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 1ho5_1_B DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQ 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.026 175.900 0.210 0.000 1.272 26 Y CA 0.000 58.179 58.100 0.131 0.000 1.940 26 Y CB 0.000 38.580 38.460 0.199 0.000 1.050 27 E N 1.925 122.507 120.200 0.636 0.000 2.289 27 E HA 0.222 4.574 4.350 0.003 0.000 0.278 27 E C -0.773 176.114 176.600 0.478 0.000 1.032 27 E CA -0.774 55.874 56.400 0.414 0.000 0.854 27 E CB 1.017 30.895 29.700 0.296 0.000 1.046 27 E HN 0.659 nan 8.360 nan 0.000 0.409 28 Q N 2.991 122.965 119.800 0.290 0.000 2.274 28 Q HA -0.040 4.302 4.340 0.003 0.000 0.280 28 Q C -0.692 175.407 176.000 0.165 0.000 1.047 28 Q CA 1.108 57.064 55.803 0.255 0.000 0.907 28 Q CB 0.340 29.159 28.738 0.134 0.000 1.171 28 Q HN 0.613 nan 8.270 nan 0.000 0.381 29 D N 1.088 121.569 120.400 0.135 0.000 3.079 29 D HA -0.210 4.432 4.640 0.003 0.000 0.214 29 D C -0.596 175.714 176.300 0.016 0.000 1.145 29 D CA 1.129 55.160 54.000 0.051 0.000 0.958 29 D CB -0.714 40.108 40.800 0.036 0.000 1.117 29 D HN 0.578 nan 8.370 nan 0.000 0.416 30 K N 0.977 121.394 120.400 0.028 0.000 2.211 30 K HA 0.351 4.672 4.320 0.003 0.000 0.275 30 K C -0.586 175.935 176.600 -0.132 0.000 1.024 30 K CA -0.158 56.065 56.287 -0.106 0.000 0.887 30 K CB 0.953 33.322 32.500 -0.218 0.000 1.084 30 K HN -0.224 nan 8.250 nan 0.000 0.463 31 T N 4.433 118.904 114.554 -0.140 0.000 2.749 31 T HA 0.207 4.559 4.350 0.003 0.000 0.295 31 T C -0.980 173.682 174.700 -0.064 0.000 0.936 31 T CA -0.079 61.997 62.100 -0.040 0.000 1.060 31 T CB -0.030 68.826 68.868 -0.019 0.000 0.904 31 T HN 0.322 nan 8.240 nan 0.000 0.500 32 Y N 2.224 122.589 120.300 0.110 0.000 2.330 32 Y HA 0.379 4.930 4.550 0.002 0.000 0.336 32 Y C 0.862 176.834 175.900 0.120 0.000 1.036 32 Y CA -0.881 57.297 58.100 0.130 0.000 1.125 32 Y CB 1.055 39.626 38.460 0.186 0.000 1.194 32 Y HN 0.363 nan 8.280 nan 0.000 0.469 33 K N 4.798 125.325 120.400 0.211 0.000 2.253 33 K HA 0.496 4.818 4.320 0.003 0.000 0.277 33 K C -1.171 175.517 176.600 0.146 0.000 1.053 33 K CA -0.346 56.031 56.287 0.150 0.000 0.892 33 K CB 0.802 33.350 32.500 0.081 0.000 1.102 33 K HN 0.478 nan 8.250 nan 0.000 0.469 34 I N 2.750 123.416 120.570 0.161 0.000 2.447 34 I HA 0.195 4.367 4.170 0.003 0.000 0.287 34 I C -0.233 175.968 176.117 0.140 0.000 1.023 34 I CA -0.544 60.836 61.300 0.133 0.000 1.083 34 I CB 1.792 39.860 38.000 0.115 0.000 1.245 34 I HN 0.446 nan 8.210 nan 0.000 0.434 35 T N 5.573 120.168 114.554 0.068 0.000 2.758 35 T HA 0.502 4.854 4.350 0.003 0.000 0.285 35 T C -0.003 174.712 174.700 0.025 0.000 0.981 35 T CA -0.389 61.728 62.100 0.029 0.000 0.965 35 T CB 1.892 70.745 68.868 -0.026 0.000 0.927 35 T HN 0.233 nan 8.240 nan 0.000 0.448 36 V N 5.741 125.692 119.914 0.062 0.000 2.350 36 V HA 0.430 4.552 4.120 0.003 0.000 0.276 36 V C -0.049 176.070 176.094 0.042 0.000 1.028 36 V CA -0.734 61.602 62.300 0.060 0.000 0.860 36 V CB 1.007 32.929 31.823 0.166 0.000 0.990 36 V HN 0.722 nan 8.190 nan 0.000 0.453 37 L N 5.951 127.166 121.223 -0.014 0.000 2.322 37 L HA 0.758 5.099 4.340 0.003 0.000 0.279 37 L C -0.340 176.554 176.870 0.039 0.000 1.036 37 L CA -0.533 54.279 54.840 -0.046 0.000 0.807 37 L CB 1.614 43.579 42.059 -0.156 0.000 1.226 37 L HN 0.966 nan 8.230 nan 0.000 0.433 38 H N -0.327 118.699 119.070 -0.074 0.000 3.064 38 H HA 0.754 5.311 4.556 0.001 0.000 0.352 38 H C -1.140 174.223 175.328 0.058 0.000 1.260 38 H CA -0.799 55.247 56.048 -0.003 0.000 1.160 38 H CB 1.827 31.615 29.762 0.043 0.000 1.879 38 H HN 0.534 nan 8.280 nan 0.000 0.544 39 T N 0.452 115.107 114.554 0.168 0.000 2.812 39 T HA 0.611 4.962 4.350 0.003 0.000 0.294 39 T C -1.153 173.680 174.700 0.221 0.000 1.159 39 T CA -0.877 61.312 62.100 0.148 0.000 1.008 39 T CB 2.117 71.099 68.868 0.190 0.000 1.289 39 T HN 1.185 nan 8.240 nan 0.000 0.514 40 N N -0.981 117.832 118.700 0.187 0.000 3.127 40 N HA 0.197 4.938 4.740 0.003 0.000 0.239 40 N C -1.599 174.015 175.510 0.173 0.000 1.407 40 N CA -0.629 52.537 53.050 0.193 0.000 0.891 40 N CB 0.839 39.467 38.487 0.235 0.000 1.447 40 N HN 0.879 nan 8.380 nan 0.000 0.507 41 D N 0.179 120.674 120.400 0.158 0.000 2.697 41 D HA -0.232 4.410 4.640 0.003 0.000 0.235 41 D C 0.868 177.240 176.300 0.121 0.000 1.167 41 D CA 1.035 55.079 54.000 0.074 0.000 0.656 41 D CB -0.842 40.134 40.800 0.294 0.000 1.025 41 D HN 0.683 nan 8.370 nan 0.000 0.419 42 H N 0.826 119.868 119.070 -0.047 0.000 2.387 42 H HA -0.159 4.399 4.556 0.002 0.000 0.299 42 H C 0.786 176.224 175.328 0.182 0.000 1.099 42 H CA 2.518 58.584 56.048 0.031 0.000 1.315 42 H CB 0.059 29.763 29.762 -0.098 0.000 1.380 42 H HN 0.413 nan 8.280 nan 0.000 0.513 43 H N -0.834 118.238 119.070 0.004 0.000 2.527 43 H HA -0.160 4.397 4.556 0.002 0.000 0.321 43 H C 1.485 176.591 175.328 -0.369 0.000 1.092 43 H CA 1.180 57.163 56.048 -0.108 0.000 1.118 43 H CB -1.770 28.003 29.762 0.017 0.000 1.536 43 H HN 0.818 nan 8.280 nan 0.000 0.407 44 G N 0.114 108.717 108.800 -0.329 0.000 2.168 44 G HA2 -0.353 3.609 3.960 0.003 0.000 0.257 44 G HA3 -0.353 3.609 3.960 0.003 0.000 0.257 44 G C 0.160 174.817 174.900 -0.405 0.000 0.997 44 G CA 0.713 45.654 45.100 -0.266 0.000 0.708 44 G HN 0.752 nan 8.290 nan 0.000 0.520 45 H N 0.177 118.798 119.070 -0.748 0.000 2.768 45 H HA 0.383 4.941 4.556 0.004 0.000 0.228 45 H C 1.625 176.921 175.328 -0.053 0.000 1.812 45 H CA 0.029 55.809 56.048 -0.446 0.000 1.273 45 H CB -0.704 28.754 29.762 -0.507 0.000 1.631 45 H HN 0.526 nan 8.280 nan 0.000 0.526 46 F N -2.029 118.023 119.950 0.169 0.000 2.259 46 F HA -0.007 4.522 4.527 0.003 0.000 0.298 46 F C 0.853 176.827 175.800 0.290 0.000 1.088 46 F CA -0.274 57.900 58.000 0.290 0.000 1.358 46 F CB -0.067 39.051 39.000 0.198 0.000 1.040 46 F HN 0.261 nan 8.300 nan 0.000 0.505 47 W N 5.067 125.946 121.300 -0.701 0.000 2.448 47 W HA 0.341 5.003 4.660 0.004 0.000 0.339 47 W C 0.256 176.694 176.519 -0.135 0.000 1.124 47 W CA -1.393 55.703 57.345 -0.415 0.000 1.262 47 W CB 1.112 30.172 29.460 -0.667 0.000 1.251 47 W HN -0.009 nan 8.180 nan 0.000 0.597 48 R N 3.000 123.218 120.500 -0.469 0.000 2.784 48 R HA 0.024 4.366 4.340 0.003 0.000 0.266 48 R C 0.360 176.586 176.300 -0.124 0.000 1.044 48 R CA -0.169 55.765 56.100 -0.276 0.000 1.151 48 R CB 0.132 30.190 30.300 -0.403 0.000 1.037 48 R HN 0.465 nan 8.270 nan 0.000 0.478 49 N N 0.281 118.798 118.700 -0.304 0.000 2.405 49 N HA -0.087 4.655 4.740 0.003 0.000 0.269 49 N C 0.474 175.840 175.510 -0.240 0.000 1.249 49 N CA -0.097 52.814 53.050 -0.231 0.000 0.974 49 N CB 0.248 38.522 38.487 -0.355 0.000 1.204 49 N HN 0.842 nan 8.380 nan 0.000 0.565 50 E N -1.387 118.609 120.200 -0.339 0.000 2.267 50 E HA -0.223 4.129 4.350 0.003 0.000 0.197 50 E C -0.036 176.342 176.600 -0.369 0.000 0.998 50 E CA 1.274 57.433 56.400 -0.401 0.000 0.830 50 E CB -0.578 28.779 29.700 -0.570 0.000 0.751 50 E HN 0.635 nan 8.360 nan 0.000 0.491 51 Y N 0.321 120.569 120.300 -0.087 0.000 2.625 51 Y HA 0.416 4.968 4.550 0.003 0.000 0.285 51 Y C 1.457 177.283 175.900 -0.123 0.000 1.168 51 Y CA -0.640 57.409 58.100 -0.085 0.000 1.250 51 Y CB 0.552 38.968 38.460 -0.072 0.000 1.130 51 Y HN 0.173 nan 8.280 nan 0.000 0.526 52 G N 0.215 108.977 108.800 -0.063 0.000 2.168 52 G HA2 -0.303 3.659 3.960 0.003 0.000 0.257 52 G HA3 -0.303 3.659 3.960 0.003 0.000 0.257 52 G C 0.085 174.873 174.900 -0.187 0.000 0.997 52 G CA 0.177 45.209 45.100 -0.114 0.000 0.708 52 G HN 0.455 nan 8.290 nan 0.000 0.520 53 E N -0.316 119.693 120.200 -0.319 0.000 2.349 53 E HA 0.496 4.848 4.350 0.003 0.000 0.265 53 E C 1.179 177.363 176.600 -0.693 0.000 1.064 53 E CA -0.438 55.684 56.400 -0.464 0.000 0.886 53 E CB 0.575 29.955 29.700 -0.532 0.000 1.036 53 E HN 0.866 nan 8.360 nan 0.000 0.413 54 Y N 0.386 120.660 120.300 -0.043 0.000 2.682 54 Y HA -0.362 4.189 4.550 0.002 0.000 0.431 54 Y C 0.643 176.502 175.900 -0.068 0.000 1.103 54 Y CA 0.578 58.649 58.100 -0.048 0.000 2.395 54 Y CB -1.957 36.487 38.460 -0.027 0.000 1.128 54 Y HN 1.019 nan 8.280 nan 0.000 0.663 55 G N -1.385 107.619 108.800 0.340 0.000 2.675 55 G HA2 0.165 4.127 3.960 0.003 0.000 0.686 55 G HA3 0.165 4.127 3.960 0.003 0.000 0.686 55 G C -0.509 174.455 174.900 0.107 0.000 1.215 55 G CA -0.420 44.755 45.100 0.125 0.000 0.777 55 G HN 1.204 nan 8.290 nan 0.000 0.638 56 L N 1.589 122.887 121.223 0.124 0.000 2.291 56 L HA 0.267 4.608 4.340 0.003 0.000 0.214 56 L C 3.131 180.030 176.870 0.048 0.000 1.120 56 L CA 2.948 57.855 54.840 0.112 0.000 0.799 56 L CB -0.995 41.157 42.059 0.156 0.000 0.925 56 L HN 1.140 nan 8.230 nan 0.000 0.446 57 A N -0.858 121.954 122.820 -0.014 0.000 1.897 57 A HA -0.047 4.274 4.320 0.003 0.000 0.215 57 A C 2.469 180.029 177.584 -0.040 0.000 1.181 57 A CA 1.416 53.427 52.037 -0.043 0.000 0.620 57 A CB -0.660 18.263 19.000 -0.129 0.000 0.821 57 A HN 0.358 nan 8.150 nan 0.000 0.443 58 A N -0.883 121.906 122.820 -0.051 0.000 1.930 58 A HA -0.183 4.138 4.320 0.003 0.000 0.217 58 A C 2.173 179.751 177.584 -0.010 0.000 1.175 58 A CA 1.675 53.691 52.037 -0.035 0.000 0.627 58 A CB -0.559 18.420 19.000 -0.035 0.000 0.815 58 A HN 0.632 nan 8.150 nan 0.000 0.443 59 Q N -0.353 119.454 119.800 0.012 0.000 2.061 59 Q HA -0.283 4.059 4.340 0.003 0.000 0.204 59 Q C 2.143 178.145 176.000 0.003 0.000 0.984 59 Q CA 2.191 58.005 55.803 0.019 0.000 0.846 59 Q CB -0.136 28.635 28.738 0.054 0.000 0.902 59 Q HN 0.516 nan 8.270 nan 0.000 0.421 60 K N -0.059 120.348 120.400 0.012 0.000 2.020 60 K HA -0.146 4.176 4.320 0.003 0.000 0.212 60 K C 1.908 178.503 176.600 -0.008 0.000 1.050 60 K CA 2.467 58.758 56.287 0.007 0.000 0.929 60 K CB -0.915 31.599 32.500 0.022 0.000 0.714 60 K HN 0.182 nan 8.250 nan 0.000 0.443 61 T N 1.731 116.279 114.554 -0.010 0.000 2.635 61 T HA -0.185 4.167 4.350 0.003 0.000 0.267 61 T C 1.619 176.306 174.700 -0.021 0.000 1.040 61 T CA 1.603 63.694 62.100 -0.015 0.000 1.156 61 T CB -0.480 68.377 68.868 -0.018 0.000 0.863 61 T HN 0.242 nan 8.240 nan 0.000 0.430 62 L N 1.344 122.553 121.223 -0.023 0.000 1.990 62 L HA -0.082 4.260 4.340 0.003 0.000 0.213 62 L C 2.499 179.342 176.870 -0.044 0.000 1.072 62 L CA 1.679 56.501 54.840 -0.031 0.000 0.755 62 L CB -1.053 40.989 42.059 -0.028 0.000 0.889 62 L HN 0.120 nan 8.230 nan 0.000 0.432 63 V N 0.079 119.963 119.914 -0.051 0.000 2.343 63 V HA -0.296 3.826 4.120 0.003 0.000 0.247 63 V C 2.384 178.443 176.094 -0.057 0.000 1.051 63 V CA 1.931 64.187 62.300 -0.073 0.000 1.036 63 V CB -0.834 30.930 31.823 -0.098 0.000 0.654 63 V HN 0.475 nan 8.190 nan 0.000 0.451 64 D N 0.698 121.076 120.400 -0.038 0.000 2.103 64 D HA -0.155 4.487 4.640 0.003 0.000 0.190 64 D C 2.224 178.508 176.300 -0.026 0.000 0.997 64 D CA 1.875 55.860 54.000 -0.025 0.000 0.833 64 D CB -0.803 39.989 40.800 -0.013 0.000 0.961 64 D HN 0.457 nan 8.370 nan 0.000 0.447 65 G N 0.746 109.530 108.800 -0.026 0.000 2.469 65 G HA2 -0.246 3.716 3.960 0.003 0.000 0.219 65 G HA3 -0.246 3.716 3.960 0.003 0.000 0.219 65 G C 1.854 176.735 174.900 -0.032 0.000 1.150 65 G CA 0.552 45.637 45.100 -0.026 0.000 0.763 65 G HN 0.287 nan 8.290 nan 0.000 0.561 66 I N -0.067 120.478 120.570 -0.043 0.000 2.252 66 I HA -0.119 4.053 4.170 0.003 0.000 0.245 66 I C 3.058 179.149 176.117 -0.044 0.000 1.102 66 I CA 0.795 62.065 61.300 -0.051 0.000 1.385 66 I CB -0.179 37.779 38.000 -0.069 0.000 1.064 66 I HN 0.091 nan 8.210 nan 0.000 0.414 67 R N 0.713 121.187 120.500 -0.043 0.000 2.083 67 R HA -0.236 4.105 4.340 0.003 0.000 0.237 67 R C 2.352 178.640 176.300 -0.021 0.000 1.137 67 R CA 1.623 57.703 56.100 -0.033 0.000 0.951 67 R CB -0.406 29.875 30.300 -0.031 0.000 0.851 67 R HN 0.292 nan 8.270 nan 0.000 0.434 68 K N 1.048 121.437 120.400 -0.018 0.000 2.032 68 K HA -0.234 4.088 4.320 0.003 0.000 0.209 68 K C 2.162 178.755 176.600 -0.013 0.000 1.048 68 K CA 1.745 58.025 56.287 -0.012 0.000 0.927 68 K CB -0.082 32.411 32.500 -0.011 0.000 0.712 68 K HN 0.154 nan 8.250 nan 0.000 0.441 69 E N 0.313 120.502 120.200 -0.019 0.000 2.085 69 E HA -0.175 4.177 4.350 0.003 0.000 0.194 69 E C 1.895 178.485 176.600 -0.017 0.000 0.994 69 E CA 1.534 57.922 56.400 -0.020 0.000 0.801 69 E CB 0.079 29.763 29.700 -0.027 0.000 0.743 69 E HN 0.189 nan 8.360 nan 0.000 0.453 70 V N 1.309 121.211 119.914 -0.019 0.000 2.358 70 V HA -0.205 3.917 4.120 0.003 0.000 0.246 70 V C 2.579 178.672 176.094 -0.001 0.000 1.047 70 V CA 1.684 63.977 62.300 -0.012 0.000 1.035 70 V CB -0.781 31.033 31.823 -0.016 0.000 0.658 70 V HN 0.403 nan 8.190 nan 0.000 0.452 71 A N -0.033 122.786 122.820 -0.001 0.000 1.972 71 A HA -0.101 4.221 4.320 0.003 0.000 0.219 71 A C 2.382 179.969 177.584 0.005 0.000 1.169 71 A CA 1.984 54.024 52.037 0.006 0.000 0.635 71 A CB -0.617 18.386 19.000 0.006 0.000 0.810 71 A HN 0.563 nan 8.150 nan 0.000 0.446 72 A N 0.786 123.606 122.820 -0.000 0.000 1.898 72 A HA -0.126 4.196 4.320 0.003 0.000 0.216 72 A C 1.763 179.347 177.584 -0.001 0.000 1.181 72 A CA 1.495 53.532 52.037 -0.001 0.000 0.620 72 A CB -0.550 18.448 19.000 -0.005 0.000 0.819 72 A HN 0.698 nan 8.150 nan 0.000 0.442 73 E N -1.204 118.995 120.200 -0.002 0.000 2.511 73 E HA 0.333 4.685 4.350 0.003 0.000 0.196 73 E C 1.041 177.643 176.600 0.003 0.000 1.066 73 E CA 0.424 56.823 56.400 -0.002 0.000 0.871 73 E CB -0.302 29.396 29.700 -0.003 0.000 0.863 73 E HN 0.763 nan 8.360 nan 0.000 0.520 74 G N 0.406 109.210 108.800 0.007 0.000 2.175 74 G HA2 -0.245 3.717 3.960 0.003 0.000 0.244 74 G HA3 -0.245 3.717 3.960 0.003 0.000 0.244 74 G C 0.531 175.446 174.900 0.026 0.000 0.982 74 G CA -0.277 44.830 45.100 0.012 0.000 0.641 74 G HN 0.623 nan 8.290 nan 0.000 0.527 75 G N -0.580 108.239 108.800 0.030 0.000 2.510 75 G HA2 0.664 4.626 3.960 0.003 0.000 0.280 75 G HA3 0.664 4.626 3.960 0.003 0.000 0.280 75 G C 0.009 174.938 174.900 0.049 0.000 1.386 75 G CA 0.587 45.717 45.100 0.050 0.000 1.047 75 G HN 0.976 nan 8.290 nan 0.000 0.527 76 S N -2.223 113.508 115.700 0.052 0.000 2.599 76 S HA 0.650 5.122 4.470 0.003 0.000 0.287 76 S C -0.955 173.652 174.600 0.011 0.000 1.105 76 S CA -0.451 57.771 58.200 0.036 0.000 0.899 76 S CB 2.150 65.378 63.200 0.047 0.000 1.100 76 S HN 0.473 nan 8.310 nan 0.000 0.482 77 V N 2.212 122.118 119.914 -0.014 0.000 2.735 77 V HA 0.667 4.789 4.120 0.003 0.000 0.310 77 V C -1.290 174.751 176.094 -0.088 0.000 1.061 77 V CA -0.633 61.639 62.300 -0.046 0.000 0.913 77 V CB 1.775 33.564 31.823 -0.056 0.000 1.005 77 V HN 0.695 nan 8.190 nan 0.000 0.428 78 L N 4.762 125.913 121.223 -0.120 0.000 2.439 78 L HA 0.686 5.028 4.340 0.003 0.000 0.270 78 L C -1.254 175.497 176.870 -0.199 0.000 0.972 78 L CA -0.309 54.407 54.840 -0.207 0.000 0.836 78 L CB 1.747 43.663 42.059 -0.237 0.000 1.255 78 L HN 0.637 nan 8.230 nan 0.000 0.404 79 L N 5.983 127.049 121.223 -0.262 0.000 2.319 79 L HA 0.719 5.060 4.340 0.003 0.000 0.281 79 L C -1.620 175.088 176.870 -0.270 0.000 1.005 79 L CA -0.055 54.589 54.840 -0.328 0.000 0.828 79 L CB 1.138 42.874 42.059 -0.539 0.000 1.227 79 L HN 0.530 nan 8.230 nan 0.000 0.415 80 L N 3.457 124.617 121.223 -0.105 0.000 2.341 80 L HA 0.733 5.075 4.340 0.003 0.000 0.267 80 L C -0.105 176.907 176.870 0.236 0.000 1.009 80 L CA -0.691 54.188 54.840 0.065 0.000 0.819 80 L CB 2.066 44.152 42.059 0.045 0.000 1.323 80 L HN 0.656 nan 8.230 nan 0.000 0.425 81 S N -0.370 115.489 115.700 0.264 0.000 2.536 81 S HA 0.613 5.084 4.470 0.003 0.000 0.298 81 S C 0.472 175.181 174.600 0.182 0.000 1.083 81 S CA -0.177 58.165 58.200 0.237 0.000 0.995 81 S CB 1.786 65.016 63.200 0.050 0.000 1.058 81 S HN 0.791 nan 8.310 nan 0.000 0.488 82 G N 1.419 110.336 108.800 0.196 