1.514 39.537 38.000 0.038 0.000 1.316 362 I HN 0.497 nan 8.210 nan 0.000 0.454 363 E N 6.657 126.985 120.200 0.212 0.000 2.105 363 E HA 0.340 4.690 4.350 0.000 0.000 0.285 363 E C -0.321 176.346 176.600 0.111 0.000 1.055 363 E CA -0.354 56.149 56.400 0.171 0.000 0.843 363 E CB 1.140 30.926 29.700 0.144 0.000 1.067 363 E HN 0.465 nan 8.360 nan 0.000 0.398 364 L N 2.233 123.529 121.223 0.123 0.000 2.739 364 L HA 0.344 4.685 4.340 0.000 0.000 0.175 364 L C 0.952 177.842 176.870 0.033 0.000 1.140 364 L CA -0.464 54.448 54.840 0.118 0.000 1.033 364 L CB 0.118 42.229 42.059 0.087 0.000 1.834 364 L HN 0.364 nan 8.230 nan 0.000 0.498 365 R N -0.392 120.145 120.500 0.061 0.000 2.528 365 R HA 0.348 4.688 4.340 0.000 0.000 0.271 365 R C -1.351 174.928 176.300 -0.035 0.000 1.056 365 R CA -0.047 56.050 56.100 -0.004 0.000 1.117 365 R CB 0.804 31.132 30.300 0.047 0.000 1.085 365 R HN 0.647 nan 8.270 nan 0.000 0.530 366 D N -0.982 119.363 120.400 -0.091 0.000 10.707 366 D HA -0.142 4.498 4.640 0.000 0.000 0.303 366 D C -0.374 175.897 176.300 -0.049 0.000 3.131 366 D CA 0.850 54.766 54.000 -0.140 0.000 2.862 366 D CB -0.140 40.513 40.800 -0.245 0.000 1.202 366 D HN 0.612 nan 8.370 nan 0.000 0.940 367 T N 1.036 115.563 114.554 -0.044 0.000 3.054 367 T HA 0.567 4.917 4.350 0.000 0.000 0.255 367 T C 1.400 176.215 174.700 0.192 0.000 1.035 367 T CA 1.052 63.203 62.100 0.086 0.000 0.941 367 T CB 0.803 69.674 68.868 0.005 0.000 1.026 367 T HN 1.358 nan 8.240 nan 0.000 0.533 368 G N 1.367 110.134 108.800 -0.056 0.000 2.901 368 G HA2 -0.255 3.705 3.960 0.000 0.000 0.194 368 G HA3 -0.255 3.705 3.960 0.000 0.000 0.194 368 G C 1.213 175.933 174.900 -0.301 0.000 1.020 368 G CA 0.692 45.698 45.100 -0.156 0.000 0.787 368 G HN 0.668 nan 8.290 nan 0.000 0.477 369 T N -1.020 113.378 114.554 -0.261 0.000 2.624 369 T HA -0.203 4.147 4.350 0.000 0.000 0.268 369 T C 1.947 176.373 174.700 -0.457 0.000 1.041 369 T CA 2.295 64.183 62.100 -0.352 0.000 1.159 369 T CB -0.363 68.312 68.868 -0.321 0.000 0.863 369 T HN 0.471 nan 8.240 nan 0.000 0.434 370 Y N 1.211 121.374 120.300 -0.228 0.000 2.483 370 Y HA 0.460 5.010 4.550 0.000 0.000 0.258 370 Y C 2.228 177.979 175.900 -0.248 0.000 1.083 370 Y CA -0.227 57.773 58.100 -0.167 0.000 1.283 370 Y CB -0.050 38.327 38.460 -0.137 0.000 1.178 370 Y HN 0.618 nan 8.280 nan 0.000 0.515 371 G N 1.271 109.760 108.800 -0.518 0.000 2.622 371 G HA2 -0.401 3.559 3.960 0.000 0.000 0.307 371 G HA3 -0.401 3.559 3.960 0.000 0.000 0.307 371 G C 0.686 174.944 174.900 -1.069 0.000 1.226 371 G CA 0.826 45.044 45.100 -1.469 0.000 0.997 371 G HN 0.236 nan 8.290 nan 0.000 0.551 372 F N 0.803 120.226 119.950 -0.879 0.000 2.546 372 F HA 0.306 4.833 4.527 0.000 0.000 0.298 