0.000 3.284 82 G HA2 0.511 4.473 3.960 0.003 0.000 0.236 82 G HA3 0.511 4.473 3.960 0.003 0.000 0.236 82 G C 0.892 175.951 174.900 0.265 0.000 1.158 82 G CA 0.185 45.425 45.100 0.234 0.000 0.774 82 G HN 1.570 nan 8.290 nan 0.000 0.545 83 G N 0.197 109.067 108.800 0.118 0.000 2.725 83 G HA2 0.045 4.007 3.960 0.003 0.000 0.220 83 G HA3 0.045 4.007 3.960 0.003 0.000 0.220 83 G C -0.150 174.659 174.900 -0.152 0.000 1.357 83 G CA -0.058 45.018 45.100 -0.039 0.000 0.866 83 G HN 0.728 nan 8.290 nan 0.000 0.548 84 D N -1.361 118.858 120.400 -0.302 0.000 2.737 84 D HA -0.132 4.510 4.640 0.003 0.000 0.243 84 D C 1.531 177.632 176.300 -0.331 0.000 1.109 84 D CA 0.983 54.828 54.000 -0.258 0.000 0.702 84 D CB -0.841 39.871 40.800 -0.147 0.000 1.068 84 D HN 0.587 nan 8.370 nan 0.000 0.432 85 I N -0.695 119.786 120.570 -0.148 0.000 2.406 85 I HA -0.058 4.114 4.170 0.003 0.000 0.249 85 I C 1.390 177.473 176.117 -0.056 0.000 1.122 85 I CA 0.741 61.955 61.300 -0.144 0.000 1.431 85 I CB -0.488 37.252 38.000 -0.434 0.000 1.087 85 I HN 0.190 nan 8.210 nan 0.000 0.424 86 N N 2.103 120.839 118.700 0.059 0.000 2.508 86 N HA 0.072 4.814 4.740 0.003 0.000 0.264 86 N C -0.342 175.277 175.510 0.183 0.000 1.216 86 N CA 0.688 53.827 53.050 0.149 0.000 0.943 86 N CB 0.657 39.280 38.487 0.227 0.000 1.113 86 N HN 0.172 nan 8.380 nan 0.000 0.447 87 T N -0.132 114.475 114.554 0.088 0.000 0.609 87 T HA -0.012 4.340 4.350 0.003 0.000 0.766 87 T C 0.808 175.435 174.700 -0.121 0.000 0.991 87 T CA 0.657 62.739 62.100 -0.031 0.000 4.041 87 T CB -1.210 67.637 68.868 -0.036 0.000 2.283 87 T HN 0.966 nan 8.240 nan 0.000 0.395 88 G N 0.876 109.521 108.800 -0.259 0.000 3.465 88 G HA2 0.283 4.245 3.960 0.003 0.000 0.219 88 G HA3 0.283 4.245 3.960 0.003 0.000 0.219 88 G C -0.331 174.280 174.900 -0.482 0.000 0.984 88 G CA 0.113 44.989 45.100 -0.374 0.000 0.864 88 G HN 1.377 nan 8.290 nan 0.000 0.485 89 V N 1.839 121.494 119.914 -0.432 0.000 2.525 89 V HA 0.403 4.525 4.120 0.003 0.000 0.299 89 V C -1.443 174.517 176.094 -0.223 0.000 1.034 89 V CA -1.166 60.887 62.300 -0.412 0.000 0.863 89 V CB 2.371 33.871 31.823 -0.539 0.000 0.999 89 V HN -0.001 nan 8.190 nan 0.000 0.423 90 P HA -0.167 nan 4.420 nan 0.000 0.216 90 P C 1.218 178.473 177.300 -0.075 0.000 1.157 90 P CA 1.321 64.326 63.100 -0.160 0.000 0.880 90 P CB 0.388 31.965 31.700 -0.205 0.000 0.791 91 E N -1.149 119.032 120.200 -0.031 0.000 2.333 91 E HA -0.123 4.229 4.350 0.003 0.000 0.198 91 E C 2.064 178.772 176.600 0.181 0.000 1.007 91 E CA 1.191 57.646 56.400 0.091 0.000 0.845 91 E CB -0.748 29.049 29.700 0.161 0.000 0.766 91 E HN 0.181 nan 8.360 nan 0.000 0.507 92 S N -0.247 115.567 115.700 0.189 0.000 2.427 92 S HA -0.074 4.398 4.470 0.003 0.000 0.224 92 S C 1.300 175.903 174.600 0.006 0.000 1.047 92 S CA 0.492 58.762 58.200 0.118 0.000 0.953 92 S CB 0.005 63.313 63.200 0.181 0.000 0.824 92 S HN 0.107 nan 8.310 nan 0.000 0.502 93 D N 2.198 122.586 120.400 -0.021 0.000 2.078 93 D HA -0.067 4.575 4.640 0.003 0.000 0.193 93 D C 1.845 178.148 176.300 0.006 0.000 0.990 93 D CA 1.151 55.137 54.000 -0.024 0.000 0.827 93 D CB -0.697 40.055 40.800 -0.081 0.000 0.975 93 D HN 0.390 nan 8.370 nan 0.000 0.451 94 L N 0.157 121.378 121.223 -0.004 0.000 2.551 94 L HA -0.153 4.189 4.340 0.003 0.000 0.230 94 L C 1.364 178.260 176.870 0.044 0.000 1.163 94 L CA 1.001 55.855 54.840 0.023 0.000 0.826 94 L CB -0.377 41.691 42.059 0.016 0.000 0.943 94 L HN 0.008 nan 8.230 nan 0.000 0.452 95 Q N -1.148 118.670 119.800 0.030 0.000 2.110 95 Q HA 0.096 4.438 4.340 0.003 0.000 0.232 95 Q C -0.559 175.479 176.000 0.065 0.000 0.810 95 Q CA -0.235 55.589 55.803 0.034 0.000 1.083 95 Q CB 0.800 29.524 28.738 -0.023 0.000 1.193 95 Q HN 0.183 nan 8.270 nan 0.000 0.471 96 D N 0.562 121.023 120.400 0.102 0.000 2.911 96 D HA -0.261 4.381 4.640 0.003 0.000 0.227 96 D C 0.332 176.772 176.300 0.232 0.000 1.164 96 D CA 1.121 55.227 54.000 0.177 0.000 0.782 96 D CB -1.257 39.694 40.800 0.252 0.000 1.094 96 D HN 0.553 nan 8.370 nan 0.000 0.425 97 A N -1.095 121.776 122.820 0.085 0.000 2.887 97 A HA -0.392 3.930 4.320 0.003 0.000 0.257 97 A C 1.503 179.061 177.584 -0.042 0.000 1.372 97 A CA 2.114 54.183 52.037 0.054 0.000 0.879 97 A CB -2.045 17.102 19.000 0.244 0.000 1.082 97 A HN 0.589 nan 8.150 nan 0.000 0.703 98 E N 0.167 120.139 120.200 -0.379 0.000 2.058 98 E HA -0.179 4.173 4.350 0.003 0.000 0.194 98 E C -0.233 175.729 176.600 -1.064 0.000 0.997 98 E CA 1.386 57.147 56.400 -1.064 0.000 0.801 98 E CB -0.385 28.385 29.700 -1.550 0.000 0.746 98 E HN 0.656 nan 8.360 nan 0.000 0.450 99 P HA -0.130 nan 4.420 nan 0.000 0.218 99 P C 0.246 177.171 177.300 -0.626 0.000 1.149 99 P CA 1.542 63.842 63.100 -1.332 0.000 0.817 99 P CB -0.024 30.631 31.700 -1.741 0.000 0.785 100 D N -0.395 119.733 120.400 -0.452 0.000 2.097 100 D HA -0.106 4.536 4.640 0.003 0.000 0.197 100 D C 1.729 177.888 176.300 -0.234 0.000 0.984 100 D CA 1.112 54.999 54.000 -0.189 0.000 0.826 100 D CB -0.905 39.843 40.800 -0.086 0.000 0.973 100 D HN 0.122 nan 8.370 nan 0.000 0.460 101 F N 0.824 120.699 119.950 -0.125 0.000 2.234 101 F HA 0.051 4.580 4.527 0.004 0.000 0.299 101 F C 2.328 178.120 175.800 -0.013 0.000 1.087 101 F CA 0.749 58.745 58.000 -0.006 0.000 1.340 101 F CB -0.077 38.950 39.000 0.045 0.000 1.031 101 F HN -0.170 nan 8.300 nan 0.000 0.500 102 R N -0.163 120.327 120.500 -0.016 0.000 2.073 102 R HA -0.050 4.292 4.340 0.003 0.000 0.229 102 R C 2.601 178.927 176.300 0.043 0.000 1.120 102 R CA 1.109 57.190 56.100 -0.033 0.000 0.967 102 R CB -1.165 29.020 30.300 -0.192 0.000 0.862 102 R HN 0.378 nan 8.270 nan 0.000 0.436 103 G N 1.148 109.943 108.800 -0.008 0.000 2.440 103 G HA2 -0.266 3.696 3.960 0.003 0.000 0.218 103 G HA3 -0.266 3.696 3.960 0.003 0.000 0.218 103 G C 1.466 176.409 174.900 0.072 0.000 1.154 103 G CA 0.617 45.744 45.100 0.046 0.000 0.767 103 G HN 0.161 nan 8.290 nan 0.000 0.552 104 M N 0.674 120.299 119.600 0.042 0.000 2.213 104 M HA -0.053 4.429 4.480 0.003 0.000 0.263 104 M C 2.253 178.730 176.300 0.294 0.000 1.062 104 M CA 0.877 56.209 55.300 0.054 0.000 1.105 104 M CB -0.297 32.200 32.600 -0.171 0.000 1.385 104 M HN 0.144 nan 8.290 nan 0.000 0.417 105 N N 0.694 119.619 118.700 0.374 0.000 2.142 105 N HA -0.109 4.633 4.740 0.003 0.000 0.186 105 N C 1.623 177.266 175.510 0.223 0.000 1.023 105 N CA 1.079 54.349 53.050 0.367 0.000 0.852 105 N CB -0.397 38.258 38.487 0.278 0.000 0.998 105 N HN 0.235 nan 8.380 nan 0.000 0.424 106 L N 0.927 122.250 121.223 0.166 0.000 2.141 106 L HA 0.009 4.351 4.340 0.003 0.000 0.209 106 L C 1.835 178.765 176.870 0.099 0.000 1.094 106 L CA 1.040 55.951 54.840 0.118 0.000 0.763 106 L CB -0.307 41.812 42.059 0.100 0.000 0.908 106 L HN -0.122 nan 8.230 nan 0.000 0.437 107 V N 0.248 120.234 119.914 0.119 0.000 2.667 107 V HA 0.113 4.235 4.120 0.003 0.000 0.252 107 V C 1.647 177.752 176.094 0.019 0.000 1.065 107 V CA 1.079 63.423 62.300 0.074 0.000 1.083 107 V CB -1.159 30.744 31.823 0.133 0.000 0.692 107 V HN 0.720 nan 8.190 nan 0.000 0.468 108 G N -1.244 107.607 108.800 0.085 0.000 2.207 108 G HA2 -0.254 3.708 3.960 0.003 0.000 0.216 108 G HA3 -0.254 3.708 3.960 0.003 0.000 0.216 108 G C -0.230 174.639 174.900 -0.051 0.000 1.053 108 G CA -0.410 44.716 45.100 0.042 0.000 0.764 108 G HN 0.374 nan 8.290 nan 0.000 0.495 109 Y N 0.718 120.883 120.300 -0.225 0.000 2.702 109 Y HA 0.187 4.739 4.550 0.003 0.000 0.336 109 Y C 1.637 177.407 175.900 -0.216 0.000 1.235 109 Y CA 0.770 58.620 58.100 -0.415 0.000 1.492 109 Y CB 0.614 38.459 38.460 -1.025 0.000 1.308 109 Y HN 0.218 nan 8.280 nan 0.000 0.589 110 D N 1.296 121.671 120.400 -0.042 0.000 2.355 110 D HA 0.300 4.942 4.640 0.003 0.000 0.206 110 D C 0.087 176.585 176.300 0.331 0.000 1.010 110 D CA 0.792 54.862 54.000 0.116 0.000 0.875 110 D CB 0.523 41.179 40.800 -0.240 0.000 0.966 110 D HN 0.503 nan 8.370 nan 0.000 0.512 111 A N 0.304 123.259 122.820 0.225 0.000 2.569 111 A HA 0.578 4.900 4.320 0.003 0.000 0.292 111 A C -1.696 176.050 177.584 0.270 0.000 1.032 111 A CA -0.670 51.584 52.037 0.363 0.000 0.669 111 A CB 1.458 20.704 19.000 0.412 0.000 1.290 111 A HN 0.036 nan 8.150 nan 0.000 0.422 112 M N 1.458 121.249 119.600 0.320 0.000 2.378 112 M HA 0.728 5.210 4.480 0.003 0.000 0.289 112 M C -0.663 175.750 176.300 0.187 0.000 1.136 112 M CA -0.514 54.931 55.300 0.241 0.000 0.917 112 M CB 1.920 34.699 32.600 0.299 0.000 1.669 112 M HN 1.718 nan 8.290 nan 0.000 0.461 113 A N 4.954 127.868 122.820 0.155 0.000 2.363 113 A HA 0.558 4.880 4.320 0.003 0.000 0.270 113 A C -0.165 177.469 177.584 0.082 0.000 1.121 113 A CA -0.654 51.462 52.037 0.131 0.000 0.800 113 A CB 0.157 19.256 19.000 0.165 0.000 1.052 113 A HN 0.758 nan 8.150 nan 0.000 0.493 114 I N 2.408 122.990 120.570 0.021 0.000 2.618 114 I HA 0.183 4.355 4.170 0.003 0.000 0.284 114 I C 1.109 177.240 176.117 0.024 0.000 1.146 114 I CA 0.616 61.890 61.300 -0.043 0.000 1.425 114 I CB -0.013 37.882 38.000 -0.176 0.000 1.383 114 I HN 0.662 nan 8.210 nan 0.000 0.562 115 G N 4.988 113.728 108.800 -0.099 0.000 2.410 115 G HA2 0.228 4.189 3.960 0.003 0.000 0.330 115 G HA3 0.228 4.189 3.960 0.003 0.000 0.330 115 G C 1.002 175.928 174.900 0.044 0.000 1.142 115 G CA -0.638 44.217 45.100 -0.408 0.000 0.902 115 G HN 0.714 nan 8.290 nan 0.000 0.491 116 N N 0.373 119.143 118.700 0.116 0.000 2.272 116 N HA -0.204 4.538 4.740 0.003 0.000 0.185 116 N C 0.985 176.609 175.510 0.190 0.000 1.014 116 N CA 1.293 54.424 53.050 0.137 0.000 0.870 116 N CB -0.331 38.112 38.487 -0.073 0.000 0.975 116 N HN 0.627 nan 8.380 nan 0.000 0.433 117 H N -0.132 119.122 119.070 0.306 0.000 2.556 117 H HA 0.118 4.676 4.556 0.003 0.000 0.268 117 H C 0.787 176.267 175.328 0.254 0.000 0.996 117 H CA 0.377 56.628 56.048 0.338 0.000 1.157 117 H CB 0.416 30.399 29.762 0.367 0.000 1.355 117 H HN 0.304 nan 8.280 nan 0.000 0.597 118 E N -0.034 120.314 120.200 0.245 0.000 2.347 118 E HA -0.042 4.310 4.350 0.003 0.000 0.196 118 E C 0.493 177.027 176.600 -0.110 0.000 1.008 118 E CA 0.391 56.812 56.400 0.035 0.000 0.852 118 E CB -0.105 29.515 29.700 -0.134 0.000 0.783 118 E HN 0.326 nan 8.360 nan 0.000 0.505 119 F N -0.070 120.003 119.950 0.206 0.000 2.639 119 F HA 0.163 4.691 4.527 0.003 0.000 0.300 119 F C 0.825 176.733 175.800 0.181 0.000 1.109 119 F CA -0.181 57.943 58.000 0.206 0.000 1.335 119 F CB 0.508 39.819 39.000 0.518 0.000 1.014 119 F HN -0.129 nan 8.300 nan 0.000 0.537 120 D N -0.403 120.208 120.400 0.352 0.000 2.363 120 D HA -0.003 4.639 4.640 0.003 0.000 0.220 120 D C 0.484 176.949 176.300 0.275 0.000 0.994 120 D CA 0.645 54.903 54.000 0.431 0.000 0.890 120 D CB 0.065 41.176 40.800 0.518 0.000 0.906 120 D HN 0.213 nan 8.370 nan 0.000 0.530 121 N N 0.045 118.735 118.700 -0.017 0.000 2.453 121 N HA 0.348 5.089 4.740 0.003 0.000 0.290 121 N C -2.681 172.468 175.510 -0.602 0.000 1.250 121 N CA -1.475 51.494 53.050 -0.135 0.000 0.815 121 N CB 1.611 40.077 38.487 -0.036 0.000 1.381 121 N HN -0.254 nan 8.380 nan 0.000 0.510 122 P HA 0.023 nan 4.420 nan 0.000 0.267 122 P C 1.156 178.267 177.300 -0.315 0.000 1.200 122 P CA -0.309 62.562 63.100 -0.382 0.000 0.772 122 P CB 0.685 32.361 31.700 -0.041 0.000 0.855 123 L N 3.625 124.705 121.223 -0.238 0.000 2.129 123 L HA -0.224 4.118 4.340 0.003 0.000 0.212 123 L C 2.164 178.939 176.870 -0.157 0.000 1.087 123 L CA 2.748 57.497 54.840 -0.151 0.000 0.757 123 L CB -1.655 40.372 42.059 -0.053 0.000 0.896 123 L HN 0.520 nan 8.230 nan 0.000 0.434 124 T N -4.701 109.772 114.554 -0.136 0.000 2.759 124 T HA -0.181 4.171 4.350 0.003 0.000 0.269 124 T C 1.877 176.459 174.700 -0.197 0.000 1.042 124 T CA 1.557 63.568 62.100 -0.148 0.000 1.140 124 T CB -1.095 67.707 68.868 -0.110 0.000 0.864 124 T HN 0.150 nan 8.240 nan 0.000 0.455 125 V N 1.665 121.467 119.914 -0.186 0.000 2.295 125 V HA -0.091 4.031 4.120 0.003 0.000 0.246 125 V C 2.638 178.568 176.094 -0.274 0.000 1.049 125 V CA 1.750 63.925 62.300 -0.208 0.000 1.024 125 V CB -0.967 30.778 31.823 -0.129 0.000 0.648 125 V HN 0.427 nan 8.190 nan 0.000 0.447 126 L N 0.269 121.340 121.223 -0.253 0.000 2.042 126 L HA -0.154 4.188 4.340 0.003 0.000 0.210 126 L C 2.586 179.285 176.870 -0.286 0.000 1.076 126 L CA 1.954 56.629 54.840 -0.276 0.000 0.749 126 L CB -0.897 40.991 42.059 -0.285 0.000 0.893 126 L HN 0.178 nan 8.230 nan 0.000 0.432 127 R N -0.396 119.954 120.500 -0.250 0.000 2.081 127 R HA -0.178 4.164 4.340 0.003 0.000 0.235 127 R C 2.237 178.313 176.300 -0.373 0.000 1.131 127 R CA 1.533 57.480 56.100 -0.255 0.000 0.960 127 R CB -1.020 29.148 30.300 -0.219 0.000 0.856 127 R HN 0.546 nan 8.270 nan 0.000 0.436 128 Q N 1.112 120.629 119.800 -0.472 0.000 2.224 128 Q HA -0.107 4.235 4.340 0.003 0.000 0.203 128 Q C 1.796 177.181 176.000 -1.024 0.000 0.970 128 Q CA 1.503 56.860 55.803 -0.742 0.000 0.865 128 Q CB 0.029 28.295 28.738 -0.787 0.000 0.922 128 Q HN 0.426 nan 8.270 nan 0.000 0.445 129 Q N -0.236 119.098 119.800 -0.777 0.000 2.123 129 Q HA -0.131 4.211 4.340 0.003 0.000 0.199 129 Q C 1.906 177.475 176.000 -0.718 0.000 0.966 129 Q CA 1.352 56.670 55.803 -0.809 0.000 0.845 129 Q CB 0.018 28.181 28.738 -0.958 0.000 0.907 129 Q HN 0.540 nan 8.270 nan 0.000 0.439 130 E N 0.939 120.820 120.200 -0.531 0.000 2.110 130 E HA -0.180 4.172 4.350 0.003 0.000 0.193 130 E C 1.859 178.261 176.600 -0.330 0.000 0.988 130 E CA 0.845 57.016 56.400 -0.380 0.000 0.804 130 E CB 0.070 29.631 29.700 -0.232 0.000 0.745 130 E HN 0.232 nan 8.360 nan 0.000 0.458 131 K N -0.021 120.159 120.400 -0.367 0.000 2.026 131 K HA -0.144 4.177 4.320 0.003 0.000 0.208 131 K C 1.957 178.467 176.600 -0.149 0.000 1.048 131 K CA 1.202 57.318 56.287 -0.285 0.000 0.929 131 K CB -0.063 32.208 32.500 -0.382 0.000 0.713 131 K HN 0.217 nan 8.250 nan 0.000 0.439 132 W N 0.828 121.989 121.300 -0.230 0.000 2.388 132 W HA 0.063 4.725 4.660 0.003 0.000 0.294 132 W C 0.906 177.302 176.519 -0.204 0.000 1.212 132 W CA 0.070 57.306 57.345 -0.181 0.000 1.271 132 W CB -0.781 28.572 29.460 -0.178 0.000 1.126 132 W HN -0.057 nan 8.180 nan 0.000 0.535 133 A N 1.414 124.143 122.820 -0.153 0.000 2.444 133 A HA 0.123 4.444 4.320 0.003 0.000 0.273 133 A C 1.089 178.446 177.584 -0.378 0.000 1.136 133 A CA -0.039 51.694 52.037 -0.508 0.000 0.799 133 A CB 0.066 18.439 19.000 -1.046 0.000 1.081 133 A HN 0.255 nan 8.150 nan 0.000 0.509 134 K N 1.595 121.906 120.400 -0.147 0.000 2.487 134 K HA 0.123 4.444 4.320 0.003 0.000 0.192 134 K C -0.618 176.073 176.600 0.152 0.000 1.027 134 K CA 0.327 56.642 56.287 0.046 0.000 1.054 134 K CB -0.188 32.406 32.500 0.157 0.000 0.824 134 K HN 0.774 nan 8.250 nan 0.000 0.510 135 F N 0.020 120.055 119.950 0.143 0.000 2.522 135 F HA 0.533 5.063 4.527 0.004 0.000 0.324 135 F C -2.739 173.146 175.800 0.142 0.000 1.077 135 F CA -3.817 54.286 58.000 0.173 0.000 0.944 135 F CB 0.488 39.623 39.000 0.226 0.000 1.175 135 F HN -0.235 nan 8.300 nan 0.000 0.468 136 P HA 0.145 nan 4.420 nan 0.000 0.276 136 P C -0.928 176.507 177.300 0.226 0.000 1.235 136 P CA -0.200 63.007 63.100 0.178 0.000 0.772 136 P CB 1.572 33.371 31.700 0.166 0.000 0.871 137 L N 4.555 125.833 121.223 0.091 0.000 2.334 137 L HA 0.250 4.591 4.340 0.003 0.000 0.286 137 L C 0.564 177.432 176.870 -0.004 0.000 1.108 137 L CA 0.238 55.108 54.840 0.049 0.000 0.875 137 L CB -0.487 41.526 42.059 -0.078 0.000 1.246 137 L HN 0.259 nan 8.230 nan 0.000 0.439 138 L N 1.806 123.064 121.223 0.059 0.000 2.375 138 L HA 0.699 5.041 4.340 0.003 0.000 0.271 138 L C 0.519 177.387 176.870 -0.004 0.000 1.107 138 L CA -0.293 54.583 54.840 0.060 0.000 0.806 138 L CB 1.422 43.570 42.059 0.148 0.000 1.146 138 L HN 0.566 