372 F C 2.188 177.736 175.800 -0.421 0.000 1.120 372 F CA 0.808 58.470 58.000 -0.563 0.000 1.456 372 F CB -0.119 38.460 39.000 -0.701 0.000 1.088 372 F HN 0.121 nan 8.300 nan 0.000 0.572 373 L N 0.945 122.081 121.223 -0.144 0.000 2.978 373 L HA 0.203 4.543 4.340 0.000 0.000 0.239 373 L C -0.041 176.806 176.870 -0.038 0.000 1.293 373 L CA -0.606 54.185 54.840 -0.082 0.000 1.085 373 L CB -0.140 41.963 42.059 0.074 0.000 1.432 373 L HN 0.004 nan 8.230 nan 0.000 0.512 374 L N 2.818 124.009 121.223 -0.053 0.000 2.660 374 L HA 0.098 4.438 4.340 0.000 0.000 0.272 374 L C -1.981 174.926 176.870 0.060 0.000 1.194 374 L CA -0.837 53.985 54.840 -0.030 0.000 0.945 374 L CB -0.026 42.090 42.059 0.095 0.000 1.212 374 L HN -0.052 nan 8.230 nan 0.000 0.490 375 P HA 0.038 nan 4.420 nan 0.000 0.269 375 P C 0.311 177.618 177.300 0.012 0.000 1.209 375 P CA -0.091 62.982 63.100 -0.045 0.000 0.776 375 P CB 0.550 32.119 31.700 -0.219 0.000 0.876 376 E N 2.020 122.220 120.200 -0.000 0.000 2.114 376 E HA -0.295 4.055 4.350 0.000 0.000 0.199 376 E C 1.789 178.267 176.600 -0.203 0.000 1.008 376 E CA 1.465 57.776 56.400 -0.148 0.000 0.810 376 E CB -0.274 29.342 29.700 -0.140 0.000 0.739 376 E HN 0.418 nan 8.360 nan 0.000 0.456 377 R N -0.173 120.149 120.500 -0.297 0.000 2.196 377 R HA -0.243 4.097 4.340 0.000 0.000 0.259 377 R C 1.770 177.764 176.300 -0.510 0.000 1.154 377 R CA 2.034 57.857 56.100 -0.462 0.000 0.976 377 R CB -0.701 29.167 30.300 -0.720 0.000 0.888 377 R HN 0.404 nan 8.270 nan 0.000 0.453 378 Y N 0.003 120.261 120.300 -0.069 0.000 2.466 378 Y HA 0.170 4.720 4.550 0.000 0.000 0.272 378 Y C 2.011 177.883 175.900 -0.047 0.000 1.169 378 Y CA -0.196 57.874 58.100 -0.050 0.000 1.285 378 Y CB -0.010 38.415 38.460 -0.059 0.000 1.078 378 Y HN -0.026 nan 8.280 nan 0.000 0.523 379 I N 0.484 121.055 120.570 0.003 0.000 2.208 379 I HA -0.335 3.835 4.170 0.000 0.000 0.245 379 I C 2.520 178.606 176.117 -0.052 0.000 1.097 379 I CA 1.586 62.865 61.300 -0.035 0.000 1.363 379 I CB -0.240 37.677 38.000 -0.138 0.000 1.051 379 I HN 0.185 nan 8.210 nan 0.000 0.413 380 K N 1.373 121.772 120.400 -0.001 0.000 1.973 380 K HA -0.151 4.169 4.320 0.000 0.000 0.212 380 K C -0.602 175.956 176.600 -0.070 0.000 1.047 380 K CA 1.775 58.089 56.287 0.045 0.000 0.937 380 K CB -0.926 31.650 32.500 0.126 0.000 0.721 380 K HN 0.166 nan 8.250 nan 0.000 0.440 381 P HA -0.084 nan 4.420 nan 0.000 0.226 381 P C 0.702 177.971 177.300 -0.052 0.000 1.153 381 P CA 1.289 64.381 63.100 -0.013 0.000 0.777 381 P CB 0.106 31.843 31.700 0.060 0.000 0.794 382 T N -0.654 113.870 114.554 -0.050 0.000 2.770 382 T HA -0.061 4.289 4.350 0.000 0.000 0.258 382 T C 1.986 176.598 174.700 -0.147 0.000 1.039 382 T CA 1.188 63.268 