nan 8.230 nan 0.000 0.447 139 S N 0.091 115.810 115.700 0.033 0.000 2.546 139 S HA 0.441 4.913 4.470 0.003 0.000 0.303 139 S C 0.077 174.736 174.600 0.098 0.000 1.067 139 S CA 0.017 58.251 58.200 0.056 0.000 0.944 139 S CB 1.256 64.443 63.200 -0.022 0.000 1.155 139 S HN 0.722 nan 8.310 nan 0.000 0.449 140 A N 3.540 126.423 122.820 0.105 0.000 2.030 140 A HA 0.123 4.444 4.320 0.003 0.000 0.215 140 A C 1.601 179.251 177.584 0.110 0.000 1.164 140 A CA 0.886 52.973 52.037 0.084 0.000 0.697 140 A CB -0.274 18.814 19.000 0.145 0.000 0.827 140 A HN 0.877 nan 8.150 nan 0.000 0.457 141 N N 0.171 118.969 118.700 0.165 0.000 2.322 141 N HA 0.092 4.834 4.740 0.003 0.000 0.194 141 N C -0.066 175.582 175.510 0.230 0.000 1.126 141 N CA 0.008 53.216 53.050 0.263 0.000 0.845 141 N CB 0.052 38.663 38.487 0.207 0.000 0.976 141 N HN 0.422 nan 8.380 nan 0.000 0.475 142 I N 1.698 122.294 120.570 0.045 0.000 2.304 142 I HA 0.223 4.395 4.170 0.003 0.000 0.291 142 I C -0.766 175.247 176.117 -0.174 0.000 1.018 142 I CA -0.600 60.625 61.300 -0.125 0.000 1.260 142 I CB 0.272 38.251 38.000 -0.035 0.000 1.390 142 I HN -0.122 nan 8.210 nan 0.000 0.475 143 Y N 3.675 123.877 120.300 -0.162 0.000 2.524 143 Y HA 0.332 4.884 4.550 0.003 0.000 0.344 143 Y C 0.184 176.026 175.900 -0.096 0.000 1.012 143 Y CA -0.922 57.117 58.100 -0.101 0.000 1.068 143 Y CB 1.553 39.973 38.460 -0.066 0.000 1.249 143 Y HN 0.443 nan 8.280 nan 0.000 0.468 144 Q N 2.796 122.630 119.800 0.058 0.000 2.377 144 Q HA 0.210 4.552 4.340 0.003 0.000 0.249 144 Q C 0.449 176.488 176.000 0.064 0.000 1.005 144 Q CA -0.240 55.578 55.803 0.026 0.000 0.912 144 Q CB 0.687 29.408 28.738 -0.028 0.000 1.223 144 Q HN 0.729 nan 8.270 nan 0.000 0.459 145 K N 1.123 121.559 120.400 0.061 0.000 2.077 145 K HA -0.296 4.026 4.320 0.003 0.000 0.213 145 K C 1.976 178.595 176.600 0.030 0.000 1.051 145 K CA 2.216 58.530 56.287 0.046 0.000 0.929 145 K CB -0.096 32.429 32.500 0.042 0.000 0.715 145 K HN 0.747 nan 8.250 nan 0.000 0.451 146 S N 0.609 116.323 115.700 0.022 0.000 2.344 146 S HA -0.177 4.295 4.470 0.003 0.000 0.217 146 S C 2.229 176.835 174.600 0.010 0.000 1.033 146 S CA 1.951 60.157 58.200 0.011 0.000 1.017 146 S CB -1.105 62.097 63.200 0.003 0.000 0.941 146 S HN 0.461 nan 8.310 nan 0.000 0.430 147 T N -2.143 112.416 114.554 0.010 0.000 3.085 147 T HA 0.386 4.737 4.350 0.003 0.000 0.263 147 T C 1.740 176.461 174.700 0.036 0.000 1.127 147 T CA 0.818 62.923 62.100 0.008 0.000 1.103 147 T CB -0.868 67.992 68.868 -0.014 0.000 0.921 147 T HN 1.385 nan 8.240 nan 0.000 0.510 148 G N 1.164 110.006 108.800 0.070 0.000 2.166 148 G HA2 -0.259 3.703 3.960 0.003 0.000 0.260 148 G HA3 -0.259 3.703 3.960 0.003 0.000 0.260 148 G C -0.248 174.808 174.900 0.261 0.000 0.986 148 G CA 0.472 45.644 45.100 0.120 0.000 0.683 148 G HN 0.674 nan 8.290 nan 0.000 0.527 149 E N -0.639 119.669 120.200 0.180 0.000 2.235 149 E HA 0.599 4.950 4.350 0.003 0.000 0.265 149 E C 0.590 177.046 176.600 -0.240 0.000 0.940 149 E CA -1.117 55.322 56.400 0.064 0.000 0.819 149 E CB 1.205 30.883 29.700 -0.037 0.000 1.206 149 E HN 0.307 nan 8.360 nan 0.000 0.409 150 R N 1.091 121.240 120.500 -0.586 0.000 2.698 150 R HA 0.035 4.377 4.340 0.003 0.000 0.266 150 R C 0.657 176.690 176.300 -0.444 0.000 1.026 150 R CA 0.221 55.849 56.100 -0.787 0.000 1.102 150 R CB 0.339 30.293 30.300 -0.577 0.000 0.978 150 R HN 0.493 nan 8.270 nan 0.000 0.436 151 L N 2.425 123.395 121.223 -0.420 0.000 2.607 151 L HA 0.215 4.556 4.340 0.003 0.000 0.228 151 L C -0.395 175.889 176.870 -0.976 0.000 1.123 151 L CA 0.346 54.826 54.840 -0.600 0.000 0.890 151 L CB 0.149 41.857 42.059 -0.585 0.000 1.103 151 L HN 0.468 nan 8.230 nan 0.000 0.468 152 F N -1.652 118.194 119.950 -0.174 0.000 2.745 152 F HA 0.339 4.868 4.527 0.004 0.000 0.316 152 F C -0.074 175.626 175.800 -0.167 0.000 1.155 152 F CA -1.360 56.558 58.000 -0.136 0.000 0.937 152 F CB 0.875 39.829 39.000 -0.077 0.000 1.361 152 F HN -0.360 nan 8.300 nan 0.000 0.472 153 K N 2.678 123.118 120.400 0.067 0.000 2.382 153 K HA 0.149 4.471 4.320 0.003 0.000 0.275 153 K C -1.917 174.647 176.600 -0.060 0.000 1.009 153 K CA -1.129 55.105 56.287 -0.089 0.000 0.970 153 K CB 0.565 33.011 32.500 -0.089 0.000 0.934 153 K HN 0.259 nan 8.250 nan 0.000 0.479 154 P HA -0.023 nan 4.420 nan 0.000 0.239 154 P C -0.900 176.498 177.300 0.162 0.000 1.188 154 P CA 0.752 63.828 63.100 -0.040 0.000 0.794 154 P CB 0.149 31.776 31.700 -0.122 0.000 0.937 155 W N -1.039 120.297 121.300 0.059 0.000 2.982 155 W HA 0.700 5.361 4.660 0.003 0.000 0.344 155 W C -2.398 174.148 176.519 0.044 0.000 1.215 155 W CA -1.622 55.765 57.345 0.069 0.000 1.182 155 W CB 0.243 29.738 29.460 0.058 0.000 1.437 155 W HN -0.048 nan 8.180 nan 0.000 0.570 156 A N 1.777 124.902 122.820 0.509 0.000 2.435 156 A HA 0.871 5.193 4.320 0.003 0.000 0.304 156 A C -1.890 175.755 177.584 0.103 0.000 1.064 156 A CA -1.001 51.164 52.037 0.213 0.000 0.727 156 A CB 1.362 20.410 19.000 0.079 0.000 1.284 156 A HN 0.801 nan 8.150 nan 0.000 0.415 157 L N 1.055 122.179 121.223 -0.165 0.000 2.334 157 L HA 0.715 5.057 4.340 0.003 0.000 0.276 157 L C -1.335 175.220 176.870 -0.525 0.000 1.014 157 L CA -0.400 54.343 54.840 -0.162 0.000 0.815 157 L CB 1.648 43.685 42.059 -0.036 0.000 1.268 157 L HN 0.692 nan 8.230 nan 0.000 0.428 158 F N 0.771 120.737 119.950 0.028 0.000 2.565 158 F HA 0.478 5.008 4.527 0.004 0.000 0.313 158 F C -0.171 175.625 175.800 -0.007 0.000 1.091 158 F CA -0.879 57.133 58.000 0.020 0.000 0.915 158 F CB 1.880 40.891 39.000 0.017 0.000 1.208 158 F HN 0.202 nan 8.300 nan 0.000 0.453 159 K N 3.169 123.669 120.400 0.168 0.000 2.185 159 K HA 0.659 4.981 4.320 0.003 0.000 0.269 159 K C -0.640 176.023 176.600 0.105 0.000 0.987 159 K CA -0.977 55.367 56.287 0.095 0.000 0.865 159 K CB 1.313 33.853 32.500 0.066 0.000 1.090 159 K HN 0.367 nan 8.250 nan 0.000 0.450 160 R N 3.469 124.008 120.500 0.064 0.000 2.518 160 R HA 0.184 4.526 4.340 0.003 0.000 0.296 160 R C -0.299 176.047 176.300 0.077 0.000 1.080 160 R CA -0.416 55.721 56.100 0.062 0.000 0.922 160 R CB 1.141 31.459 30.300 0.031 0.000 1.184 160 R HN 0.895 nan 8.270 nan 0.000 0.445 161 Q N 0.452 120.319 119.800 0.111 0.000 1.409 161 Q HA -0.265 4.077 4.340 0.003 0.000 0.359 161 Q C 0.012 176.099 176.000 0.144 0.000 0.955 161 Q CA 1.996 57.898 55.803 0.165 0.000 0.718 161 Q CB -0.677 28.244 28.738 0.305 0.000 4.264 161 Q HN 0.744 nan 8.270 nan 0.000 0.586 162 D N 0.866 121.390 120.400 0.207 0.000 2.336 162 D HA 0.223 4.864 4.640 0.003 0.000 0.228 162 D C 0.259 176.583 176.300 0.039 0.000 1.120 162 D CA 0.226 54.304 54.000 0.130 0.000 0.839 162 D CB -0.267 40.635 40.800 0.171 0.000 0.932 162 D HN 0.202 nan 8.370 nan 0.000 0.509 163 L N 0.158 121.352 121.223 -0.048 0.000 2.375 163 L HA 0.329 4.671 4.340 0.003 0.000 0.271 163 L C 0.577 177.390 176.870 -0.095 0.000 1.107 163 L CA -0.736 54.003 54.840 -0.167 0.000 0.806 163 L CB 1.341 43.179 42.059 -0.368 0.000 1.146 163 L HN -0.146 nan 8.230 nan 0.000 0.447 164 K N 3.702 124.038 120.400 -0.106 0.000 2.293 164 K HA 0.566 4.888 4.320 0.003 0.000 0.267 164 K C -1.195 175.348 176.600 -0.095 0.000 1.010 164 K CA -0.434 55.813 56.287 -0.066 0.000 0.875 164 K CB 0.943 33.408 32.500 -0.059 0.000 1.106 164 K HN 0.504 nan 8.250 nan 0.000 0.450 165 I N 3.528 124.081 120.570 -0.029 0.000 2.406 165 I HA 0.367 4.538 4.170 0.003 0.000 0.290 165 I C -0.280 175.883 176.117 0.077 0.000 0.999 165 I CA -0.956 60.328 61.300 -0.027 0.000 1.124 165 I CB 1.922 39.906 38.000 -0.027 0.000 1.289 165 I HN 0.635 nan 8.210 nan 0.000 0.441 166 A N 6.387 129.202 122.820 -0.008 0.000 2.305 166 A HA 0.792 5.114 4.320 0.003 0.000 0.322 166 A C -0.679 176.953 177.584 0.081 0.000 1.187 166 A CA -0.483 51.550 52.037 -0.006 0.000 0.825 166 A CB 1.313 20.179 19.000 -0.222 0.000 1.164 166 A HN 0.466 nan 8.150 nan 0.000 0.498 167 V N 4.240 124.286 119.914 0.221 0.000 2.443 167 V HA 0.332 4.454 4.120 0.003 0.000 0.293 167 V C -0.290 175.967 176.094 0.273 0.000 1.021 167 V CA -0.115 62.325 62.300 0.232 0.000 0.848 167 V CB 1.106 33.116 31.823 0.312 0.000 0.998 167 V HN 0.781 nan 8.190 nan 0.000 0.424 168 I N 3.342 124.034 120.570 0.205 0.000 2.566 168 I HA 0.717 4.888 4.170 0.003 0.000 0.303 168 I C 0.935 177.174 176.117 0.203 0.000 0.983 168 I CA -0.136 61.311 61.300 0.245 0.000 1.235 168 I CB 1.578 39.693 38.000 0.192 0.000 1.386 168 I HN 0.678 nan 8.210 nan 0.000 0.494 169 G N 4.971 113.892 108.800 0.200 0.000 2.453 169 G HA2 0.824 4.785 3.960 0.003 0.000 0.323 169 G HA3 0.824 4.785 3.960 0.003 0.000 0.323 169 G C -1.193 173.796 174.900 0.148 0.000 1.198 169 G CA -0.502 44.695 45.100 0.161 0.000 0.959 169 G HN 0.449 nan 8.290 nan 0.000 0.482 170 L N 0.397 121.705 121.223 0.142 0.000 2.513 170 L HA 0.479 4.821 4.340 0.003 0.000 0.261 170 L C -0.682 176.284 176.870 0.161 0.000 0.945 170 L CA -0.744 54.183 54.840 0.144 0.000 0.848 170 L CB 2.908 45.044 42.059 0.128 0.000 1.334 170 L HN 0.498 nan 8.230 nan 0.000 0.407 171 T N -0.010 114.657 114.554 0.187 0.000 2.824 171 T HA 0.241 4.592 4.350 0.003 0.000 0.282 171 T C -0.116 174.691 174.700 0.180 0.000 0.993 171 T CA -0.412 61.822 62.100 0.225 0.000 0.967 171 T CB 1.934 71.003 68.868 0.335 0.000 0.960 171 T HN 0.586 nan 8.240 nan 0.000 0.441 172 T N 2.422 117.003 114.554 0.045 0.000 2.923 172 T HA -0.038 4.314 4.350 0.003 0.000 0.304 172 T C 0.738 175.400 174.700 -0.063 0.000 1.044 172 T CA -0.080 61.986 62.100 -0.056 0.000 1.141 172 T CB -0.019 68.692 68.868 -0.261 0.000 1.023 172 T HN 0.658 nan 8.240 nan 0.000 0.533 173 D N 2.929 123.316 120.400 -0.022 0.000 2.519 173 D HA 0.124 4.766 4.640 0.003 0.000 0.238 173 D C 0.365 176.566 176.300 -0.165 0.000 1.192 173 D CA -0.192 53.793 54.000 -0.024 0.000 0.835 173 D CB 0.237 41.074 40.800 0.062 0.000 0.975 173 D HN 0.449 nan 8.370 nan 0.000 0.490 174 D N -0.637 119.618 120.400 -0.241 0.000 2.398 174 D HA 0.030 4.672 4.640 0.003 0.000 0.210 174 D C 1.439 177.506 176.300 -0.389 0.000 1.094 174 D CA 0.284 54.155 54.000 -0.214 0.000 0.839 174 D CB 0.597 41.359 40.800 -0.064 0.000 0.963 174 D HN 0.019 nan 8.370 nan 0.000 0.506 175 T N -0.102 114.016 114.554 -0.727 0.000 2.595 175 T HA -0.179 4.173 4.350 0.003 0.000 0.264 175 T C 2.010 176.002 174.700 -1.179 0.000 1.058 175 T CA 1.752 63.214 62.100 -1.064 0.000 1.166 175 T CB -0.289 67.371 68.868 -2.013 0.000 0.863 175 T HN 0.183 nan 8.240 nan 0.000 0.415 176 A N 1.379 123.341 122.820 -1.430 0.000 1.933 176 A HA -0.115 4.206 4.320 0.003 0.000 0.218 176 A C 2.221 179.500 177.584 -0.508 0.000 1.175 176 A CA 2.107 53.379 52.037 -1.274 0.000 0.628 176 A CB -0.625 18.013 19.000 -0.604 0.000 0.814 176 A HN 0.524 nan 8.150 nan 0.000 0.444 177 K N 0.218 120.402 120.400 -0.360 0.000 2.044 177 K HA -0.151 4.171 4.320 0.003 0.000 0.210 177 K C 1.695 178.237 176.600 -0.096 0.000 1.049 177 K CA 2.086 58.270 56.287 -0.171 0.000 0.927 177 K CB -0.343 32.075 32.500 -0.136 0.000 0.713 177 K HN 0.692 nan 8.250 nan 0.000 0.443 178 I N -2.902 117.605 120.570 -0.104 0.000 3.968 178 I HA 0.282 4.454 4.170 0.003 0.000 0.328 178 I C 0.888 177.074 176.117 0.115 0.000 1.290 178 I CA -0.360 60.958 61.300 0.029 0.000 1.163 178 I CB 0.176 38.195 38.000 0.031 0.000 1.024 178 I HN 0.025 nan 8.210 nan 0.000 0.413 179 G N 1.639 110.450 108.800 0.018 0.000 2.510 179 G HA2 0.085 4.046 3.960 0.003 0.000 0.280 179 G HA3 0.085 4.046 3.960 0.003 0.000 0.280 179 G C -0.697 174.528 174.900 0.542 0.000 1.386 179 G CA -0.561 44.696 45.100 0.261 0.000 1.047 179 G HN 0.321 nan 8.290 nan 0.000 0.527 180 N N 0.365 119.516 118.700 0.752 0.000 2.415 180 N HA 0.281 5.023 4.740 0.003 0.000 0.246 180 N C -1.436 174.175 175.510 0.168 0.000 1.078 180 N CA -1.880 51.406 53.050 0.394 0.000 0.942 180 N CB 1.486 40.137 38.487 0.274 0.000 1.140 180 N HN -0.068 nan 8.380 nan 0.000 0.501 181 P HA -0.288 nan 4.420 nan 0.000 0.222 181 P C 0.464 177.710 177.300 -0.090 0.000 1.157 181 P CA 1.807 64.918 63.100 0.018 0.000 0.905 181 P CB 0.039 31.661 31.700 -0.129 0.000 0.792 182 E N -2.432 117.607 120.200 -0.269 0.000 2.515 182 E HA -0.177 4.175 4.350 0.003 0.000 0.201 182 E C 0.686 177.074 176.600 -0.353 0.000 1.071 182 E CA 0.838 57.048 56.400 -0.316 0.000 0.880 182 E CB -0.640 28.846 29.700 -0.356 0.000 0.828 182 E HN 0.354 nan 8.360 nan 0.000 0.540 183 Y N -0.985 119.051 120.300 -0.440 0.000 2.442 183 Y HA 0.231 4.783 4.550 0.003 0.000 0.250 183 Y C 0.521 175.953 175.900 -0.780 0.000 1.113 183 Y CA -0.637 57.073 58.100 -0.650 0.000 1.273 183 Y CB 0.409 38.346 38.460 -0.872 0.000 1.138 183 Y HN 0.031 nan 8.280 nan 0.000 0.522 184 F N -1.591 118.487 119.950 0.214 0.000 2.708 184 F HA 0.271 4.800 4.527 0.003 0.000 0.300 184 F C 1.660 177.516 175.800 0.093 0.000 1.118 184 F CA -0.382 57.714 58.000 0.161 0.000 1.307 184 F CB -0.642 38.449 39.000 0.151 0.000 0.986 184 F HN -0.215 nan 8.300 nan 0.000 0.522 185 T N -0.366 114.253 114.554 0.107 0.000 2.635 185 T HA -0.254 4.098 4.350 0.003 0.000 0.267 185 T C 1.076 175.821 174.700 0.075 0.000 1.040 185 T CA 2.156 64.296 62.100 0.066 0.000 1.156 185 T CB -0.174 68.706 68.868 0.021 0.000 0.863 185 T HN 0.167 nan 8.240 nan 0.000 0.430 186 D N 0.101 120.548 120.400 0.078 0.000 2.891 186 D HA 0.341 4.983 4.640 0.003 0.000 0.332 186 D C -0.902 175.446 176.300 0.080 0.000 1.369 186 D CA -0.228 53.810 54.000 0.063 0.000 0.827 186 D CB -0.206 40.614 40.800 0.034 0.000 1.141 186 D HN 0.289 nan 8.370 nan 0.000 0.464 187 I N 1.468 122.117 120.570 0.132 0.000 2.586 187 I HA 0.253 4.425 4.170 0.003 0.000 0.288 187 I C -0.869 175.337 176.117 0.149 0.000 1.147 187 I CA -0.799 60.577 61.300 0.127 0.000 1.047 187 I CB 2.170 40.292 38.000 0.204 0.000 1.244 187 I HN 0.013 nan 8.210 nan 0.000 0.429 188 E N 5.497 125.727 120.200 0.051 0.000 2.238 188 E HA 0.568 4.920 4.350 0.003 0.000 0.267 188 E C -1.579 174.999 176.600 -0.037 0.000 0.887 188 E CA -0.739 55.710 56.400 0.082 0.000 0.769 188 E CB 2.054 31.794 29.700 0.067 0.000 1.187 188 E HN 0.239 nan 8.360 nan 0.000 0.416 189 F N 2.225 122.172 119.950 -0.005 0.000 2.335 189 F HA 0.338 4.867 4.527 0.003 0.000 0.365 189 F C 0.688 176.497 175.800 0.015 0.000 1.122 189 F CA -0.716 57.284 58.000 -0.000 0.000 1.151 189 F CB 0.864 39.802 39.000 -0.104 0.000 1.282 189 F HN 0.224 nan 8.300 nan 0.000 0.513 190 R N 2.449 123.033 120.500 0.140 0.000 2.641 190 R HA 0.231 4.573 4.340 0.003 0.000 0.269 190 R C 0.121 176.481 176.300 0.099 0.000 1.074 190 R CA -0.900 55.245 56.100 0.075 0.000 1.133 190 R CB 0.639 30.939 30.300 0.000 0.000 1.029 190 R HN 0.372 nan 8.270 nan 0.000 0.488 191 K N 3.074 123.508 120.400 0.057 0.000 2.361 191 K HA 0.004 4.326 4.320 0.003 0.000 0.283 191 K C -1.966 174.675 176.600 0.069 0.000 1.078 191 K CA -0.947 55.371 56.287 0.052 0.000 1.041 191 K CB 0.260 32.774 32.500 0.024 0.000 0.932 191 K HN 0.344 nan 8.250 nan 0.000 0.462 192 P HA -0.248 nan 4.420 nan 0.000 0.216 192 P C 1.223 178.570 177.300 0.079 0.000 1.154 192 P CA 1.575 64.733 63.100 0.098 0.000 0.865 192 P CB 0.187 31.948 31.700 0.102 0.000 0.789 193 A N -0.488 122.366 122.820 0.057 0.000 1.978 193 A HA -0.240 4.082 4.320 0.003 0.000 0.220 193 A C 1.938 179.551 177.584 0.049 0.000 1.170 193 A CA 2.191 54.257 52.037 0.048 0.000 0.636 193 A CB -1.286 17.735 19.000 0.034 0.000 0.810 193 A HN 0.117 nan 8.150 nan 0.000 0.448 194 D N -1.011 119.418 120.400 0.048 0.000 2.137 194 D HA -0.050 4.592 4.640 0.003 0.000 0.202 194 D C 1.944 178.282 176.300 0.064 0.000 0.970 194 D CA 1.345 55.371 54.000 0.044 0.000 0.837 194 D CB -0.314 40.502 40.800 0.028 0.000 0.981 194 D HN 0.459 nan 8.370 nan 0.000 0.475 195 E N 0.965 121.217 120.200 0.088 0.000 2.110 195 E HA -0.097 4.255 4.350 0.003 0.000 0.193 195 E C 1.859 178.534 176.600 0.124 0.000 0.988 195 E CA 1.205 57.681 56.400 0.126 0.000 0.804 195 E CB -0.272 29.528 29.700 0.166 0.000 0.745 195 E HN 0.171 nan 8.360 nan 0.000 0.458 196 A N 0.863 123.746 122.820 0.105 0.000 1.877 196 A HA -0.232 4.090 4.320 0.003 0.000 0.216 196 A C 2.042 179.674 177.584 0.079 0.000 1.186 196 A CA 1.842 53.937 52.037 0.096 0.000 0.620 196 A CB -0.431 18.614 19.000 0.077 0.000 0.822 196 A HN 0.178 nan 8.150 nan 0.000 0.443 197 K N -0.430 120.008 120.400 0.063 0.000 2.032 197 K HA -0.096 4.226 4.320 0.003 0.000 0.209 197 K C 1.929 178.565 176.600 0.060 0.000 1.048 197 K CA 1.487 57.804 56.287 0.049 0.000 0.927 197 K CB -0.478 32.044 32.500 0.038 0.000 0.712 197 K HN 0.484 nan 8.250 nan 0.000 0.441 198 L N 0.657 121.926 121.223 0.077 0.000 2.012 198 L HA -0.199 4.143 4.340 0.003 0.000 0.210 198 L C 2.411 179.357 176.870 0.127 0.000 1.073 198 L CA 1.002 55.898 54.840 0.093 0.000 0.748 198 L CB -0.514 41.606 42.059 0.102 0.000 0.891 198 L HN -0.025 nan 8.230 nan 0.000 0.431 199 V N -0.197 119.813 119.914 0.160 0.000 2.548 199 V HA -0.228 3.894 4.120 0.003 0.000 0.249 199 V C 2.251 178.413 176.094 0.114 0.000 1.055 199 V CA 1.477 63.916 62.300 0.233 0.000 1.065 199 V CB -0.199 31.805 31.823 0.301 0.000 0.681 199 V HN 0.319 nan 8.190 nan 0.000 0.462 200 I N -0.474 120.130 120.570 0.057 0.000 2.315 200 I HA -0.244 3.928 4.170 0.003 0.000 0.248 200 I C 2.672 178.773 176.117 -0.027 0.000 1.117 200 I CA 1.372 62.665 61.300 -0.011 0.000 1.404 200 I CB -0.279 37.722 38.000 0.001 0.000 1.071 200 I HN 0.366 nan 8.210 nan 0.000 0.419 201 Q N 0.315 120.122 119.800 0.012 0.000 2.046 201 Q HA -0.211 4.131 4.340 0.003 0.000 0.200 201 Q C 2.125 178.131 176.000 0.009 0.000 0.975 201 Q CA 1.242 57.051 55.803 0.010 0.000 0.836 201 Q CB -0.162 28.593 28.738 0.028 0.000 0.896 201 Q HN 0.487 nan 8.270 nan 0.000 0.428 202 E N 0.765 120.997 120.200 0.052 0.000 2.048 202 E HA -0.232 4.119 4.350 0.003 0.000 0.202 202 E C 2.168 178.747 176.600 -0.035 0.000 1.021 202 E CA 1.235 57.690 56.400 0.092 0.000 0.825 202 E CB -0.232 29.633 29.700 0.275 0.000 0.756 202 E HN 0.310 nan 8.360 nan 0.000 0.454 203 L N 0.756 121.836 121.223 -0.238 0.000 2.012 203 L HA -0.250 4.092 4.340 0.003 0.000 0.210 203 L C 2.775 179.513 176.870 -0.220 0.000 1.073 203 L CA 1.141 55.719 54.840 -0.437 0.000 0.748 203 L CB -0.443 41.257 42.059 -0.598 0.000 0.891 203 L HN 0.150 nan 8.230 nan 0.000 0.431 204 Q N -0.386 119.331 119.800 -0.140 0.000 2.181 204 Q HA -0.244 4.097 4.340 0.003 0.000 0.205 204 Q C 2.163 178.129 176.000 -0.056 0.000 0.980 204 Q CA 1.661 57.413 55.803 -0.085 0.000 0.862 204 Q CB -0.022 28.684 28.738 -0.053 0.000 0.905 204 Q HN 0.525 nan 8.270 nan 0.000 0.429 205 Q N -1.812 117.963 119.800 -0.041 0.000 2.349 205 Q HA 0.024 4.366 4.340 0.003 0.000 0.209 205 Q C 1.772 177.767 176.000 -0.009 0.000 0.920 205 Q CA 1.182 56.976 55.803 -0.016 0.000 0.901 205 Q CB 0.275 29.016 28.738 0.004 0.000 1.021 205 Q HN 0.216 nan 8.270 nan 0.000 0.519 206 T N -0.722 113.826 114.554 -0.010 0.000 3.031 206 T HA 0.017 4.369 4.350 0.003 0.000 0.254 206 T C 1.034 175.731 174.700 -0.006 0.000 1.060 206 T CA 0.799 62.911 62.100 0.020 0.000 1.135 206 T CB 0.227 69.152 68.868 0.096 0.000 0.896 206 T HN 0.084 nan 8.240 nan 0.000 0.472 207 E N 0.297 120.453 120.200 -0.073 0.000 2.453 207 E HA 0.204 4.556 4.350 0.003 0.000 0.211 207 E C 0.192 176.739 176.600 -0.088 0.000 0.897 207 E CA 0.019 56.367 56.400 -0.087 0.000 1.063 207 E CB 0.395 29.993 29.700 -0.170 0.000 1.080 207 E HN 0.426 nan 8.360 nan 0.000 0.512 208 K N 1.738 122.082 120.400 -0.092 0.000 3.156 208 K HA -0.140 4.182 4.320 0.003 0.000 0.266 208 K C -2.408 174.146 176.600 -0.076 0.000 0.966 208 K CA 0.324 56.569 56.287 -0.070 0.000 0.719 208 K CB -1.277 31.196 32.500 -0.046 0.000 1.333 208 K HN 0.232 nan 8.250 nan 0.000 0.468 209 P HA -0.035 nan 4.420 nan 0.000 0.270 209 P C 0.079 177.327 177.300 -0.087 0.000 1.223 209 P CA 0.085 63.117 63.100 -0.113 0.000 0.785 209 P CB 0.624 32.228 31.700 -0.161 0.000 0.923 210 D N 0.511 120.845 120.400 -0.111 0.000 2.194 210 D HA 0.074 4.716 4.640 0.003 0.000 0.204 210 D C 0.699 176.876 176.300 -0.205 0.000 0.964 210 D CA 1.324 55.257 54.000 -0.113 0.000 0.846 210 D CB 0.359 41.013 40.800 -0.244 0.000 0.962 210 D HN 0.355 nan 8.370 nan 0.000 0.490 211 I N 0.660 121.085 120.570 -0.242 0.000 2.722 211 I HA 0.294 4.466 4.170 0.003 0.000 0.295 211 I C -0.869 175.153 176.117 -0.158 0.000 1.161 211 I CA -0.579 60.579 61.300 -0.237 0.000 1.032 211 I CB 3.070 40.849 38.000 -0.368 0.000 1.244 211 I HN -0.300 nan 8.210 nan 0.000 0.421 212 I N 6.225 126.720 120.570 -0.124 0.000 2.509 212 I HA 0.566 4.737 4.170 0.003 0.000 0.293 212 I C -0.872 175.205 176.117 -0.067 0.000 1.020 212 I CA -0.612 60.634 61.300 -0.090 0.000 1.088 212 I CB 2.206 40.156 38.000 -0.085 0.000 1.267 212 I HN 0.330 nan 8.210 nan 0.000 0.430 213 I N 4.142 124.694 120.570 -0.030 0.000 2.686 213 I HA 0.609 4.781 4.170 0.003 0.000 0.295 213 I C -0.408 175.732 176.117 0.038 0.000 1.114 213 I CA -0.632 60.664 61.300 -0.006 0.000 1.038 213 I CB 2.314 40.303 38.000 -0.019 0.000 1.238 213 I HN 0.617 nan 8.210 nan 0.000 0.420 214 A N 4.305 127.154 122.820 0.048 0.000 2.318 214 A HA 0.894 5.216 4.320 0.003 0.000 0.324 214 A C -0.497 177.136 177.584 0.081 0.000 1.170 214 A CA -0.525 51.559 52.037 0.077 0.000 0.810 214 A CB 1.279 20.322 19.000 0.073 0.000 1.198 214 A HN 0.766 nan 8.150 nan 0.000 0.484 215 A N 2.149 125.034 122.820 0.108 0.000 2.276 215 A HA 0.796 5.117 4.320 0.003 0.000 0.316 215 A C 0.261 177.922 177.584 0.129 0.000 1.229 215 A CA 0.139 52.245 52.037 0.114 0.000 0.851 215 A CB 0.367 19.448 19.000 0.136 0.000 1.165 215 A HN 1.678 nan 8.150 nan 0.000 0.513 216 T N -0.844 113.788 114.554 0.130 0.000 2.903 216 T HA 0.540 4.892 4.350 0.003 0.000 0.299 216 T C -0.816 173.998 174.700 0.190 0.000 1.093 216 T CA -0.447 61.739 62.100 0.142 0.000 1.002 216 T CB 1.448 70.376 68.868 0.100 0.000 1.127 216 T HN 0.636 nan 8.240 nan 0.000 0.488 217 H N 1.505 120.629 119.070 0.090 0.000 2.355 217 H HA 0.578 5.136 4.556 0.004 0.000 0.232 217 H C 0.410 175.756 175.328 0.031 0.000 1.422 217 H CA -0.589 55.516 56.048 0.095 0.000 1.261 217 H CB -0.155 29.652 29.762 0.075 0.000 1.595 217 H HN 0.663 nan 8.280 nan 0.000 0.529 218 M N 0.002 119.584 119.600 -0.030 0.000 2.669 218 M HA 0.324 4.806 4.480 0.003 0.000 0.248 218 M C 0.493 176.828 176.300 0.057 0.000 1.382 218 M CA 0.699 56.004 55.300 0.008 0.000 1.158 218 M CB 1.168 33.789 32.600 0.036 0.000 1.371 218 M HN 0.535 nan 8.290 nan 0.000 0.540 219 G N 0.862 109.618 108.800 -0.072 0.000 2.784 219 G HA2 -0.136 3.826 3.960 0.003 0.000 0.686 219 G HA3 -0.136 3.826 3.960 0.003 0.000 0.686 219 G C -1.401 173.144 174.900 -0.591 0.000 1.156 219 G CA -0.897 43.993 45.100 -0.350 0.000 0.757 219 G HN 0.476 nan 8.290 nan 0.000 0.642 220 H N 1.479 120.157 119.070 -0.652 0.000 2.504 220 H HA 0.650 5.208 4.556 0.005 0.000 0.322 220 H C -1.147 173.857 175.328 -0.540 0.000 1.055 220 H CA -0.389 55.386 56.048 -0.456 0.000 1.231 220 H CB 0.917 30.548 29.762 -0.219 0.000 1.417 220 H HN 0.433 nan 8.280 nan 0.000 0.472 221 Y N 2.812 122.890 120.300 -0.370 0.000 2.338 221 Y HA 0.116 4.668 4.550 0.003 0.000 0.333 221 Y C 0.083 175.856 175.900 -0.212 0.000 0.968 221 Y CA -1.295 56.720 58.100 -0.141 0.000 1.123 221 Y CB 0.992 39.431 38.460 -0.035 0.000 1.165 221 Y HN 0.573 nan 8.280 nan 0.000 0.452 222 D N 2.962 123.439 120.400 0.128 0.000 2.662 222 D HA -0.126 4.516 4.640 0.003 0.000 0.237 222 D C 0.900 177.221 176.300 0.035 0.000 1.154 222 D CA 1.252 55.317 54.000 0.107 0.000 0.861 222 D CB 0.054 40.920 40.800 0.110 0.000 1.146 222 D HN 0.739 nan 8.370 nan 0.000 0.518 223 N N 1.756 120.462 118.700 0.009 0.000 2.708 223 N HA -0.254 4.488 4.740 0.003 0.000 0.251 223 N C 0.870 176.369 175.510 -0.018 0.000 1.123 223 N CA 1.946 54.992 53.050 -0.008 0.000 0.739 223 N CB -0.936 37.549 38.487 -0.003 0.000 1.113 223 N HN 0.746 nan 8.380 nan 0.000 0.561 224 G N -1.041 107.751 108.800 -0.014 0.000 2.155 224 G HA2 -0.343 3.619 3.960 0.003 0.000 0.257 224 G HA3 -0.343 3.619 3.960 0.003 0.000 0.257 224 G C -0.195 174.700 174.900 -0.007 0.000 0.983 224 G CA 0.489 45.620 45.100 0.051 0.000 0.676 224 G HN 0.656 nan 8.290 nan 0.000 0.528 225 E N 0.577 120.748 120.200 -0.049 0.000 1.852 225 E HA 0.320 4.672 4.350 0.003 0.000 0.276 225 E C 1.249 177.711 176.600 -0.230 0.000 1.163 225 E CA 0.022 56.313 56.400 -0.181 0.000 1.117 225 E CB -0.152 29.487 29.700 -0.101 0.000 1.124 225 E HN 0.842 nan 8.360 nan 0.000 0.458 226 H N 0.988 119.933 119.070 -0.209 0.000 2.551 226 H HA 0.204 4.762 4.556 0.003 0.000 0.266 226 H C 1.337 176.392 175.328 -0.455 0.000 0.977 226 H CA 0.109 55.787 56.048 -0.617 0.000 1.163 226 H CB -0.007 29.456 29.762 -0.498 0.000 1.381 226 H HN 0.462 nan 8.280 nan 0.000 0.581 227 G N 0.807 109.400 108.800 -0.346 0.000 2.661 227 G HA2 -0.509 3.453 3.960 0.003 0.000 0.327 227 G HA3 -0.509 3.453 3.960 0.003 0.000 0.327 227 G C 1.676 176.562 174.900 -0.022 0.000 1.320 227 G CA 1.903 46.899 45.100 -0.173 0.000 0.997 227 G HN 0.778 nan 8.290 nan 0.000 0.543 228 S N 0.776 116.449 115.700 -0.045 0.000 2.469 228 S HA -0.055 4.417 4.470 0.003 0.000 0.238 228 S C 1.126 175.715 174.600 -0.018 0.000 0.998 228 S CA 1.452 59.640 58.200 -0.019 0.000 0.957 228 S CB -0.551 62.628 63.200 -0.035 0.000 0.764 228 S HN 0.632 nan 8.310 nan 0.000 0.514 229 N N 1.796 120.454 118.700 -0.071 0.000 2.467 229 N HA 0.410 5.152 4.740 0.003 0.000 0.262 229 N C -0.099 175.340 175.510 -0.118 0.000 1.234 229 N CA 0.490 53.485 53.050 -0.092 0.000 0.952 229 N CB 0.743 39.085 38.487 -0.241 0.000 1.158 229 N HN 0.390 nan 8.380 nan 0.000 0.463 230 A N 1.652 124.427 122.820 -0.075 0.000 2.483 230 A HA 0.275 4.597 4.320 0.003 0.000 0.238 230 A C -2.000 175.404 177.584 -0.300 0.000 1.070 230 A CA -0.768 51.173 52.037 -0.160 0.000 0.770 230 A CB -0.561 18.405 19.000 -0.056 0.000 1.008 230 A HN 0.422 nan 8.150 nan 0.000 0.497 231 P HA 0.207 nan 4.420 nan 0.000 0.266 231 P C 0.584 177.869 177.300 -0.025 0.000 1.193 231 P CA 0.920 63.717 63.100 -0.505 0.000 0.770 231 P CB 0.746 32.264 31.700 -0.302 0.000 0.836 232 G N 1.087 109.983 108.800 0.161 0.000 3.257 232 G HA2 0.153 4.115 3.960 0.003 0.000 0.205 232 G HA3 0.153 4.115 3.960 0.003 0.000 0.205 232 G C 0.305 175.234 174.900 0.049 0.000 1.234 232 G CA -0.350 44.829 45.100 0.132 0.000 0.918 232 G HN 0.284 nan 8.290 nan 0.000 0.602 233 D N -0.495 119.895 120.400 -0.017 0.000 2.133 233 D HA -0.153 4.488 4.640 0.003 0.000 0.195 233 D C 2.699 178.987 176.300 -0.020 0.000 0.997 233 D CA 1.312 55.305 54.000 -0.013 0.000 0.840 233 D CB -0.340 40.455 40.800 -0.009 0.000 0.947 233 D HN 0.061 nan 8.370 nan 0.000 0.452 234 V N 0.987 120.856 119.914 -0.074 0.000 2.307 234 V HA -0.206 3.916 4.120 0.003 0.000 0.245 234 V C 2.502 178.595 176.094 -0.002 0.000 1.045 234 V CA 1.718 63.979 62.300 -0.064 0.000 1.024 234 V CB -0.505 31.232 31.823 -0.143 0.000 0.651 234 V HN 0.193 nan 8.190 nan 0.000 0.449 235 E N -0.125 120.101 120.200 0.043 0.000 2.058 235 E HA -0.296 4.056 4.350 0.003 0.000 0.194 235 E C 2.255 178.878 176.600 0.037 0.000 0.997 235 E CA 2.017 58.455 56.400 0.062 0.000 0.801 235 E CB -0.165 29.609 29.700 0.124 0.000 0.746 235 E HN 0.590 nan 8.360 nan 0.000 0.450 236 M N 0.313 119.934 119.600 0.035 0.000 2.080 236 M HA -0.185 4.297 4.480 0.003 0.000 0.260 236 M C 2.235 178.546 176.300 0.017 0.000 1.068 236 M CA 2.015 57.332 55.300 0.028 0.000 1.109 236 M CB -0.148 32.472 32.600 0.034 0.000 1.342 236 M HN 0.157 nan 8.290 nan 0.000 0.405 237 A N 0.750 123.575 122.820 0.009 0.000 1.908 237 A HA -0.197 4.125 4.320 0.003 0.000 0.218 237 A C 2.081 179.658 177.584 -0.012 0.000 1.181 237 A CA 1.969 54.004 52.037 -0.004 0.000 0.627 237 A CB -0.725 18.269 19.000 -0.011 0.000 0.818 237 A HN 0.657 nan 8.150 nan 0.000 0.445 238 R N -0.846 119.649 120.500 -0.008 0.000 2.235 238 R HA 0.090 4.432 4.340 0.003 0.000 0.213 238 R C 2.173 178.470 176.300 -0.004 0.000 1.059 238 R CA 0.847 56.940 56.100 -0.011 0.000 0.997 238 R CB -0.227 30.069 30.300 -0.007 0.000 0.884 238 R HN 0.533 nan 8.270 nan 0.000 0.462 239 A N 0.869 123.691 122.820 0.004 0.000 1.924 239 A HA 0.141 4.462 4.320 0.003 0.000 0.211 239 A C 1.024 178.612 177.584 0.006 0.000 1.198 239 A CA 0.032 52.074 52.037 0.008 0.000 0.657 239 A CB -0.068 18.941 19.000 0.016 0.000 0.852 239 A HN 0.062 nan 8.150 nan 0.000 0.454 240 L N 0.303 121.530 121.223 0.007 0.000 2.472 240 L HA 0.125 4.466 4.340 0.003 0.000 0.273 240 L C -2.170 174.698 176.870 -0.003 0.000 1.254 240 L CA -1.560 53.284 54.840 0.006 0.000 0.823 240 L CB -0.189 41.875 42.059 0.008 0.000 1.096 240 L HN 0.077 nan 8.230 nan 0.000 0.521 241 P HA 0.017 nan 4.420 nan 0.000 0.268 241 P C -0.920 176.370 177.300 -0.017 0.000 1.205 241 P CA -0.170 62.924 63.100 -0.009 0.000 0.771 241 P CB 0.608 32.305 31.700 -0.006 0.000 0.858 242 A N 3.749 126.556 122.820 -0.022 0.000 2.573 242 A HA 0.334 4.656 4.320 0.003 0.000 0.250 242 A C 1.516 179.079 177.584 -0.035 0.000 1.049 242 A CA 0.743 52.760 52.037 -0.033 0.000 0.767 242 A CB -1.501 17.480 19.000 -0.032 0.000 0.965 242 A HN 0.904 nan 8.150 nan 0.000 0.514 243 G N 2.133 110.903 108.800 -0.050 0.000 2.283 243 G HA2 -0.268 3.693 3.960 0.003 0.000 0.280 243 G HA3 -0.268 3.693 3.960 0.003 0.000 0.280 243 G C 1.016 175.898 174.900 -0.031 0.000 1.029 243 G CA 1.236 46.306 45.100 -0.050 0.000 0.840 243 G HN 2.128 nan 8.290 nan 0.000 0.505 244 S N -1.568 114.116 115.700 -0.026 0.000 2.489 244 S HA 0.387 4.859 4.470 0.003 0.000 0.228 244 S C 0.948 175.534 174.600 -0.023 0.000 0.995 244 S CA 0.617 58.805 58.200 -0.020 0.000 0.934 244 S CB 0.305 63.497 63.200 -0.014 0.000 0.771 244 S HN 0.587 nan 8.310 nan 0.000 0.522 245 L N 0.387 121.597 121.223 -0.023 0.000 2.362 245 L HA 0.673 5.015 4.340 0.003 0.000 0.271 245 L C 1.118 177.973 176.870 -0.026 0.000 1.002 245 L CA -0.473 54.354 54.840 -0.021 0.000 0.818 245 L CB 1.734 43.792 42.059 -0.001 0.000 1.298 245 L HN 0.105 nan 8.230 nan 0.000 0.420 246 A N 3.896 126.688 122.820 -0.046 0.000 1.970 246 A HA 0.146 4.468 4.320 0.003 0.000 0.216 246 A C 0.596 178.218 177.584 0.064 0.000 1.170 246 A CA 1.156 53.158 52.037 -0.058 0.000 0.645 246 A CB 0.063 18.929 19.000 -0.223 0.000 0.816 246 A HN 0.769 nan 8.150 nan 0.000 0.447 247 M N -2.730 116.910 119.600 0.066 0.000 2.694 247 M HA 0.601 5.083 4.480 0.003 0.000 0.276 247 M C -2.378 173.976 176.300 0.090 0.000 1.167 247 M CA -0.604 54.797 55.300 0.167 0.000 0.849 247 M CB 1.179 33.952 32.600 0.289 0.000 1.705 247 M HN -0.101 nan 8.290 nan 0.000 0.504 248 I N 2.374 122.998 120.570 0.090 0.000 2.389 248 I HA 0.476 4.648 4.170 0.003 0.000 0.288 248 I C -0.884 175.244 176.117 0.018 0.000 0.999 248 I CA -1.106 60.226 61.300 0.054 0.000 1.129 248 I CB 2.152 40.184 38.000 0.053 0.000 1.288 248 I HN 0.485 nan 8.210 nan 0.000 0.444 249 V N 6.529 126.444 119.914 0.001 0.000 2.304 249 V HA 0.433 4.555 4.120 0.003 0.000 0.269 249 V C 0.800 176.911 176.094 0.029 0.000 1.036 249 V CA -0.164 62.099 62.300 -0.062 0.000 0.840 249 V CB 0.639 32.426 31.823 -0.059 0.000 1.036 249 V HN 0.925 nan 8.190 nan 0.000 0.466 250 G N 2.896 111.716 108.800 0.033 0.000 2.606 250 G HA2 0.887 4.849 3.960 0.003 0.000 0.262 250 G HA3 0.887 4.849 3.960 0.003 0.000 0.262 250 G C 0.112 175.089 174.900 0.128 0.000 1.394 250 G CA -0.021 45.126 45.100 0.079 0.000 1.044 250 G HN 1.085 nan 8.290 nan 0.000 0.553 251 G N -3.428 105.431 108.800 0.098 0.000 2.392 251 