62.100 -0.034 0.000 1.143 382 T CB -1.033 67.854 68.868 0.032 0.000 0.866 382 T HN 0.125 nan 8.240 nan 0.000 0.428 383 C N 1.150 120.267 119.300 -0.304 0.000 2.422 383 C HA 0.053 4.513 4.460 0.000 0.000 0.279 383 C C 2.854 177.358 174.990 -0.810 0.000 1.305 383 C CA 0.483 59.175 59.018 -0.542 0.000 1.757 383 C CB -0.962 25.940 27.740 -1.397 0.000 1.962 383 C HN 0.480 nan 8.230 nan 0.000 0.499 384 R N 0.918 120.985 120.500 -0.721 0.000 2.115 384 R HA -0.110 4.230 4.340 0.000 0.000 0.230 384 R C 2.311 178.521 176.300 -0.150 0.000 1.111 384 R CA 1.537 57.349 56.100 -0.480 0.000 0.976 384 R CB -0.128 30.059 30.300 -0.188 0.000 0.870 384 R HN 0.777 nan 8.270 nan 0.000 0.445 385 E N -0.816 119.303 120.200 -0.135 0.000 2.276 385 E HA 0.006 4.356 4.350 0.000 0.000 0.193 385 E C 1.703 178.226 176.600 -0.128 0.000 0.983 385 E CA 0.657 56.993 56.400 -0.108 0.000 0.861 385 E CB -0.016 29.594 29.700 -0.151 0.000 0.817 385 E HN 0.249 nan 8.360 nan 0.000 0.485 386 A N 1.512 124.243 122.820 -0.149 0.000 1.908 386 A HA -0.169 4.151 4.320 0.000 0.000 0.218 386 A C 1.988 179.574 177.584 0.004 0.000 1.181 386 A CA 1.431 53.315 52.037 -0.255 0.000 0.627 386 A CB -1.045 17.560 19.000 -0.658 0.000 0.818 386 A HN 0.436 nan 8.150 nan 0.000 0.445 387 F N 0.673 120.709 119.950 0.143 0.000 2.186 387 F HA -0.019 4.508 4.527 0.000 0.000 0.299 387 F C 2.525 178.431 175.800 0.175 0.000 1.090 387 F CA 1.042 59.239 58.000 0.327 0.000 1.307 387 F CB -0.193 39.005 39.000 0.330 0.000 1.019 387 F HN 0.270 nan 8.300 nan 0.000 0.489 388 A N 0.397 123.392 122.820 0.292 0.000 1.917 388 A HA -0.198 4.123 4.320 0.000 0.000 0.219 388 A C 2.376 179.965 177.584 0.009 0.000 1.182 388 A CA 2.073 54.193 52.037 0.137 0.000 0.633 388 A CB -1.521 17.503 19.000 0.040 0.000 0.819 388 A HN 0.490 nan 8.150 nan 0.000 0.448 389 A N -0.843 121.936 122.820 -0.067 0.000 1.854 389 A HA 0.068 4.388 4.320 0.000 0.000 0.214 389 A C 2.215 179.724 177.584 -0.125 0.000 1.192 389 A CA 1.581 53.536 52.037 -0.137 0.000 0.611 389 A CB -1.011 17.865 19.000 -0.207 0.000 0.832 389 A HN 0.413 nan 8.150 nan 0.000 0.442 390 V N 0.142 119.988 119.914 -0.114 0.000 2.392 390 V HA -0.250 3.870 4.120 0.000 0.000 0.249 390 V C 2.804 178.870 176.094 -0.048 0.000 1.059 390 V CA 2.378 64.620 62.300 -0.095 0.000 1.051 390 V CB -0.812 30.959 31.823 -0.088 0.000 0.658 390 V HN 0.555 nan 8.190 nan 0.000 0.455 391 S N -0.793 114.862 115.700 -0.074 0.000 2.368 391 S HA -0.238 4.232 4.470 0.000 0.000 0.225 391 S C 2.037 176.761 174.600 0.206 0.000 1.030 391 S CA 1.802 60.054 58.200 0.087 0.000 0.999 391 S CB -0.276 63.008 63.200 0.141 0.000 0.844 391 S HN 0.504 nan 8.310 nan 0.000 0.459 392 K N 1.657 122.112 120.400 0.092 0.000 2.057 392 K HA -0.003 