G HA2 0.468 4.430 3.960 0.003 0.000 0.260 251 G HA3 0.468 4.430 3.960 0.003 0.000 0.260 251 G C 0.094 174.995 174.900 0.002 0.000 1.226 251 G CA 0.991 46.165 45.100 0.124 0.000 0.913 251 G HN 1.699 nan 8.290 nan 0.000 0.483 252 H N -1.082 117.850 119.070 -0.229 0.000 4.919 252 H HA -0.317 4.241 4.556 0.003 0.000 0.068 252 H C 2.252 177.552 175.328 -0.046 0.000 0.578 252 H CA 3.936 59.716 56.048 -0.447 0.000 1.013 252 H CB -1.472 27.820 29.762 -0.785 0.000 0.454 252 H HN 1.339 nan 8.280 nan 0.000 0.774 253 S N 1.242 116.835 115.700 -0.179 0.000 2.522 253 S HA 0.023 4.495 4.470 0.003 0.000 0.227 253 S C 0.765 175.351 174.600 -0.024 0.000 0.986 253 S CA 0.890 58.999 58.200 -0.151 0.000 0.929 253 S CB -0.020 63.053 63.200 -0.211 0.000 0.769 253 S HN 0.692 nan 8.310 nan 0.000 0.529 254 Q N 1.457 121.279 119.800 0.036 0.000 2.455 254 Q HA -0.118 4.224 4.340 0.003 0.000 0.343 254 Q C -1.407 174.678 176.000 0.142 0.000 1.458 254 Q CA 0.764 56.641 55.803 0.123 0.000 0.923 254 Q CB -1.569 27.242 28.738 0.121 0.000 1.149 254 Q HN 0.679 nan 8.270 nan 0.000 0.357 255 D N 0.801 121.222 120.400 0.036 0.000 2.732 255 D HA 0.380 5.022 4.640 0.003 0.000 0.229 255 D C -2.654 173.527 176.300 -0.200 0.000 1.152 255 D CA -1.550 52.357 54.000 -0.155 0.000 0.854 255 D CB 2.225 42.936 40.800 -0.149 0.000 1.590 255 D HN -0.080 nan 8.370 nan 0.000 0.468 256 P HA 0.123 nan 4.420 nan 0.000 0.287 256 P C -0.055 176.994 177.300 -0.418 0.000 1.307 256 P CA -0.416 62.444 63.100 -0.400 0.000 0.777 256 P CB 0.947 32.276 31.700 -0.618 0.000 0.883 257 V N 5.370 125.077 119.914 -0.345 0.000 2.352 257 V HA 0.061 4.183 4.120 0.003 0.000 0.253 257 V C 0.185 176.027 176.094 -0.420 0.000 1.083 257 V CA 0.448 62.493 62.300 -0.426 0.000 0.993 257 V CB -0.569 30.979 31.823 -0.459 0.000 1.111 257 V HN 0.649 nan 8.190 nan 0.000 0.490 258 c N 6.900 125.256 118.600 -0.408 0.000 2.442 258 c HA 0.518 5.090 4.570 0.003 0.000 0.335 258 c C 0.081 174.055 174.090 -0.192 0.000 1.134 258 c CA -1.304 54.826 56.329 -0.331 0.000 1.344 258 c CB 0.919 43.129 42.510 -0.499 0.000 1.956 258 c HN 0.643 nan 8.230 nan 0.000 0.438 259 M N 2.365 121.884 119.600 -0.136 0.000 2.200 259 M HA 0.233 4.715 4.480 0.003 0.000 0.355 259 M C 1.139 177.425 176.300 -0.023 0.000 1.283 259 M CA -0.410 54.849 55.300 -0.068 0.000 1.124 259 M CB 0.134 32.712 32.600 -0.037 0.000 1.625 259 M HN 0.831 nan 8.290 nan 0.000 0.463 260 A N 2.710 125.524 122.820 -0.009 0.000 2.021 260 A HA 0.533 4.855 4.320 0.003 0.000 0.216 260 A C 0.892 178.481 177.584 0.008 0.000 1.163 260 A CA 1.224 53.265 52.037 0.006 0.000 0.676 260 A CB 0.099 19.104 19.000 0.008 0.000 0.818 260 A HN 0.928 nan 8.150 nan 0.000 0.453 261 A N -1.402 121.423 122.820 0.008 0.000 2.515 261 A HA 0.499 4.821 4.320 0.003 0.000 0.292 261 A C -0.644 176.949 177.584 0.015 0.000 1.065 261 A CA -0.359 51.684 52.037 0.011 0.000 0.641 261 A CB -0.062 18.944 19.000 0.010 0.000 1.306 261 A HN 0.186 nan 8.150 nan 0.000 0.441 262 E N 1.005 121.214 120.200 0.015 0.000 2.558 262 E HA 0.022 4.374 4.350 0.003 0.000 0.255 262 E C 0.024 176.638 176.600 0.023 0.000 0.968 262 E CA 0.984 57.394 56.400 0.016 0.000 0.939 262 E CB -0.050 29.655 29.700 0.008 0.000 0.921 262 E HN 0.567 nan 8.360 nan 0.000 0.477 263 N N 2.409 121.131 118.700 0.038 0.000 2.863 263 N HA -0.241 4.501 4.740 0.003 0.000 0.245 263 N C -0.647 174.904 175.510 0.068 0.000 1.001 263 N CA 1.446 54.529 53.050 0.054 0.000 0.901 263 N CB -0.863 37.640 38.487 0.027 0.000 1.124 263 N HN 0.558 nan 8.380 nan 0.000 0.582 264 K N 1.225 121.658 120.400 0.055 0.000 2.579 264 K HA 0.268 4.590 4.320 0.003 0.000 0.250 264 K C -0.561 176.056 176.600 0.029 0.000 0.952 264 K CA -0.541 55.775 56.287 0.049 0.000 0.857 264 K CB 1.320 33.837 32.500 0.028 0.000 1.123 264 K HN -0.080 nan 8.250 nan 0.000 0.433 265 K N 2.727 123.145 120.400 0.030 0.000 2.355 265 K HA 0.042 4.364 4.320 0.003 0.000 0.270 265 K C -0.060 176.526 176.600 -0.024 0.000 1.003 265 K CA 0.007 56.269 56.287 -0.041 0.000 0.957 265 K CB 0.719 33.178 32.500 -0.069 0.000 0.939 265 K HN 0.564 nan 8.250 nan 0.000 0.482 266 Q N 1.043 120.824 119.800 -0.032 0.000 2.395 266 Q HA 0.058 4.400 4.340 0.003 0.000 0.271 266 Q C -0.381 175.622 176.000 0.005 0.000 1.026 266 Q CA -0.103 55.706 55.803 0.009 0.000 0.900 266 Q CB 0.740 29.518 28.738 0.066 0.000 1.266 266 Q HN 0.243 nan 8.270 nan 0.000 0.430 267 V N 2.641 122.561 119.914 0.010 0.000 2.472 267 V HA 0.072 4.194 4.120 0.003 0.000 0.290 267 V C -0.179 175.922 176.094 0.012 0.000 1.037 267 V CA -0.464 61.838 62.300 0.003 0.000 0.908 267 V CB 1.527 33.351 31.823 0.001 0.000 0.985 267 V HN 0.908 nan 8.190 nan 0.000 0.454 268 D N 1.934 122.340 120.400 0.010 0.000 2.705 268 D HA -0.238 4.404 4.640 0.003 0.000 0.240 268 D C -0.286 176.023 176.300 0.015 0.000 1.137 268 D CA 0.519 54.526 54.000 0.012 0.000 0.677 268 D CB -0.701 40.098 40.800 -0.002 0.000 1.049 268 D HN 0.683 nan 8.370 nan 0.000 0.427 269 Y N 0.310 120.560 120.300 -0.084 0.000 2.610 269 Y HA 0.214 4.760 4.550 -0.007 0.000 0.332 269 Y C -0.077 175.781 175.900 -0.071 0.000 1.201 269 Y CA -0.068 57.976 58.100 -0.093 0.000 1.465 269 Y CB 0.718 39.090 38.460 -0.146 0.000 1.283 269 Y HN -0.026 nan 8.280 nan 0.000 0.563 270 V N 9.101 128.426 119.914 -0.981 0.000 2.394 270 V HA 0.298 4.420 4.120 0.003 0.000 0.282 270 V C -2.082 173.392 176.094 -1.033 0.000 1.031 270 V CA -2.235 59.622 62.300 -0.738 0.000 0.881 270 V CB 1.155 32.739 31.823 -0.399 0.000 0.982 270 V HN 0.762 nan 8.190 nan 0.000 0.451 271 P HA 0.127 nan 4.420 nan 0.000 0.264 271 P C 1.026 178.012 177.300 -0.523 0.000 1.179 271 P CA 1.577 64.349 63.100 -0.547 0.000 0.763 271 P CB 0.497 31.552 31.700 -1.075 0.000 0.806 272 G N 1.072 109.776 108.800 -0.160 0.000 2.179 272 G HA2 -0.232 3.730 3.960 0.003 0.000 0.260 272 G HA3 -0.232 3.730 3.960 0.003 0.000 0.260 272 G C 0.398 175.264 174.900 -0.057 0.000 0.977 272 G CA 0.555 45.618 45.100 -0.061 0.000 0.641 272 G HN 0.834 nan 8.290 nan 0.000 0.533 273 T N -1.303 113.169 114.554 -0.137 0.000 2.912 273 T HA 0.687 5.039 4.350 0.003 0.000 0.280 273 T C -2.474 172.261 174.700 0.059 0.000 0.989 273 T CA -1.514 60.532 62.100 -0.089 0.000 0.995 273 T CB 2.170 70.906 68.868 -0.219 0.000 1.077 273 T HN 0.041 nan 8.240 nan 0.000 0.531 274 P HA 0.331 nan 4.420 nan 0.000 0.271 274 P C -0.942 176.467 177.300 0.181 0.000 1.216 274 P CA -0.515 62.641 63.100 0.093 0.000 0.776 274 P CB 0.277 32.004 31.700 0.045 0.000 0.881 275 c N 4.860 123.530 118.600 0.117 0.000 2.316 275 c HA 0.382 4.953 4.570 0.003 0.000 0.324 275 c C -0.115 173.974 174.090 -0.001 0.000 1.226 275 c CA -0.754 55.586 56.329 0.017 0.000 1.450 275 c CB -0.579 41.863 42.510 -0.115 0.000 2.123 275 c HN 0.532 nan 8.230 nan 0.000 0.454 276 K N 8.018 128.378 120.400 -0.066 0.000 2.264 276 K HA 0.430 4.752 4.320 0.003 0.000 0.277 276 K C -2.151 174.327 176.600 -0.203 0.000 1.067 276 K CA -1.292 54.938 56.287 -0.096 0.000 0.900 276 K CB 1.165 33.649 32.500 -0.027 0.000 1.124 276 K HN 0.566 nan 8.250 nan 0.000 0.469 277 P HA 0.019 nan 4.420 nan 0.000 0.272 277 P C -0.673 176.613 177.300 -0.024 0.000 1.240 277 P CA -0.302 62.559 63.100 -0.399 0.000 0.791 277 P CB 0.691 31.922 31.700 -0.782 0.000 0.978 278 D N 0.044 120.437 120.400 -0.012 0.000 2.304 278 D HA 0.161 4.803 4.640 0.003 0.000 0.247 278 D C -0.571 175.827 176.300 0.162 0.000 1.089 278 D CA 0.200 54.250 54.000 0.083 0.000 0.910 278 D CB 0.484 41.347 40.800 0.105 0.000 1.199 278 D HN 0.238 nan 8.370 nan 0.000 0.426 279 Q N 1.959 121.757 119.800 -0.003 0.000 2.275 279 Q HA 0.263 4.605 4.340 0.003 0.000 0.266 279 Q C -1.499 174.387 176.000 -0.189 0.000 1.002 279 Q CA -0.812 54.820 55.803 -0.285 0.000 0.761 279 Q CB 1.089 29.321 28.738 -0.844 0.000 1.255 279 Q HN 0.279 nan 8.270 nan 0.000 0.446 280 Q N 2.832 122.544 119.800 -0.148 0.000 2.327 280 Q HA 0.241 4.583 4.340 0.003 0.000 0.270 280 Q C -0.781 175.152 176.000 -0.111 0.000 1.022 280 Q CA -0.418 55.328 55.803 -0.096 0.000 0.773 280 Q CB 1.601 30.313 28.738 -0.043 0.000 1.251 280 Q HN 0.861 nan 8.270 nan 0.000 0.457 281 N N 1.687 120.323 118.700 -0.107 0.000 2.738 281 N HA -0.238 4.504 4.740 0.003 0.000 0.249 281 N C 0.549 175.982 175.510 -0.128 0.000 1.047 281 N CA 1.800 54.794 53.050 -0.094 0.000 0.707 281 N CB -1.064 37.386 38.487 -0.060 0.000 0.937 281 N HN 1.043 nan 8.380 nan 0.000 0.545 282 G N -1.265 107.418 108.800 -0.195 0.000 2.168 282 G HA2 -0.294 3.668 3.960 0.003 0.000 0.263 282 G HA3 -0.294 3.668 3.960 0.003 0.000 0.263 282 G C 0.161 174.884 174.900 -0.295 0.000 0.977 282 G CA 0.608 45.563 45.100 -0.243 0.000 0.659 282 G HN 0.631 nan 8.290 nan 0.000 0.533 283 I N -0.383 120.025 120.570 -0.270 0.000 2.406 283 I HA 0.430 4.602 4.170 0.003 0.000 0.290 283 I C 0.289 176.283 176.117 -0.206 0.000 0.999 283 I CA -1.177 60.006 61.300 -0.194 0.000 1.124 283 I CB 0.937 38.893 38.000 -0.074 0.000 1.289 283 I HN 0.103 nan 8.210 nan 0.000 0.441 284 W N 6.787 128.105 121.300 0.030 0.000 2.190 284 W HA 0.451 5.109 4.660 -0.004 0.000 0.330 284 W C -0.165 176.344 176.519 -0.016 0.000 1.299 284 W CA -0.194 57.160 57.345 0.015 0.000 1.215 284 W CB 0.523 30.034 29.460 0.086 0.000 1.147 284 W HN 0.213 nan 8.180 nan 0.000 0.563 285 I N 4.779 125.479 120.570 0.217 0.000 2.447 285 I HA 0.411 4.583 4.170 0.003 0.000 0.287 285 I C -0.285 175.830 176.117 -0.004 0.000 1.023 285 I CA -1.213 60.150 61.300 0.105 0.000 1.083 285 I CB 0.958 39.043 38.000 0.141 0.000 1.245 285 I HN 0.157 nan 8.210 nan 0.000 0.434 286 V N 2.797 122.670 119.914 -0.068 0.000 3.102 286 V HA 0.767 4.888 4.120 0.003 0.000 0.312 286 V C -0.982 175.077 176.094 -0.058 0.000 1.135 286 V CA -0.540 61.670 62.300 -0.150 0.000 1.022 286 V CB 2.026 33.701 31.823 -0.246 0.000 1.056 286 V HN 0.910 nan 8.190 nan 0.000 0.436 287 Q N 1.314 121.151 119.800 0.062 0.000 2.403 287 Q HA 0.692 5.034 4.340 0.003 0.000 0.267 287 Q C -1.014 175.090 176.000 0.173 0.000 0.991 287 Q CA -0.084 55.803 55.803 0.141 0.000 0.906 287 Q CB 2.121 30.873 28.738 0.023 0.000 1.422 287 Q HN 1.455 nan 8.270 nan 0.000 0.400 288 A N 3.570 126.516 122.820 0.210 0.000 3.003 288 A HA 0.271 4.592 4.320 0.003 0.000 0.301 288 A C 0.414 178.127 177.584 0.215 0.000 1.280 288 A CA 0.750 52.832 52.037 0.075 0.000 0.973 288 A CB -0.766 18.181 19.000 -0.088 0.000 1.110 288 A HN 1.141 nan 8.150 nan 0.000 0.590 289 H N 0.262 119.349 119.070 0.028 0.000 1.456 289 H HA -0.312 4.247 4.556 0.006 0.000 0.090 289 H C 0.412 175.730 175.328 -0.016 0.000 0.600 289 H CA 2.165 58.227 56.048 0.024 0.000 1.901 289 H CB -0.800 29.043 29.762 0.135 0.000 2.256 289 H HN 0.743 nan 8.280 nan 0.000 0.961 290 E N -1.322 118.813 120.200 -0.109 0.000 2.421 290 E HA 0.043 4.395 4.350 0.003 0.000 0.278 290 E C -0.939 175.489 176.600 -0.286 0.000 1.141 290 E CA -0.104 56.139 56.400 -0.261 0.000 0.880 290 E CB 0.018 29.316 29.700 -0.670 0.000 1.381 290 E HN 0.448 nan 8.360 nan 0.000 0.436 291 W N 0.217 121.320 121.300 -0.329 0.000 5.400 291 W HA -0.192 4.472 4.660 0.007 0.000 0.357 291 W C 1.112 177.282 176.519 -0.581 0.000 1.291 291 W CA 2.296 59.244 57.345 -0.663 0.000 0.911 291 W CB -2.345 26.288 29.460 -1.379 0.000 2.382 291 W HN 1.592 nan 8.180 nan 0.000 1.557 292 G N -1.163 107.636 108.800 -0.002 0.000 2.179 292 G HA2 -0.429 3.533 3.960 0.003 0.000 0.257 292 G HA3 -0.429 3.533 3.960 0.003 0.000 0.257 292 G C 1.347 176.224 174.900 -0.039 0.000 1.010 292 G CA 0.766 45.895 45.100 0.049 0.000 0.736 292 G HN 0.440 nan 8.290 nan 0.000 0.513 293 K N -1.575 118.718 120.400 -0.178 0.000 2.148 293 K HA 0.105 4.427 4.320 0.003 0.000 0.204 293 K C 0.469 176.809 176.600 -0.434 0.000 1.050 293 K CA 1.147 57.260 56.287 -0.290 0.000 0.942 293 K CB 0.059 32.258 32.500 -0.502 0.000 0.724 293 K HN 0.597 nan 8.250 nan 0.000 0.446 294 Y N -1.722 118.576 120.300 -0.003 0.000 2.615 294 Y HA 0.387 4.941 4.550 0.006 0.000 0.341 294 Y C -0.700 175.146 175.900 -0.091 0.000 1.089 294 Y CA -1.338 56.738 58.100 -0.039 0.000 1.049 294 Y CB 1.682 40.108 38.460 -0.057 0.000 1.296 294 Y HN -0.463 nan 8.280 nan 0.000 0.470 295 V N 1.749 121.689 119.914 0.043 0.000 2.376 295 V HA 0.599 4.721 4.120 0.003 0.000 0.287 295 V C 0.206 176.152 176.094 -0.246 0.000 1.015 295 V CA -0.819 61.414 62.300 -0.112 0.000 0.834 295 V CB 1.270 33.037 31.823 -0.095 0.000 1.001 295 V HN 0.938 nan 8.190 nan 0.000 0.428 296 G N 3.804 112.271 108.800 -0.556 0.000 2.467 296 G HA2 0.511 4.473 3.960 0.003 0.000 0.257 296 G HA3 0.511 4.473 3.960 0.003 0.000 0.257 296 G C -0.315 174.342 174.900 -0.404 0.000 1.227 296 G CA -0.364 44.338 45.100 -0.664 0.000 0.835 296 G HN 0.686 nan 8.290 nan 0.000 0.556 297 R N 1.134 121.338 120.500 -0.494 0.000 2.451 297 R HA 0.569 4.911 4.340 0.003 0.000 0.307 297 R C -0.741 175.243 176.300 -0.527 0.000 0.965 297 R CA -0.613 55.260 56.100 -0.378 0.000 0.865 297 R CB 1.305 31.415 30.300 -0.316 0.000 1.174 297 R HN 0.606 nan 8.270 nan 0.000 0.455 298 A N 4.287 126.955 122.820 -0.254 0.000 2.273 298 A HA 0.355 4.677 4.320 0.003 0.000 0.315 298 A C -1.138 176.213 177.584 -0.388 0.000 1.256 298 A CA -0.775 51.063 52.037 -0.331 0.000 0.851 298 A CB 0.869 19.742 19.000 -0.211 0.000 1.172 298 A HN 0.732 nan 8.150 nan 0.000 0.508 299 D N 2.448 122.584 120.400 -0.441 0.000 2.329 299 D HA 0.488 5.130 4.640 0.003 0.000 0.232 299 D C -0.929 175.168 176.300 -0.338 0.000 1.088 299 D CA 0.573 54.410 54.000 -0.272 0.000 0.835 299 D CB 0.889 41.580 40.800 -0.183 0.000 1.078 299 D HN 0.316 nan 8.370 nan 0.000 0.495 300 F N 0.897 120.839 119.950 -0.014 0.000 2.523 300 F HA 0.327 4.858 4.527 0.006 0.000 0.329 300 F C 0.963 176.800 175.800 0.061 0.000 1.061 300 F CA -0.691 57.323 58.000 0.023 0.000 0.967 300 F CB 1.670 40.696 39.000 0.043 0.000 1.218 300 F HN 0.007 nan 8.300 nan 0.000 0.480 301 E N 1.732 122.125 120.200 0.322 0.000 2.234 301 E HA 0.291 4.643 4.350 0.003 0.000 0.266 301 E C -1.800 174.966 176.600 0.277 0.000 0.877 301 E CA -0.712 55.829 56.400 0.235 0.000 0.758 301 E CB 2.952 32.734 29.700 0.136 0.000 1.170 301 E HN 0.408 nan 8.360 nan 0.000 0.415 302 F N 3.076 123.089 119.950 0.105 0.000 2.477 302 F HA 0.487 5.015 4.527 0.002 0.000 0.335 302 F C -0.694 175.135 175.800 0.048 0.000 1.130 302 F CA -0.605 57.413 58.000 0.031 0.000 0.948 302 F CB 1.139 40.118 39.000 -0.036 0.000 1.154 302 F HN 0.324 nan 8.300 nan 0.000 0.439 303 R N 4.874 125.027 120.500 -0.579 0.000 2.522 303 R HA 0.296 4.638 4.340 0.003 0.000 0.283 303 R C -0.801 175.101 176.300 -0.664 0.000 1.074 303 R CA -0.534 55.295 56.100 -0.452 0.000 0.925 303 R CB 0.866 31.062 30.300 -0.172 0.000 1.205 303 R HN 0.759 nan 8.270 nan 0.000 0.436 304 N N 2.875 121.166 118.700 -0.682 0.000 2.699 304 N HA -0.225 4.517 4.740 0.003 0.000 0.256 304 N C 0.652 175.823 175.510 -0.564 0.000 0.993 304 N CA 1.840 54.598 53.050 -0.486 0.000 0.759 304 N CB -0.924 37.490 38.487 -0.121 0.000 0.906 304 N HN 1.092 nan 8.380 nan 0.000 0.541 305 G N -0.747 107.357 108.800 -1.159 0.000 2.257 305 G HA2 -0.373 3.589 3.960 0.003 0.000 0.267 305 G HA3 -0.373 3.589 3.960 0.003 0.000 0.267 305 G C -0.074 174.564 174.900 -0.436 0.000 0.984 305 G CA 0.926 45.666 45.100 -0.600 0.000 0.626 305 G HN 0.820 nan 8.290 nan 0.000 0.540 306 E N -0.137 119.781 120.200 -0.471 0.000 2.227 306 E HA 0.645 4.997 4.350 0.003 0.000 0.282 306 E C -0.199 176.296 176.600 -0.174 0.000 1.015 306 E CA -0.938 55.336 56.400 -0.210 0.000 0.823 306 E CB 1.401 31.022 29.700 -0.131 0.000 1.081 306 E HN 0.227 nan 8.360 nan 0.000 0.396 307 M N 3.290 122.913 119.600 0.039 0.000 2.180 307 M HA 0.277 4.759 4.480 0.003 0.000 0.350 307 M C -1.164 175.287 176.300 0.252 0.000 1.125 307 M CA -0.136 55.274 55.300 0.183 0.000 1.031 307 M CB 1.121 33.812 32.600 0.151 0.000 1.623 307 M HN 0.432 nan 8.290 nan 0.000 0.451 308 K N 4.917 125.500 120.400 0.305 0.000 2.425 308 K HA 0.365 4.687 4.320 0.003 0.000 0.259 308 K C -1.087 175.729 176.600 0.361 0.000 0.978 308 K CA -0.607 55.864 56.287 0.307 0.000 0.883 308 K CB 1.508 34.108 32.500 0.166 0.000 1.110 308 K HN 0.753 nan 8.250 nan 0.000 0.436 309 M N 5.229 125.014 119.600 0.308 0.000 2.685 309 M HA -0.008 4.474 4.480 0.003 0.000 0.316 309 M C 0.570 176.773 176.300 -0.161 0.000 1.523 309 M CA 0.054 55.227 55.300 -0.212 0.000 1.472 309 M CB 0.315 32.551 32.600 -0.607 0.000 1.525 309 M HN 0.496 nan 8.290 nan 0.000 0.471 310 V N 1.852 121.692 119.914 -0.122 0.000 3.041 310 V HA 0.266 4.388 4.120 0.003 0.000 0.260 310 V C 0.437 176.459 176.094 -0.120 0.000 1.105 310 V CA 0.766 63.020 62.300 -0.077 0.000 1.125 310 V CB -1.253 30.552 31.823 -0.031 0.000 0.730 310 V HN 0.892 nan 8.190 nan 0.000 0.479 311 N N -1.328 117.252 118.700 -0.200 0.000 2.636 311 N HA 0.505 5.247 4.740 0.003 0.000 0.261 311 N C -1.947 173.421 175.510 -0.236 0.000 1.195 311 N CA -0.580 52.360 53.050 -0.183 0.000 0.902 311 N CB 2.266 40.662 38.487 -0.152 0.000 1.627 311 N HN 0.273 nan 8.380 nan 0.000 0.491 312 Y N 1.680 121.806 120.300 -0.291 0.000 2.479 312 Y HA 0.471 5.019 4.550 -0.002 0.000 0.338 312 Y C -1.485 174.291 175.900 -0.208 0.000 1.055 312 Y CA -0.264 57.652 58.100 -0.306 0.000 1.023 312 Y CB 1.265 39.483 38.460 -0.404 0.000 1.287 312 Y HN 0.683 nan 8.280 nan 0.000 0.447 313 Q N 4.858 124.020 119.800 -1.064 0.000 2.630 313 Q HA 0.605 4.947 4.340 0.003 0.000 0.295 313 Q C -2.420 173.182 176.000 -0.664 0.000 0.944 313 Q CA -1.209 54.265 55.803 -0.549 0.000 0.766 313 Q CB 2.400 30.961 28.738 -0.294 0.000 1.471 313 Q HN 0.736 nan 8.270 nan 0.000 0.416 314 L N 2.121 123.157 121.223 -0.312 0.000 2.343 314 L HA 0.541 4.883 4.340 0.003 0.000 0.278 314 L C -0.802 176.013 176.870 -0.093 0.000 0.996 314 L CA -0.813 53.848 54.840 -0.298 0.000 0.831 314 L CB 1.578 43.313 42.059 -0.539 0.000 1.232 314 L HN 0.580 nan 8.230 nan 0.000 0.413 315 I N 5.214 125.766 120.570 -0.030 0.000 2.312 315 I HA 0.255 4.427 4.170 0.003 0.000 0.291 315 I C -2.112 174.132 176.117 0.211 0.000 1.031 315 I CA -1.877 59.455 61.300 0.052 0.000 1.293 315 I CB 1.084 39.068 38.000 -0.026 0.000 1.403 315 I HN 0.246 nan 8.210 nan 0.000 0.484 316 P HA 0.052 nan 4.420 nan 0.000 0.271 316 P C -0.459 176.852 177.300 0.019 0.000 1.216 316 P CA -0.159 63.000 63.100 0.099 0.000 0.776 316 P CB 0.736 32.477 31.700 0.069 0.000 0.881 317 V N 4.329 124.220 119.914 -0.038 0.000 2.192 317 V HA 0.169 4.291 4.120 0.003 0.000 0.264 317 V C 0.237 176.335 176.094 0.007 0.000 1.155 317 V CA -0.339 61.963 62.300 0.003 0.000 1.005 317 V CB -1.053 30.788 31.823 0.029 0.000 1.201 317 V HN 0.667 nan 8.190 nan 0.000 0.468 318 N N 1.707 120.412 118.700 0.010 0.000 2.754 318 N HA -0.159 4.583 4.740 0.003 0.000 0.248 318 N C -0.233 175.289 175.510 0.021 0.000 1.093 318 N CA 0.601 53.655 53.050 0.007 0.000 0.699 318 N CB -0.969 37.499 38.487 -0.031 0.000 1.016 318 N HN 0.570 nan 8.380 nan 0.000 0.552 319 L N 0.100 121.362 121.223 0.065 0.000 2.397 319 L HA 0.228 4.569 4.340 0.003 0.000 0.271 319 L C 0.931 177.964 176.870 0.273 0.000 1.148 319 L CA 0.281 55.198 54.840 0.129 0.000 0.825 319 L CB 0.644 42.734 42.059 0.053 0.000 1.117 319 L HN -0.046 nan 8.230 nan 0.000 0.456 320 K N 2.894 123.405 120.400 0.186 0.000 2.318 320 K HA 0.462 4.784 4.320 0.003 0.000 0.249 320 K C -0.986 175.543 176.600 -0.118 0.000 0.942 320 K CA -0.988 55.294 56.287 -0.009 0.000 0.808 320 K CB 2.595 35.061 32.500 -0.056 0.000 1.189 320 K HN 0.465 nan 8.250 nan 0.000 0.428 321 K N 1.136 121.241 120.400 -0.492 0.000 2.139 321 K HA 0.399 4.720 4.320 0.003 0.000 0.243 321 K C -0.756 175.682 176.600 -0.270 0.000 0.983 321 K CA -0.981 55.055 56.287 -0.418 0.000 0.890 321 K CB 1.370 33.440 32.500 -0.717 0.000 1.090 321 K HN 0.289 nan 8.250 nan 0.000 0.445 322 K N 1.432 121.714 120.400 -0.197 0.000 2.248 322 K HA 0.194 4.516 4.320 0.003 0.000 0.281 322 K C -0.810 175.666 176.600 -0.207 0.000 1.054 322 K CA -0.674 55.505 56.287 -0.181 0.000 0.903 322 K CB 1.720 34.138 32.500 -0.137 0.000 1.077 322 K HN 0.417 nan 8.250 nan 0.000 0.474 323 V N 3.145 122.922 119.914 -0.229 0.000 2.483 323 V HA 0.385 4.507 4.120 0.003 0.000 0.295 323 V C -0.874 175.011 176.094 -0.349 0.000 1.035 323 V CA -0.023 62.072 62.300 -0.342 0.000 0.896 323 V CB 1.782 33.356 31.823 -0.415 0.000 0.986 323 V HN 0.733 nan 8.190 nan 0.000 0.447 324 T N 7.098 121.417 114.554 -0.392 0.000 2.815 324 T HA 0.447 4.798 4.350 0.003 0.000 0.289 324 T C -0.873 173.649 174.700 -0.297 0.000 1.000 324 T CA -0.064 61.886 62.100 -0.250 0.000 0.958 324 T CB 0.576 69.370 68.868 -0.123 0.000 0.944 324 T HN 0.740 nan 8.240 nan 0.000 0.442 325 W N 2.191 123.469 121.300 -0.037 0.000 2.215 325 W HA 0.277 4.941 4.660 0.007 0.000 0.342 325 W C 1.886 178.390 176.519 -0.024 0.000 1.237 325 W CA -0.835 56.492 57.345 -0.030 0.000 1.283 325 W CB 0.541 29.983 29.460 -0.029 0.000 1.131 325 W HN 0.808 nan 8.180 nan 0.000 0.606 326 E N 0.243 120.591 120.200 0.246 0.000 2.187 326 E HA -0.341 4.011 4.350 0.003 0.000 0.199 326 E C 1.116 177.778 176.600 0.104 0.000 1.004 326 E CA 1.865 58.341 56.400 0.127 0.000 0.813 326 E CB -0.448 29.317 29.700 0.108 0.000 0.736 326 E HN 0.577 nan 8.360 nan 0.000 0.468 327 D N 0.104 120.577 120.400 0.123 0.000 2.338 327 D HA 0.022 4.664 4.640 0.003 0.000 0.239 327 D C 1.333 177.679 176.300 0.076 0.000 1.095 327 D CA 0.723 54.767 54.000 0.073 0.000 0.888 327 D CB 0.041 40.867 40.800 0.045 0.000 0.899 327 D HN 0.435 nan 8.370 nan 0.000 0.525 328 G N 0.459 109.317 108.800 0.096 0.000 2.184 328 G HA2 -0.355 3.606 3.960 0.003 0.000 0.264 328 G HA3 -0.355 3.606 3.960 0.003 0.000 0.264 328 G C 0.267 175.219 174.900 0.087 0.000 0.975 328 G CA 0.432 45.575 45.100 0.071 0.000 0.642 328 G HN 0.663 nan 8.290 nan 0.000 0.536 329 K N 0.930 121.414 120.400 0.140 0.000 2.202 329 K HA 0.557 4.879 4.320 0.003 0.000 0.264 329 K C 0.503 177.226 176.600 0.204 0.000 1.010 329 K CA 0.362 56.736 56.287 0.145 0.000 0.940 329 K CB 0.523 33.100 32.500 0.129 0.000 0.983 329 K HN 0.557 nan 8.250 nan 0.000 0.475 330 S N 1.654 117.432 115.700 0.130 0.000 2.599 330 S HA 0.527 4.999 4.470 0.003 0.000 0.287 330 S C -1.140 173.501 174.600 0.069 0.000 1.105 330 S CA -0.975 57.269 58.200 0.074 0.000 0.899 330 S CB 1.996 65.184 63.200 -0.020 0.000 1.100 330 S HN 0.697 nan 8.310 nan 0.000 0.482 331 E N 0.129 120.346 120.200 0.029 0.000 2.429 331 E HA 0.450 4.802 4.350 0.003 0.000 0.276 331 E C -1.199 175.352 176.600 -0.083 0.000 0.953 331 E CA -1.075 55.333 56.400 0.013 0.000 0.787 331 E CB 1.907 31.683 29.700 0.126 0.000 1.307 331 E HN 0.516 nan 8.360 nan 0.000 0.458 332 R N 1.057 121.496 120.500 -0.102 0.000 2.229 332 R HA 0.411 4.753 4.340 0.003 0.000 0.332 332 R C -0.985 175.247 176.300 -0.113 0.000 0.989 332 R CA -0.563 55.447 56.100 -0.149 0.000 0.842 332 R CB 1.725 31.912 30.300 -0.188 0.000 1.119 332 R HN 0.220 nan 8.270 nan 0.000 0.456 333 V N 5.840 125.656 119.914 -0.163 0.000 2.495 333 V HA 0.354 4.475 4.120 0.003 0.000 0.298 333 V C -0.065 175.903 176.094 -0.210 0.000 1.031 333 V CA -0.886 61.322 62.300 -0.153 0.000 0.871 333 V CB 1.486 33.217 31.823 -0.152 0.000 0.988 333 V HN 0.661 nan 8.190 nan 0.000 0.432 334 L N 5.876 127.028 121.223 -0.118 0.000 2.506 334 L HA 0.088 4.429 4.340 0.003 0.000 0.281 334 L C 0.534 177.352 176.870 -0.088 0.000 1.228 334 L CA 0.625 55.426 54.840 -0.065 0.000 0.850 334 L CB 0.168 42.221 42.059 -0.010 0.000 1.110 334 L HN 0.768 nan 8.230 nan 0.000 0.496 335 Y N -0.351 119.935 120.300 -0.023 0.000 2.475 335 Y HA -0.013 4.538 4.550 0.002 0.000 0.289 335 Y C 1.335 177.227 175.900 -0.014 0.000 1.121 335 Y CA 0.550 58.638 58.100 -0.020 0.000 1.257 335 Y CB 0.330 38.785 38.460 -0.008 0.000 1.026 335 Y HN 0.713 nan 8.280 nan 0.000 0.555 336 T N -3.780 110.862 114.554 0.148 0.000 2.864 336 T HA 0.464 4.816 4.350 0.003 0.000 0.299 336 T C -3.020 171.705 174.700 0.042 0.000 1.166 336 T CA -2.493 59.655 62.100 0.079 0.000 1.007 336 T CB 1.754 70.665 68.868 0.073 0.000 1.219 336 T HN -0.409 nan 8.240 nan 0.000 0.506 337 P HA 0.109 nan 4.420 nan 0.000 0.263 337 P C -0.095 177.209 177.300 0.006 0.000 1.175 337 P CA 0.088 63.193 63.100 0.009 0.000 0.761 337 P CB 0.222 31.925 31.700 0.005 0.000 0.794 338 E N 2.528 122.728 120.200 -0.001 0.000 2.452 338 E HA 0.005 4.356 4.350 0.003 0.000 0.261 338 E C -0.392 176.202 176.600 -0.010 0.000 0.987 338 E CA 0.031 56.427 56.400 -0.007 0.000 0.926 338 E CB 0.193 29.886 29.700 -0.013 0.000 0.934 338 E HN 0.331 nan 8.360 nan 0.000 0.452 339 I N 3.800 124.362 120.570 -0.015 0.000 2.321 339 I HA 0.238 4.409 4.170 0.003 0.000 0.291 339 I C 0.311 176.411 176.117 -0.028 0.000 0.998 339 I CA -0.587 60.703 61.300 -0.018 0.000 1.227 339 I CB 1.432 39.423 38.000 -0.016 0.000 1.368 339 I HN 0.519 nan 8.210 nan 0.000 0.466 340 A N 6.209 129.013 122.820 -0.026 0.000 2.425 340 A HA 0.198 4.520 4.320 0.003 0.000 0.249 340 A C 0.218 177.778 177.584 -0.041 0.000 1.084 340 A CA -0.318 51.700 52.037 -0.032 0.000 0.781 340 A CB 0.076 19.062 19.000 -0.023 0.000 1.019 340 A HN 0.731 nan 8.150 nan 0.000 0.490 341 E N 2.110 122.275 120.200 -0.058 0.000 2.299 341 E HA -0.029 4.323 4.350 0.003 0.000 0.272 341 E C -0.018 176.554 176.600 -0.048 0.000 1.043 341 E CA -0.268 56.086 56.400 -0.076 0.000 0.895 341 E CB 0.488 30.111 29.700 -0.130 0.000 1.011 341 E HN 0.672 nan 8.360 nan 0.000 0.432 342 N N 3.482 122.162 118.700 -0.033 0.000 2.440 342 N HA -0.105 4.637 4.740 0.003 0.000 0.265 342 N C 0.611 176.119 175.510 -0.004 0.000 1.239 342 N CA 0.097 53.140 53.050 -0.011 0.000 0.909 342 N CB 0.870 39.358 38.487 0.001 0.000 1.066 342 N HN 0.430 nan 8.380 nan 0.000 0.474 343 Q N 2.671 122.474 119.800 0.005 0.000 2.172 343 Q HA -0.193 4.148 4.340 0.003 0.000 0.200 343 Q C 1.621 177.642 176.000 0.036 0.000 0.964 343 Q CA 1.136 56.950 55.803 0.018 0.000 0.855 343 Q CB -0.236 28.513 28.738 0.018 0.000 0.918 343 Q HN 0.799 nan 8.270 nan 0.000 0.444 344 Q N -0.153 119.669 119.800 0.036 0.000 2.181 344 Q HA -0.185 4.157 4.340 0.003 0.000 0.205 344 Q C 1.921 177.960 176.000 0.066 0.000 0.980 344 Q CA 1.491 57.322 55.803 0.047 0.000 0.862 344 Q CB 0.010 28.773 28.738 0.043 0.000 0.905 344 Q HN 0.243 nan 8.270 nan 0.000 0.429 345 M N -0.106 119.532 119.600 0.063 0.000 2.193 345 M HA -0.049 4.433 4.480 0.003 0.000 0.265 345 M C 1.591 177.962 176.300 0.119 0.000 1.071 345 M CA 1.164 56.516 55.300 0.087 0.000 1.140 345 M CB -0.041 32.596 32.600 0.061 0.000 1.369 345 M HN 0.258 nan 8.290 nan 0.000 0.423 346 I N -0.207 120.411 120.570 0.080 0.000 2.361 346 I HA -0.210 3.961 4.170 0.003 0.000 0.251 346 I C 2.144 178.383 176.117 0.203 0.000 1.133 346 I CA 1.085 62.459 61.300 0.123 0.000 1.413 346 I CB -1.559 36.471 38.000 0.050 0.000 1.073 346 I HN 0.301 nan 8.210 nan 0.000 0.424 347 S N 0.969 116.748 115.700 0.132 0.000 2.345 347 S HA -0.141 4.331 4.470 0.003 0.000 0.220 347 S C 1.987 176.658 174.600 0.119 0.000 1.031 347 S CA 0.908 59.173 58.200 0.108 0.000 0.996 347 S CB -0.469 62.771 63.200 0.068 0.000 0.882 347 S HN 0.364 nan 8.310 nan 0.000 0.445 348 L N 1.357 122.663 121.223 0.138 0.000 2.187 348 L HA 0.045 4.387 4.340 0.003 0.000 0.213 348 L C 1.585 178.630 176.870 0.292 0.000 1.100 348 L CA 1.623 56.565 54.840 0.171 0.000 0.765 348 L CB -0.288 41.869 42.059 0.163 0.000 0.904 348 L HN 0.284 nan 8.230 nan 0.000 0.437 349 L N -2.497 118.945 121.223 0.365 0.000 2.556 349 L HA 0.109 4.451 4.340 0.003 0.000 0.226 349 L C 2.242 179.424 176.870 0.521 0.000 1.089 349 L CA 0.238 55.420 54.840 0.570 0.000 0.864 349 L CB -0.289 42.218 42.059 0.746 0.000 1.067 349 L HN 0.035 nan 8.230 nan 0.000 0.477 350 S N 0.926 116.848 115.700 0.371 0.000 2.370 350 S HA -0.098 4.374 4.470 0.003 0.000 0.226 350 S C -0.600 173.977 174.600 -0.039 0.000 1.033 350 S CA 1.502 59.798 58.200 0.161 0.000 1.011 350 S CB -0.871 62.428 63.200 0.165 0.000 0.852 350 S HN 0.274 nan 8.310 nan 0.000 0.457 351 P HA -0.031 nan 4.420 nan 0.000 0.213 351 P C 1.027 178.176 177.300 -0.251 0.000 1.170 351 P CA 0.968 63.897 63.100 -0.285 0.000 0.893 351 P CB -0.154 31.244 31.700 -0.504 0.000 0.784 352 F N -0.275 119.631 119.950 -0.074 0.000 2.120 352 F HA -0.220 4.309 4.527 0.003 0.000 0.300 352 F C 2.638 178.416 175.800 -0.036 0.000 1.095 352 F CA 1.509 59.438 58.000 -0.118 0.000 1.249 352 F CB -1.616 37.209 39.000 -0.291 0.000 0.995 352 F HN -0.041 nan 8.300 nan 0.000 0.480 353 Q N 0.671 120.587 119.800 0.194 0.000 2.119 353 Q HA -0.132 4.210 4.340 0.003 0.000 0.201 353 Q C 1.428 177.314 176.000 -0.190 0.000 0.972 353 Q CA 1.727 57.505 55.803 -0.043 0.000 0.847 353 Q CB -0.409 27.949 28.738 -0.634 0.000 0.903 353 Q HN 0.258 nan 8.270 nan 0.000 0.433 354 N N 0.252 118.850 118.700 -0.171 0.000 2.398 354 N HA -0.004 4.738 4.740 0.003 0.000 0.188 354 N C -0.465 174.992 175.510 -0.088 0.000 1.122 354 N CA 0.129 53.092 53.050 -0.146 0.000 0.866 354 N CB 0.144 38.548 38.487 -0.137 0.000 0.970 354 N HN 0.214 nan 8.380 nan 0.000 0.462 355 K N 0.705 121.069 120.400 -0.059 0.000 2.383 355 K HA 0.154 4.475 4.320 0.003 0.000 0.286 355 K C 0.774 177.363 176.600 -0.018 0.000 1.051 355 K CA 0.370 56.636 56.287 -0.034 0.000 0.974 355 K CB 0.114 32.608 32.500 -0.009 0.000 0.968 355 K HN 0.194 nan 8.250 nan 0.000 0.475 356 G N 3.868 112.659 108.800 -0.014 0.000 2.258 356 G HA2 -0.366 3.596 3.960 0.003 0.000 0.274 356 G HA3 -0.366 3.596 3.960 0.003 0.000 0.274 356 G C 0.689 175.586 174.900 -0.005 0.000 1.021 356 G CA 1.021 46.122 45.100 0.002 0.000 0.798 356 G HN 0.856 nan 8.290 nan 0.000 0.507 357 K N 0.210 120.592 120.400 -0.031 0.000 1.985 357 K HA 0.231 4.553 4.320 0.003 0.000 0.210 357 K C 2.284 178.867 176.600 -0.029 0.000 1.047 357 K CA 1.489 57.748 56.287 -0.047 0.000 0.932 357 K CB -0.340 32.112 32.500 -0.080 0.000 0.716 357 K HN 0.789 nan 8.250 nan 0.000 0.439 358 A N 0.643 123.448 122.820 -0.025 0.000 2.711 358 A HA 0.004 4.326 4.320 0.003 0.000 0.242 358 A C 1.016 178.600 177.584 -0.001 0.000 1.607 358 A CA 0.387 52.416 52.037 -0.015 0.000 1.370 358 A CB -0.283 18.707 19.000 -0.017 0.000 0.934 358 A HN 0.559 nan 8.150 nan 0.000 0.628 359 Q N -1.303 118.505 119.800 0.013 0.000 2.399 359 Q HA 0.224 4.565 4.340 0.003 0.000 0.181 359 Q C 1.278 177.323 176.000 0.075 0.000 0.699 359 Q CA 0.270 56.094 55.803 0.034 0.000 0.910 359 Q CB -0.305 28.455 28.738 0.036 0.000 1.256 359 Q HN 0.415 nan 8.270 nan 0.000 0.414 360 L N 1.177 122.445 121.223 0.074 0.000 2.191 360 L HA -0.082 4.260 4.340 0.003 0.000 0.212 360 L C 1.363 178.266 176.870 0.055 0.000 1.103 360 L CA 1.569 56.462 54.840 0.089 0.000 0.769 360 L CB -0.074 41.987 42.059 0.003 0.000 0.908 360 L HN 0.321 nan 8.230 nan 0.000 0.438 361 E N -0.936 119.277 120.200 0.022 0.000 2.447 361 E HA 0.042 4.393 4.350 0.003 0.000 0.195 361 E C 0.476 177.089 176.600 0.022 0.000 1.028 361 E CA -0.264 56.141 56.400 0.007 0.000 0.876 361 E CB 0.525 30.214 29.700 -0.018 0.000 0.885 361 E HN 0.117 nan 8.360 nan 0.000 0.500 362 V N 2.818 122.751 119.914 0.033 0.000 2.720 362 V HA -0.123 3.999 4.120 0.003 0.000 0.307 362 V C 0.477 176.590 176.094 0.031 0.000 1.071 362 V CA 0.351 62.666 62.300 0.025 0.000 1.199 362 V CB 0.267 32.102 31.823 0.021 0.000 0.900 362 V HN 0.124 nan 8.190 nan 0.000 0.494 363 K N 5.735 126.146 120.400 0.019 0.000 2.436 363 K HA 0.129 4.451 4.320 0.003 0.000 0.282 363 K C 0.484 177.095 176.600 0.017 0.000 1.044 363 K CA 0.447 56.745 56.287 