4.317 4.320 0.000 0.000 0.207 392 K C 1.962 178.598 176.600 0.061 0.000 1.049 392 K CA 1.222 57.555 56.287 0.077 0.000 0.931 392 K CB -0.347 32.134 32.500 -0.032 0.000 0.714 392 K HN 0.582 nan 8.250 nan 0.000 0.440 393 I N -2.339 118.208 120.570 -0.040 0.000 2.500 393 I HA -0.001 4.169 4.170 0.000 0.000 0.252 393 I C 1.883 178.005 176.117 0.008 0.000 1.142 393 I CA 1.284 62.531 61.300 -0.087 0.000 1.451 393 I CB -0.266 37.555 38.000 -0.298 0.000 1.093 393 I HN 0.050 nan 8.210 nan 0.000 0.430 394 A N 0.990 123.836 122.820 0.043 0.000 1.933 394 A HA -0.182 4.138 4.320 0.000 0.000 0.218 394 A C 1.844 179.354 177.584 -0.122 0.000 1.175 394 A CA 1.559 53.584 52.037 -0.020 0.000 0.628 394 A CB -1.303 17.733 19.000 0.060 0.000 0.814 394 A HN 0.750 nan 8.150 nan 0.000 0.444 395 W N -1.657 119.653 121.300 0.016 0.000 2.678 395 W HA 0.057 4.716 4.660 -0.000 0.000 0.256 395 W C 2.107 178.602 176.519 -0.039 0.000 1.280 395 W CA 0.962 58.303 57.345 -0.006 0.000 1.345 395 W CB -0.169 29.291 29.460 -0.000 0.000 1.118 395 W HN 0.643 nan 8.180 nan 0.000 0.629 396 H N -0.618 118.480 119.070 0.046 0.000 2.363 396 H HA -0.137 4.419 4.556 0.000 0.000 0.301 396 H C 2.048 177.243 175.328 -0.220 0.000 1.074 396 H CA 2.352 58.346 56.048 -0.089 0.000 1.354 396 H CB -0.196 29.463 29.762 -0.173 0.000 1.397 396 H HN -0.133 nan 8.280 nan 0.000 0.516 397 V N 0.679 120.453 119.914 -0.233 0.000 2.295 397 V HA -0.258 3.862 4.120 0.000 0.000 0.246 397 V C 2.547 178.542 176.094 -0.166 0.000 1.049 397 V CA 1.987 64.123 62.300 -0.275 0.000 1.024 397 V CB -0.552 31.171 31.823 -0.166 0.000 0.648 397 V HN 0.460 nan 8.190 nan 0.000 0.447 398 I N -0.139 120.336 120.570 -0.159 0.000 2.264 398 I HA -0.303 3.867 4.170 0.000 0.000 0.248 398 I C 2.740 178.827 176.117 -0.049 0.000 1.111 398 I CA 2.044 63.261 61.300 -0.139 0.000 1.382 398 I CB -0.352 37.488 38.000 -0.267 0.000 1.060 398 I HN 0.268 nan 8.210 nan 0.000 0.418 399 R N 0.670 121.148 120.500 -0.037 0.000 2.153 399 R HA -0.055 4.285 4.340 0.000 0.000 0.218 399 R C 1.671 177.919 176.300 -0.087 0.000 1.072 399 R CA 1.220 57.299 56.100 -0.034 0.000 0.990 399 R CB 0.099 30.370 30.300 -0.048 0.000 0.889 399 R HN 0.372 nan 8.270 nan 0.000 0.452 400 N N -0.570 118.042 118.700 -0.147 0.000 2.273 400 N HA 0.062 4.802 4.740 0.000 0.000 0.192 400 N C -0.036 175.480 175.510 0.011 0.000 1.132 400 N CA 0.083 53.075 53.050 -0.096 0.000 0.887 400 N CB 1.030 39.400 38.487 -0.195 0.000 1.048 400 N HN -0.069 nan 8.380 nan 0.000 0.490 401 V N 0.000 119.927 119.914 0.022 0.000 2.409 401 V HA 0.000 4.120 4.120 0.000 0.000 0.244 401 V CA 0.000 62.346 62.300 0.077 0.000 1.235 401 V CB 0.000 31.876 31.823 0.089 0.000 1.184 401 V HN 0.000 nan 8.190 nan 0.000 0.556