0.019 0.000 1.028 363 K CB 0.099 32.607 32.500 0.012 0.000 0.919 363 K HN 0.619 nan 8.250 nan 0.000 0.474 364 I N 0.855 121.440 120.570 0.025 0.000 4.240 364 I HA 0.510 4.682 4.170 0.003 0.000 0.331 364 I C 0.600 176.726 176.117 0.016 0.000 1.381 364 I CA -0.360 60.949 61.300 0.015 0.000 1.136 364 I CB 0.613 38.627 38.000 0.023 0.000 1.137 364 I HN 0.641 nan 8.210 nan 0.000 0.411 365 G N 1.703 110.516 108.800 0.022 0.000 2.341 365 G HA2 0.402 4.363 3.960 0.003 0.000 0.293 365 G HA3 0.402 4.363 3.960 0.003 0.000 0.293 365 G C -2.016 172.902 174.900 0.030 0.000 1.298 365 G CA -0.369 44.745 45.100 0.023 0.000 0.868 365 G HN 0.502 nan 8.290 nan 0.000 0.540 366 E N -1.726 118.495 120.200 0.035 0.000 2.375 366 E HA 0.633 4.985 4.350 0.003 0.000 0.280 366 E C -1.161 175.471 176.600 0.053 0.000 0.972 366 E CA -0.911 55.513 56.400 0.039 0.000 0.782 366 E CB 2.178 31.897 29.700 0.032 0.000 1.229 366 E HN 0.664 nan 8.360 nan 0.000 0.439 367 T N 0.304 114.892 114.554 0.056 0.000 2.887 367 T HA 0.249 4.601 4.350 0.003 0.000 0.288 367 T C 0.395 175.134 174.700 0.065 0.000 1.021 367 T CA -0.337 61.807 62.100 0.074 0.000 1.000 367 T CB 1.038 69.952 68.868 0.077 0.000 1.034 367 T HN 0.633 nan 8.240 nan 0.000 0.467 368 N N 2.698 121.442 118.700 0.073 0.000 2.331 368 N HA 0.196 4.938 4.740 0.003 0.000 0.180 368 N C 0.761 176.307 175.510 0.060 0.000 1.019 368 N CA 0.654 53.740 53.050 0.060 0.000 0.881 368 N CB -0.071 38.451 38.487 0.058 0.000 0.972 368 N HN 0.694 nan 8.380 nan 0.000 0.435 369 G N -1.069 107.774 108.800 0.071 0.000 2.730 369 G HA2 0.450 4.412 3.960 0.003 0.000 0.289 369 G HA3 0.450 4.412 3.960 0.003 0.000 0.289 369 G C -1.471 173.469 174.900 0.066 0.000 1.341 369 G CA -1.020 44.120 45.100 0.067 0.000 0.932 369 G HN 0.178 nan 8.290 nan 0.000 0.481 370 R N 0.375 120.912 120.500 0.061 0.000 2.298 370 R HA 0.240 4.581 4.340 0.003 0.000 0.310 370 R C -0.491 175.845 176.300 0.060 0.000 1.068 370 R CA -0.351 55.782 56.100 0.056 0.000 0.957 370 R CB 0.214 30.545 30.300 0.052 0.000 1.003 370 R HN 0.359 nan 8.270 nan 0.000 0.454 371 L N 4.303 125.557 121.223 0.051 0.000 2.342 371 L HA 0.119 4.461 4.340 0.003 0.000 0.285 371 L C 0.405 177.304 176.870 0.049 0.000 1.095 371 L CA -0.245 54.622 54.840 0.045 0.000 0.843 371 L CB 0.700 42.770 42.059 0.018 0.000 1.201 371 L HN 0.508 nan 8.230 nan 0.000 0.445 372 E N 2.570 122.807 120.200 0.062 0.000 2.271 372 E HA 0.088 4.440 4.350 0.003 0.000 0.255 372 E C 0.875 177.519 176.600 0.072 0.000 1.177 372 E CA 0.273 56.715 56.400 0.068 0.000 0.946 372 E CB 0.561 30.308 29.700 0.079 0.000 1.009 372 E HN 0.613 nan 8.360 nan 0.000 0.451 373 G N 3.942 112.783 108.800 0.068 0.000 3.839 373 G HA2 0.035 3.997 3.960 0.003 0.000 0.286 373 G HA3 0.035 3.997 3.960 0.003 0.000 0.286 373 G C -0.477 174.474 174.900 0.085 0.000 1.005 373 G CA -0.509 44.635 45.100 0.073 0.000 0.824 373 G HN 0.404 nan 8.290 nan 0.000 0.489 374 D N 0.471 120.923 120.400 0.086 0.000 2.424 374 D HA 0.090 4.731 4.640 0.003 0.000 0.244 374 D C 1.465 177.836 176.300 0.118 0.000 1.134 374 D CA -0.252 53.804 54.000 0.093 0.000 0.881 374 D CB 1.616 42.460 40.800 0.074 0.000 1.191 374 D HN 0.128 nan 8.370 nan 0.000 0.445 375 R N 1.768 122.347 120.500 0.130 0.000 2.117 375 R HA -0.231 4.111 4.340 0.003 0.000 0.243 375 R C 1.232 177.683 176.300 0.252 0.000 1.143 375 R CA 1.749 57.953 56.100 0.173 0.000 0.968 375 R CB -0.005 30.392 30.300 0.162 0.000 0.863 375 R HN 0.427 nan 8.270 nan 0.000 0.444 376 D N -0.332 120.160 120.400 0.154 0.000 2.309 376 D HA -0.131 4.511 4.640 0.003 0.000 0.212 376 D C 1.015 177.343 176.300 0.047 0.000 0.968 376 D CA 1.255 55.263 54.000 0.013 0.000 0.882 376 D CB 0.287 41.022 40.800 -0.109 0.000 0.918 376 D HN 0.165 nan 8.370 nan 0.000 0.503 377 K N -0.333 120.153 120.400 0.144 0.000 2.183 377 K HA 0.132 4.454 4.320 0.003 0.000 0.218 377 K C 2.072 178.800 176.600 0.214 0.000 1.025 377 K CA 1.032 57.407 56.287 0.148 0.000 0.944 377 K CB -1.062 31.500 32.500 0.103 0.000 0.936 377 K HN 0.032 nan 8.250 nan 0.000 0.460 378 V N 0.302 120.330 119.914 0.190 0.000 2.909 378 V HA -0.184 3.938 4.120 0.003 0.000 0.265 378 V C 1.697 177.918 176.094 0.211 0.000 1.128 378 V CA 1.857 64.279 62.300 0.205 0.000 1.149 378 V CB -0.464 31.459 31.823 0.167 0.000 0.725 378 V HN 0.181 nan 8.190 nan 0.000 0.511 379 R N -1.587 119.011 120.500 0.162 0.000 2.334 379 R HA 0.396 4.738 4.340 0.003 0.000 0.212 379 R C 1.099 176.984 176.300 -0.693 0.000 0.897 379 R CA 0.673 56.713 56.100 -0.100 0.000 1.056 379 R CB 0.071 30.335 30.300 -0.060 0.000 1.046 379 R HN 0.596 nan 8.270 nan 0.000 0.513 380 F N -2.005 117.673 119.950 -0.454 0.000 2.815 380 F HA 0.286 4.815 4.527 0.003 0.000 0.328 380 F C 0.210 175.558 175.800 -0.754 0.000 0.982 380 F CA -0.274 57.329 58.000 -0.662 0.000 1.154 380 F CB 0.716 39.544 39.000 -0.287 0.000 0.980 380 F HN -0.187 nan 8.300 nan 0.000 0.603 381 V N -2.569 117.255 119.914 -0.151 0.000 3.206 381 V HA 0.554 4.676 4.120 0.003 0.000 0.305 381 V C -0.787 175.517 176.094 0.350 0.000 1.257 381 V CA -1.234 61.150 62.300 0.140 0.000 1.057 381 V CB 1.485 33.394 31.823 0.145 0.000 1.075 381 V HN -0.139 nan 8.190 nan 0.000 0.443 382 Q N 1.824 121.863 119.800 0.398 0.000 2.392 382 Q HA 0.550 4.892 4.340 0.003 0.000 0.262 382 Q C 0.236 176.375 176.000 0.230 0.000 1.003 382 Q CA 0.624 56.628 55.803 0.336 0.000 0.888 382 Q CB 1.185 30.098 28.738 0.292 0.000 1.260 382 Q HN 1.202 nan 8.270 nan 0.000 0.435 383 T N -2.114 112.559 114.554 0.200 0.000 2.868 383 T HA 0.260 4.611 4.350 0.003 0.000 0.306 383 T C 0.824 175.607 174.700 0.139 0.000 1.224 383 T CA -0.789 61.403 62.100 0.154 0.000 1.012 383 T CB 0.779 69.730 68.868 0.140 0.000 1.221 383 T HN 0.531 nan 8.240 nan 0.000 0.499 384 N N 0.996 119.772 118.700 0.127 0.000 2.364 384 N HA -0.127 4.615 4.740 0.003 0.000 0.183 384 N C 1.423 176.974 175.510 0.069 0.000 1.022 384 N CA 1.058 54.189 53.050 0.134 0.000 0.883 384 N CB -0.618 37.958 38.487 0.149 0.000 0.965 384 N HN 0.599 nan 8.380 nan 0.000 0.438 385 M N 1.005 120.638 119.600 0.055 0.000 2.200 385 M HA 0.206 4.688 4.480 0.003 0.000 0.265 385 M C 1.982 178.288 176.300 0.010 0.000 1.066 385 M CA 1.349 56.656 55.300 0.012 0.000 1.127 385 M CB -0.853 31.768 32.600 0.034 0.000 1.379 385 M HN 0.163 nan 8.290 nan 0.000 0.420 386 G N 0.153 108.989 108.800 0.061 0.000 2.422 386 G HA2 -0.188 3.774 3.960 0.003 0.000 0.218 386 G HA3 -0.188 3.774 3.960 0.003 0.000 0.218 386 G C 1.644 176.577 174.900 0.055 0.000 1.146 386 G CA 0.578 45.718 45.100 0.066 0.000 0.769 386 G HN 0.335 nan 8.290 nan 0.000 0.547 387 R N -0.104 120.445 120.500 0.082 0.000 2.073 387 R HA 0.156 4.498 4.340 0.003 0.000 0.229 387 R C 2.517 178.832 176.300 0.026 0.000 1.120 387 R CA 0.435 56.608 56.100 0.123 0.000 0.967 387 R CB -1.279 29.161 30.300 0.233 0.000 0.862 387 R HN 0.445 nan 8.270 nan 0.000 0.436 388 L N 0.762 121.875 121.223 -0.183 0.000 2.046 388 L HA -0.144 4.198 4.340 0.003 0.000 0.208 388 L C 2.194 178.855 176.870 -0.348 0.000 1.077 388 L CA 1.383 55.907 54.840 -0.526 0.000 0.747 388 L CB -0.207 41.508 42.059 -0.573 0.000 0.896 388 L HN 0.080 nan 8.230 nan 0.000 0.432 389 I N -0.624 119.831 120.570 -0.191 0.000 2.113 389 I HA -0.325 3.846 4.170 0.003 0.000 0.238 389 I C 2.283 178.311 176.117 -0.149 0.000 1.070 389 I CA 0.974 62.186 61.300 -0.146 0.000 1.332 389 I CB -0.386 37.580 38.000 -0.057 0.000 1.044 389 I HN 0.252 nan 8.210 nan 0.000 0.402 390 L N 0.877 122.056 121.223 -0.075 0.000 2.349 390 L HA -0.153 4.189 4.340 0.003 0.000 0.220 390 L C 2.535 179.368 176.870 -0.062 0.000 1.130 390 L CA 1.726 56.546 54.840 -0.034 0.000 0.791 390 L CB -1.387 40.693 42.059 0.036 0.000 0.918 390 L HN 0.217 nan 8.230 nan 0.000 0.444 391 A N -0.987 121.748 122.820 -0.142 0.000 1.898 391 A HA 0.019 4.341 4.320 0.003 0.000 0.214 391 A C 2.512 179.808 177.584 -0.480 0.000 1.183 391 A CA 1.231 53.169 52.037 -0.165 0.000 0.622 391 A CB -0.691 18.307 19.000 -0.003 0.000 0.824 391 A HN 0.341 nan 8.150 nan 0.000 0.444 392 A N -0.480 121.795 122.820 -0.909 0.000 1.883 392 A HA -0.245 4.076 4.320 0.003 0.000 0.217 392 A C 2.154 179.619 177.584 -0.198 0.000 1.186 392 A CA 1.857 53.405 52.037 -0.815 0.000 0.624 392 A CB -0.635 18.043 19.000 -0.537 0.000 0.822 392 A HN 0.642 nan 8.150 nan 0.000 0.444 393 Q N -1.540 118.182 119.800 -0.130 0.000 1.993 393 Q HA -0.180 4.162 4.340 0.003 0.000 0.202 393 Q C 2.245 178.254 176.000 0.015 0.000 0.984 393 Q CA 1.741 57.537 55.803 -0.013 0.000 0.837 393 Q CB -0.265 28.473 28.738 0.001 0.000 0.902 393 Q HN 0.720 nan 8.270 nan 0.000 0.423 394 M N 0.769 120.372 119.600 0.004 0.000 2.113 394 M HA -0.307 4.175 4.480 0.003 0.000 0.255 394 M C 1.570 177.901 176.300 0.051 0.000 1.073 394 M CA 2.260 57.582 55.300 0.036 0.000 1.091 394 M CB -0.183 32.453 32.600 0.060 0.000 1.309 394 M HN 0.169 nan 8.290 nan 0.000 0.407 395 D N -0.812 119.635 120.400 0.079 0.000 2.104 395 D HA -0.235 4.406 4.640 0.003 0.000 0.194 395 D C 1.949 178.300 176.300 0.085 0.000 0.994 395 D CA 1.660 55.738 54.000 0.130 0.000 0.830 395 D CB -0.105 40.870 40.800 0.293 0.000 0.959 395 D HN 0.200 nan 8.370 nan 0.000 0.452 396 R N -0.305 120.243 120.500 0.080 0.000 2.091 396 R HA -0.079 4.263 4.340 0.003 0.000 0.238 396 R C 2.094 178.433 176.300 0.066 0.000 1.136 396 R CA 2.310 58.449 56.100 0.065 0.000 0.959 396 R CB -1.121 29.223 30.300 0.074 0.000 0.856 396 R HN 0.378 nan 8.270 nan 0.000 0.437 397 T N -3.705 110.871 114.554 0.038 0.000 3.107 397 T HA 0.219 4.571 4.350 0.003 0.000 0.249 397 T C 1.271 175.827 174.700 -0.240 0.000 1.096 397 T CA 0.357 62.400 62.100 -0.095 0.000 1.012 397 T CB 0.051 68.895 68.868 -0.039 0.000 0.977 397 T HN 0.416 nan 8.240 nan 0.000 0.527 398 G N 1.547 110.291 108.800 -0.094 0.000 2.179 398 G HA2 -0.093 3.868 3.960 0.003 0.000 0.257 398 G HA3 -0.093 3.868 3.960 0.003 0.000 0.257 398 G C 0.424 175.281 174.900 -0.071 0.000 1.010 398 G CA 0.114 45.167 45.100 -0.078 0.000 0.736 398 G HN 1.182 nan 8.290 nan 0.000 0.513 399 A N -0.745 122.043 122.820 -0.053 0.000 2.455 399 A HA 0.503 4.824 4.320 0.003 0.000 0.244 399 A C 1.258 178.912 177.584 0.117 0.000 1.099 399 A CA 0.996 53.043 52.037 0.016 0.000 0.786 399 A CB 0.326 19.337 19.000 0.019 0.000 1.051 399 A HN 0.234 nan 8.150 nan 0.000 0.508 400 D N -1.660 118.891 120.400 0.252 0.000 2.422 400 D HA 0.239 4.881 4.640 0.003 0.000 0.218 400 D C -0.240 176.346 176.300 0.476 0.000 1.047 400 D CA 1.134 55.340 54.000 0.343 0.000 0.885 400 D CB 0.355 41.399 40.800 0.407 0.000 1.035 400 D HN 0.480 nan 8.370 nan 0.000 0.502 401 F N -0.214 119.825 119.950 0.148 0.000 2.713 401 F HA 0.752 5.281 4.527 0.003 0.000 0.311 401 F C -1.552 174.350 175.800 0.170 0.000 1.141 401 F CA -1.914 56.184 58.000 0.162 0.000 0.939 401 F CB 1.022 40.127 39.000 0.176 0.000 1.325 401 F HN -0.131 nan 8.300 nan 0.000 0.453 402 A N 0.612 123.463 122.820 0.052 0.000 2.568 402 A HA 0.955 5.277 4.320 0.003 0.000 0.291 402 A C -1.899 175.731 177.584 0.076 0.000 1.159 402 A CA -0.441 51.553 52.037 -0.072 0.000 0.679 402 A CB 1.525 20.519 19.000 -0.010 0.000 1.285 402 A HN 2.254 nan 8.150 nan 0.000 0.428 403 V N 0.252 120.185 119.914 0.031 0.000 3.177 403 V HA 0.754 4.876 4.120 0.003 0.000 0.287 403 V C -1.515 174.576 176.094 -0.005 0.000 1.465 403 V CA 0.117 62.407 62.300 -0.017 0.000 1.020 403 V CB 2.095 33.898 31.823 -0.033 0.000 1.152 403 V HN 1.905 nan 8.190 nan 0.000 0.448 404 M N 3.125 122.691 119.600 -0.057 0.000 2.644 404 M HA 0.731 5.213 4.480 0.003 0.000 0.273 404 M C -1.052 175.210 176.300 -0.063 0.000 1.253 404 M CA -0.483 54.780 55.300 -0.061 0.000 0.852 404 M CB 2.167 34.748 32.600 -0.033 0.000 1.708 404 M HN 0.448 nan 8.290 nan 0.000 0.471 405 S N 0.989 116.625 115.700 -0.106 0.000 2.564 405 S HA 0.339 4.811 4.470 0.003 0.000 0.278 405 S C 1.171 175.788 174.600 0.029 0.000 1.333 405 S CA 0.096 58.281 58.200 -0.025 0.000 1.048 405 S CB 1.249 64.404 63.200 -0.076 0.000 0.900 405 S HN 0.893 nan 8.310 nan 0.000 0.505 406 G N 2.282 111.148 108.800 0.111 0.000 2.421 406 G HA2 -0.111 3.851 3.960 0.003 0.000 0.216 406 G HA3 -0.111 3.851 3.960 0.003 0.000 0.216 406 G C 1.337 176.301 174.900 0.107 0.000 1.171 406 G CA 0.593 45.790 45.100 0.163 0.000 0.775 406 G HN 0.808 nan 8.290 nan 0.000 0.543 407 G N 0.340 109.184 108.800 0.074 0.000 2.708 407 G HA2 0.212 4.173 3.960 0.003 0.000 0.210 407 G HA3 0.212 4.173 3.960 0.003 0.000 0.210 407 G C 1.430 176.362 174.900 0.053 0.000 1.141 407 G CA 1.011 46.151 45.100 0.066 0.000 0.788 407 G HN 0.579 nan 8.290 nan 0.000 0.531 408 G N 0.247 109.047 108.800 0.001 0.000 2.623 408 G HA2 0.165 4.127 3.960 0.003 0.000 0.214 408 G HA3 0.165 4.127 3.960 0.003 0.000 0.214 408 G C 0.616 175.601 174.900 0.142 0.000 1.138 408 G CA -0.261 44.846 45.100 0.012 0.000 0.794 408 G HN 0.420 nan 8.290 nan 0.000 0.535 409 I N 1.203 121.839 120.570 0.110 0.000 2.312 409 I HA 0.311 4.483 4.170 0.003 0.000 0.291 409 I C 0.807 176.984 176.117 0.100 0.000 1.031 409 I CA -0.669 60.688 61.300 0.095 0.000 1.293 409 I CB 1.642 39.693 38.000 0.084 0.000 1.403 409 I HN -0.097 nan 8.210 nan 0.000 0.484 410 R N 3.118 123.655 120.500 0.062 0.000 2.362 410 R HA 0.296 4.638 4.340 0.003 0.000 0.227 410 R C -0.234 176.078 176.300 0.019 0.000 0.905 410 R CA 0.160 56.278 56.100 0.029 0.000 1.067 410 R CB -0.132 30.127 30.300 -0.067 0.000 1.078 410 R HN 0.653 nan 8.270 nan 0.000 0.516 411 D N -1.418 118.997 120.400 0.026 0.000 2.769 411 D HA 0.193 4.835 4.640 0.003 0.000 0.309 411 D C -1.008 175.311 176.300 0.033 0.000 1.315 411 D CA -0.191 53.825 54.000 0.028 0.000 0.780 411 D CB 1.514 42.310 40.800 -0.007 0.000 1.312 411 D HN -0.172 nan 8.370 nan 0.000 0.437 412 S N -0.306 115.416 115.700 0.036 0.000 2.739 412 S HA 0.767 5.239 4.470 0.003 0.000 0.306 412 S C -0.184 174.431 174.600 0.026 0.000 1.115 412 S CA -0.626 57.597 58.200 0.037 0.000 0.985 412 S CB 1.340 64.570 63.200 0.050 0.000 1.133 412 S HN 0.343 nan 8.310 nan 0.000 0.541 413 I N 1.743 122.330 120.570 0.028 0.000 2.468 413 I HA 0.262 4.434 4.170 0.003 0.000 0.285 413 I C -0.398 175.739 176.117 0.034 0.000 1.039 413 I CA -0.572 60.742 61.300 0.024 0.000 1.074 413 I CB 1.596 39.608 38.000 0.020 0.000 1.228 413 I HN 0.474 nan 8.210 nan 0.000 0.436 414 E N 4.016 124.237 120.200 0.035 0.000 2.408 414 E HA 0.265 4.617 4.350 0.003 0.000 0.259 414 E C 0.201 176.825 176.600 0.040 0.000 1.110 414 E CA -0.256 56.168 56.400 0.041 0.000 0.929 414 E CB 0.776 30.501 29.700 0.042 0.000 0.971 414 E HN 0.627 nan 8.360 nan 0.000 0.438 415 A N 0.850 123.697 122.820 0.044 0.000 2.520 415 A HA 0.434 4.756 4.320 0.003 0.000 0.235 415 A C 0.909 178.517 177.584 0.039 0.000 1.065 415 A CA 0.961 53.025 52.037 0.044 0.000 0.764 415 A CB -0.293 18.733 19.000 0.044 0.000 1.002 415 A HN 0.740 nan 8.150 nan 0.000 0.502 416 G N 1.563 110.387 108.800 0.039 0.000 2.337 416 G HA2 0.069 4.031 3.960 0.003 0.000 0.197 416 G HA3 0.069 4.031 3.960 0.003 0.000 0.197 416 G C -0.917 174.002 174.900 0.032 0.000 1.238 416 G CA -0.155 44.965 45.100 0.034 0.000 1.119 416 G HN 0.909 nan 8.290 nan 0.000 0.514 417 D N 0.609 121.025 120.400 0.027 0.000 2.458 417 D HA 0.473 5.115 4.640 0.003 0.000 0.243 417 D C 0.501 176.817 176.300 0.027 0.000 1.146 417 D CA 0.718 54.733 54.000 0.025 0.000 0.877 417 D CB 0.620 41.432 40.800 0.020 0.000 1.176 417 D HN 0.531 nan 8.370 nan 0.000 0.461 418 I N 1.903 122.492 120.570 0.032 0.000 2.389 418 I HA 0.190 4.361 4.170 0.003 0.000 0.288 418 I C 0.448 176.592 176.117 0.045 0.000 0.999 418 I CA -0.571 60.751 61.300 0.037 0.000 1.129 418 I CB 1.324 39.350 38.000 0.044 0.000 1.288 418 I HN 0.319 nan 8.210 nan 0.000 0.444 419 S N 5.147 120.874 115.700 0.045 0.000 2.767 419 S HA 0.306 4.777 4.470 0.003 0.000 0.300 419 S C 0.662 175.335 174.600 0.122 0.000 1.123 419 S CA -0.421 57.818 58.200 0.066 0.000 0.992 419 S CB 1.261 64.483 63.200 0.037 0.000 1.138 419 S HN 0.584 nan 8.310 nan 0.000 0.550 420 Y N 0.867 121.158 120.300 -0.014 0.000 2.373 420 Y HA 0.152 4.704 4.550 0.004 0.000 0.293 420 Y C 2.259 178.146 175.900 -0.023 0.000 1.129 420 Y CA 1.303 59.395 58.100 -0.013 0.000 1.226 420 Y CB -0.502 37.952 38.460 -0.011 0.000 1.000 420 Y HN 0.810 nan 8.280 nan 0.000 0.549 421 K N 0.318 120.659 120.400 -0.097 0.000 2.063 421 K HA -0.226 4.096 4.320 0.003 0.000 0.208 421 K C 1.723 178.219 176.600 -0.172 0.000 1.048 421 K CA 1.860 58.033 56.287 -0.190 0.000 0.928 421 K CB -0.209 32.221 32.500 -0.116 0.000 0.713 421 K HN 0.512 nan 8.250 nan 0.000 0.442 422 N N -0.175 118.472 118.700 -0.088 0.000 2.069 422 N HA -0.178 4.564 4.740 0.003 0.000 0.191 422 N C 1.744 177.211 175.510 -0.071 0.000 1.031 422 N CA 1.375 54.387 53.050 -0.063 0.000 0.852 422 N CB -0.067 38.410 38.487 -0.016 0.000 1.018 422 N HN -0.064 nan 8.380 nan 0.000 0.423 423 V N 1.564 121.448 119.914 -0.049 0.000 2.332 423 V HA -0.200 3.922 4.120 0.003 0.000 0.248 423 V C 2.128 178.149 176.094 -0.121 0.000 1.055 423 V CA 1.446 63.732 62.300 -0.024 0.000 1.038 423 V CB -0.578 31.326 31.823 0.136 0.000 0.651 423 V HN 0.328 nan 8.190 nan 0.000 0.450 424 L N -0.400 120.649 121.223 -0.290 0.000 2.191 424 L HA -0.171 4.171 4.340 0.003 0.000 0.212 424 L C 2.507 179.248 176.870 -0.214 0.000 1.103 424 L CA 1.299 55.957 54.840 -0.302 0.000 0.769 424 L CB -0.449 41.347 42.059 -0.439 0.000 0.908 424 L HN 0.280 nan 8.230 nan 0.000 0.438 425 K N 0.022 120.311 120.400 -0.186 0.000 2.116 425 K HA -0.068 4.253 4.320 0.003 0.000 0.203 425 K C 1.819 178.341 176.600 -0.129 0.000 1.052 425 K CA 0.984 57.169 56.287 -0.169 0.000 0.952 425 K CB -0.105 32.309 32.500 -0.143 0.000 0.729 425 K HN 0.027 nan 8.250 nan 0.000 0.446 426 V N 0.684 120.547 119.914 -0.086 0.000 2.515 426 V HA -0.112 4.009 4.120 0.003 0.000 0.250 426 V C 0.379 176.454 176.094 -0.032 0.000 1.058 426 V CA 1.329 63.604 62.300 -0.042 0.000 1.064 426 V CB -0.459 31.354 31.823 -0.016 0.000 0.675 426 V HN 0.337 nan 8.190 nan 0.000 0.461 427 Q N 0.070 119.839 119.800 -0.052 0.000 2.650 427 Q HA 0.262 4.604 4.340 0.003 0.000 0.239 427 Q C -2.314 173.636 176.000 -0.082 0.000 0.893 427 Q CA -1.103 54.691 55.803 -0.015 0.000 0.755 427 Q CB 2.495 31.262 28.738 0.047 0.000 1.349 427 Q HN 0.237 nan 8.270 nan 0.000 0.461 428 P HA 0.101 nan 4.420 nan 0.000 0.281 428 P C 0.519 177.695 177.300 -0.206 0.000 1.291 428 P CA 0.070 63.012 63.100 -0.262 0.000 0.906 428 P CB 0.333 31.808 31.700 -0.374 0.000 1.388 429 F N 1.486 121.453 119.950 0.029 0.000 2.494 429 F HA 0.179 4.708 4.527 0.003 0.000 0.298 429 F C 1.912 177.768 175.800 0.094 0.000 1.106 429 F CA 1.471 59.513 58.000 0.069 0.000 1.452 429 F CB -1.352 37.663 39.000 0.024 0.000 1.085 429 F HN 0.062 nan 8.300 nan 0.000 0.569 430 G N 0.985 109.911 108.800 0.211 0.000 2.198 430 G HA2 -0.344 3.618 3.960 0.003 0.000 0.260 430 G HA3 -0.344 3.618 3.960 0.003 0.000 0.260 430 G C 0.104 175.118 174.900 0.190 0.000 1.025 430 G CA 0.164 45.371 45.100 0.178 0.000 0.769 430 G HN 0.483 nan 8.290 nan 0.000 0.507 431 N N -1.016 117.802 118.700 0.198 0.000 2.371 431 N HA 0.427 5.169 4.740 0.003 0.000 0.243 431 N C 0.520 176.112 175.510 0.137 0.000 1.287 431 N CA 0.278 53.426 53.050 0.164 0.000 0.911 431 N CB 1.096 39.672 38.487 0.148 0.000 1.142 431 N HN 0.620 nan 8.380 nan 0.000 0.451 432 V N -1.362 118.619 119.914 0.112 0.000 2.581 432 V HA 0.487 4.609 4.120 0.003 0.000 0.303 432 V C 0.066 176.212 176.094 0.086 0.000 1.041 432 V CA -0.930 61.428 62.300 0.097 0.000 0.907 432 V CB 1.484 33.337 31.823 0.049 0.000 0.994 432 V HN 0.246 nan 8.190 nan 0.000 0.442 433 V N 5.371 125.354 119.914 0.115 0.000 2.637 433 V HA 0.500 4.622 4.120 0.003 0.000 0.296 433 V C 0.528 176.645 176.094 0.038 0.000 1.046 433 V CA 0.582 62.947 62.300 0.109 0.000 1.066 433 V CB 1.004 32.937 31.823 0.183 0.000 0.968 433 V HN 1.184 nan 8.190 nan 0.000 0.483 434 V N 3.725 123.645 119.914 0.010 0.000 3.102 434 V HA 0.904 5.026 4.120 0.003 0.000 0.312 434 V C -1.210 174.864 176.094 -0.035 0.000 1.135 434 V CA -0.869 61.342 62.300 -0.148 0.000 1.022 434 V CB 2.174 33.856 31.823 -0.234 0.000 1.056 434 V HN 0.896 nan 8.190 nan 0.000 0.436 435 Y N 0.350 120.522 120.300 -0.214 0.000 2.562 435 Y HA 0.983 5.534 4.550 0.003 0.000 0.345 435 Y C -0.625 175.205 175.900 -0.118 0.000 1.045 435 Y CA -1.052 56.975 58.100 -0.122 0.000 1.028 435 Y CB 1.629 40.048 38.460 -0.069 0.000 1.297 435 Y HN 1.246 nan 8.280 nan 0.000 0.463 436 A N 2.407 125.334 122.820 0.179 0.000 2.385 436 A HA 0.481 4.803 4.320 0.003 0.000 0.290 436 A C -1.696 176.007 177.584 0.199 0.000 1.094 436 A CA -0.785 51.341 52.037 0.148 0.000 0.729 436 A CB 0.559 19.636 19.000 0.128 0.000 1.194 436 A HN 0.724 nan 8.150 nan 0.000 0.442 437 D N 3.523 124.058 120.400 0.224 0.000 2.343 437 D HA 0.467 5.109 4.640 0.003 0.000 0.255 437 D C 0.345 176.747 176.300 0.170 0.000 1.187 437 D CA 0.716 54.840 54.000 0.206 0.000 0.875 437 D CB 0.866 41.774 40.800 0.180 0.000 1.136 437 D HN 0.702 nan 8.370 nan 0.000 0.469 438 M N -0.721 119.004 119.600 0.208 0.000 2.631 438 M HA 0.464 4.946 4.480 0.003 0.000 0.288 438 M C -0.162 176.275 176.300 0.229 0.000 1.260 438 M CA -1.015 54.395 55.300 0.183 0.000 0.842 438 M CB 1.948 34.644 32.600 0.159 0.000 1.743 438 M HN 0.131 nan 8.290 nan 0.000 0.461 439 T N -1.246 113.412 114.554 0.174 0.000 2.899 439 T HA 0.381 4.733 4.350 0.003 0.000 0.295 439 T C 1.208 176.025 174.700 0.195 0.000 1.033 439 T CA -0.018 62.191 62.100 0.182 0.000 1.084 439 T CB 1.046 69.982 68.868 0.112 0.000 0.979 439 T HN 0.898 nan 8.240 nan 0.000 0.532 440 G N 0.942 109.893 108.800 0.253 0.000 2.499 440 G HA2 -0.245 3.717 3.960 0.003 0.000 0.221 440 G HA3 -0.245 3.717 3.960 0.003 0.000 0.221 440 G C 1.323 176.220 174.900 -0.004 0.000 1.109 440 G CA 1.025 46.184 45.100 0.097 0.000 0.749 440 G HN 0.886 nan 8.290 nan 0.000 0.568 441 K N 0.528 120.955 120.400 0.046 0.000 1.984 441 K HA -0.088 4.234 4.320 0.003 0.000 0.209 441 K C 2.385 179.004 176.600 0.032 0.000 1.046 441 K CA 1.473 57.776 56.287 0.027 0.000 0.934 441 K CB -0.249 32.274 32.500 0.039 0.000 0.717 441 K HN 0.397 nan 8.250 nan 0.000 0.438 442 E N 0.398 120.635 120.200 0.062 0.000 2.070 442 E HA -0.195 4.157 4.350 0.003 0.000 0.197 442 E C 2.040 178.712 176.600 0.122 0.000 1.004 442 E CA 1.611 58.066 56.400 0.091 0.000 0.805 442 E CB -0.162 29.597 29.700 0.098 0.000 0.744 442 E HN 0.114 nan 8.360 nan 0.000 0.451 443 V N 1.546 121.507 119.914 0.079 0.000 2.324 443 V HA -0.292 3.830 4.120 0.003 0.000 0.250 443 V C 2.237 178.357 176.094 0.042 0.000 1.060 443 V CA 1.706 64.045 62.300 0.065 0.000 1.042 443 V CB -0.468 31.167 31.823 -0.314 0.000 0.650 443 V HN 0.261 nan 8.190 nan 0.000 0.450 444 I N -0.187 120.361 120.570 -0.037 0.000 2.163 444 I HA -0.187 3.985 4.170 0.003 0.000 0.240 444 I C 2.368 178.476 176.117 -0.014 0.000 1.081 444 I CA 1.647 62.912 61.300 -0.057 0.000 1.353 444 I CB -0.557 37.399 38.000 -0.073 0.000 1.054 444 I HN 0.311 nan 8.210 nan 0.000 0.407 445 D N 0.158 120.574 120.400 0.025 0.000 2.104 445 D HA -0.251 4.391 4.640 0.003 0.000 0.194 445 D C 1.918 178.257 176.300 0.065 0.000 0.994 445 D CA 1.599 55.618 54.000 0.031 0.000 0.830 445 D CB -0.482 40.348 40.800 0.049 0.000 0.959 445 D HN 0.350 nan 8.370 nan 0.000 0.452 446 Y N 1.703 122.015 120.300 0.020 0.000 2.070 446 Y HA -0.169 4.383 4.550 0.003 0.000 0.279 446 Y C 2.413 178.348 175.900 0.057 0.000 1.134 446 Y CA 1.402 59.532 58.100 0.051 0.000 1.113 446 Y CB -0.575 37.952 38.460 0.113 0.000 0.981 446 Y HN -0.135 nan 8.280 nan 0.000 0.487 447 L N -0.693 120.639 121.223 0.183 0.000 2.081 447 L HA -0.284 4.057 4.340 0.003 0.000 0.212 447 L C 2.296 179.077 176.870 -0.148 0.000 1.080 447 L CA 1.857 56.750 54.840 0.088 0.000 0.754 447 L CB -1.052 41.104 42.059 0.163 0.000 0.893 447 L HN 0.297 nan 8.230 nan 0.000 0.433 448 T N -0.116 114.336 114.554 -0.170 0.000 2.746 448 T HA -0.166 4.185 4.350 0.003 0.000 0.267 448 T C 1.984 176.578 174.700 -0.176 0.000 1.039 448 T CA 1.438 63.406 62.100 -0.220 0.000 1.142 448 T CB -0.164 68.611 68.868 -0.155 0.000 0.866 448 T HN 0.480 nan 8.240 nan 0.000 0.444 449 A N 0.554 123.267 122.820 -0.177 0.000 1.968 449 A HA 0.053 4.375 4.320 0.003 0.000 0.217 449 A C 2.469 179.897 177.584 -0.259 0.000 1.169 449 A CA 0.871 52.794 52.037 -0.190 0.000 0.638 449 A CB -0.632 18.257 19.000 -0.184 0.000 0.812 449 A HN 0.365 nan 8.150 nan 0.000 0.446 450 V N -0.466 119.229 119.914 -0.364 0.000 2.871 450 V HA -0.079 4.043 4.120 0.003 0.000 0.256 450 V C 2.703 178.772 176.094 -0.043 0.000 1.082 450 V CA 1.430 63.480 62.300 -0.417 0.000 1.105 450 V CB -0.527 30.940 31.823 -0.594 0.000 0.713 450 V HN 0.567 nan 8.190 nan 0.000 0.473 451 A N -0.692 122.186 122.820 0.097 0.000 2.208 451 A HA -0.123 4.198 4.320 0.003 0.000 0.209 451 A C 2.117 179.936 177.584 0.393 0.000 1.161 451 A CA 0.992 53.253 52.037 0.373 0.000 0.782 451 A CB -0.312 18.608 19.000 -0.133 0.000 0.816 451 A HN 0.577 nan 8.150 nan 0.000 0.477 452 Q N -0.707 119.163 119.800 0.117 0.000 2.432 452 Q HA 0.141 4.482 4.340 0.003 0.000 0.205 452 Q C 0.171 176.179 176.000 0.013 0.000 0.945 452 Q CA 0.125 55.969 55.803 0.069 0.000 0.924 452 Q CB -0.044 28.685 28.738 -0.015 0.000 1.016 452 Q HN 0.637 nan 8.270 nan 0.000 0.503 453 M N 2.441 122.030 119.600 -0.018 0.000 2.144 453 M HA 0.231 4.713 4.480 0.003 0.000 0.356 453 M C -0.240 176.030 176.300 -0.049 0.000 1.217 453 M CA -0.419 54.852 55.300 -0.048 0.000 1.087 453 M CB 1.224 33.777 32.600 -0.079 0.000 1.609 453 M HN -0.174 nan 8.290 nan 0.000 0.467 454 K N 2.983 123.341 120.400 -0.070 0.000 2.286 454 K HA 0.295 4.616 4.320 0.003 0.000 0.256 454 K C -2.368 174.197 176.600 -0.057 0.000 0.999 454 K CA -1.215 55.005 56.287 -0.113 0.000 0.908 454 K CB -0.264 32.169 32.500 -0.111 0.000 0.981 454 K HN 0.299 nan 8.250 nan 0.000 0.500 455 P HA 0.004 nan 4.420 nan 0.000 0.274 455 P C 0.366 177.354 177.300 -0.520 0.000 1.260 455 P CA 0.222 63.081 63.100 -0.401 0.000 0.793 455 P CB 0.443 31.899 31.700 -0.406 0.000 1.048 456 D N -2.159 117.528 120.400 -1.189 0.000 2.235 456 D HA -0.149 4.492 4.640 0.003 0.000 0.173 456 D C 0.004 175.943 176.300 -0.602 0.000 1.522 456 D CA 1.893 55.130 54.000 -1.272 0.000 1.559 456 D CB -1.619 38.949 40.800 -0.388 0.000 1.362 456 D HN 0.462 nan 8.370 nan 0.000 0.511 457 S N -0.679 114.827 115.700 -0.323 0.000 2.687 457 S HA 0.657 5.129 4.470 0.003 0.000 0.283 457 S C 1.620 176.186 174.600 -0.057 0.000 1.170 457 S CA 0.479 58.602 58.200 -0.128 0.000 1.008 457 S CB 1.457 64.625 63.200 -0.052 0.000 1.026 457 S HN 0.459 nan 8.310 nan 0.000 0.541 458 G N 0.209 109.017 108.800 0.014 0.000 2.498 458 G HA2 0.070 4.032 3.960 0.003 0.000 0.219 458 G HA3 0.070 4.032 3.960 0.003 0.000 0.219 458 G C 1.328 176.294 174.900 0.109 0.000 1.119 458 G CA 0.583 45.718 45.100 0.058 0.000 0.766 458 G HN 1.123 nan 8.290 nan 0.000 0.552 459 A N -0.354 122.543 122.820 0.128 0.000 2.119 459 A HA 0.166 4.488 4.320 0.003 0.000 0.217 459 A C 1.055 178.767 177.584 0.213 0.000 1.153 459 A CA -0.210 51.955 52.037 0.214 0.000 0.692 459 A CB -0.458 18.633 19.000 0.152 0.000 0.799 459 A HN 0.405 nan 8.150 nan 0.000 0.458 460 Y N 1.651 121.962 120.300 0.018 0.000 2.881 460 Y HA 0.182 4.734 4.550 0.004 0.000 0.335 460 Y C -2.593 173.353 175.900 0.077 0.000 1.263 460 Y CA -2.002 56.097 58.100 -0.002 0.000 1.572 460 Y CB 0.226 38.627 38.460 -0.099 0.000 1.237 460 Y HN 0.105 nan 8.280 nan 0.000 0.568 461 P HA 0.099 nan 4.420 nan 0.000 0.281 461 P C -1.275 175.655 177.300 -0.616 0.000 1.252 461 P CA -0.160 62.624 63.100 -0.526 0.000 0.778 461 P CB 0.852 32.188 31.700 -0.607 0.000 0.895 462 Q N 3.090 122.677 119.800 -0.354 0.000 2.400 462 Q HA 0.364 4.706 4.340 0.003 0.000 0.255 462 Q C -0.640 175.254 176.000 -0.176 0.000 1.008 462 Q CA -0.287 55.458 55.803 -0.097 0.000 0.841 462 Q CB 0.630 29.390 28.738 0.036 0.000 1.220 462 Q HN 0.413 nan 8.270 nan 0.000 0.474 463 F N 0.756 120.780 119.950 0.123 0.000 2.403 463 F HA 0.683 5.212 4.527 0.003 0.000 0.326 463 F C 0.481 176.358 175.800 0.129 0.000 1.081 463 F CA -0.870 57.214 58.000 0.141 0.000 1.041 463 F CB 1.291 40.374 39.000 0.139 0.000 1.234 463 F HN 0.415 nan 8.300 nan 0.000 0.503 464 A N 1.554 124.595 122.820 0.368 0.000 2.408 464 A HA 0.562 4.883 4.320 0.003 0.000 0.295 464 A C -0.275 177.483 177.584 0.289 0.000 1.040 464 A CA -0.785 51.409 52.037 0.262 0.000 0.707 464 A CB 0.695 19.810 19.000 0.193 0.000 1.235 464 A HN 0.807 nan 8.150 nan 0.000 0.418 465 N N -0.567 118.263 118.700 0.217 0.000 2.741 465 N HA -0.144 4.598 4.740 0.003 0.000 0.251 465 N C -0.487 175.132 175.510 0.181 0.000 1.112 465 N CA 1.464 54.630 53.050 0.192 0.000 0.750 465 N CB -1.267 37.358 38.487 0.229 0.000 1.119 465 N HN 0.665 nan 8.380 nan 0.000 0.561 466 V N 0.402 120.416 119.914 0.167 0.000 2.540 466 V HA 0.701 4.823 4.120 0.003 0.000 0.302 466 V C 0.088 176.125 176.094 -0.095 0.000 1.035 466 V CA -0.623 61.727 62.300 0.083 0.000 0.873 466 V CB 2.187 34.123 31.823 0.189 0.000 0.992 466 V HN 0.320 nan 8.190 nan 0.000 0.428 467 S N 4.720 120.345 115.700 -0.124 0.000 2.614 467 S HA 0.930 5.402 4.470 0.003 0.000 0.288 467 S C -1.000 173.498 174.600 -0.170 0.000 1.137 467 S CA -0.650 57.412 58.200 -0.229 0.000 0.992 467 S CB 1.794 64.919 63.200 -0.124 0.000 1.026 467 S HN 1.138 nan 8.310 nan 0.000 0.486 468 F N -0.665 119.123 119.950 -0.269 0.000 2.741 468 F HA 0.804 5.333 4.527 0.003 0.000 0.313 468 F C -2.105 173.507 175.800 -0.314 0.000 1.153 468 F CA -1.466 56.361 58.000 -0.287 0.000 0.931 468 F CB 0.832 39.618 39.000 -0.357 0.000 1.335 468 F HN 0.310 nan 8.300 nan 0.000 0.460 469 V N 2.457 122.467 119.914 0.160 0.000 2.276 469 V HA 0.687 4.809 4.120 0.003 0.000 0.268 469 V C 0.208 176.327 176.094 0.042 0.000 1.032 469 V CA -0.567 61.755 62.300 0.037 0.000 0.810 469 V CB 0.443 32.260 31.823 -0.010 0.000 1.060 469 V HN 1.139 nan 8.190 nan 0.000 0.446 470 A N 5.249 128.064 122.820 -0.009 0.000 2.524 470 A HA 0.537 4.859 4.320 0.003 0.000 0.250 470 A C 0.222 177.799 177.584 -0.012 0.000 1.078 470 A CA 0.378 52.288 52.037 -0.210 0.000 0.761 470 A CB 0.090 18.758 19.000 -0.553 0.000 1.012 470 A HN 0.744 nan 8.150 nan 0.000 0.500 471 K N 1.905 122.305 120.400 -0.000 0.000 2.498 471 K HA 0.235 4.557 4.320 0.003 0.000 0.254 471 K C -1.040 175.581 176.600 0.035 0.000 0.933 471 K CA -0.983 55.335 56.287 0.051 0.000 0.806 471 K CB 1.704 34.221 32.500 0.028 0.000 1.301 471 K HN 0.699 nan 8.250 nan 0.000 0.432 472 D N 1.937 122.371 120.400 0.056 0.000 2.903 472 D HA -0.218 4.424 4.640 0.003 0.000 0.210 472 D C 0.754 177.063 176.300 0.014 0.000 1.263 472 D CA 2.019 56.041 54.000 0.036 0.000 0.661 472 D CB -0.542 40.271 40.800 0.022 0.000 0.936 472 D HN 1.060 nan 8.370 nan 0.000 0.392 473 G N 0.302 109.114 108.800 0.019 0.000 2.155 473 G HA2 -0.343 3.619 3.960 0.003 0.000 0.257 473 G HA3 -0.343 3.619 3.960 0.003 0.000 0.257 473 G C 0.204 175.070 174.900 -0.056 0.000 0.983 473 G CA 0.881 45.974 45.100 -0.013 0.000 0.676 473 G HN 0.508 nan 8.290 nan 0.000 0.528 474 K N -0.516 119.841 120.400 -0.072 0.000 2.422 474 K HA 0.611 4.932 4.320 0.003 0.000 0.251 474 K C -0.282 176.212 176.600 -0.176 0.000 0.933 474 K CA -0.969 55.251 56.287 -0.112 0.000 0.798 474 K CB 2.060 34.517 32.500 -0.072 0.000 1.238 474 K HN 0.076 nan 8.250 nan 0.000 0.428 475 L N 3.799 124.875 121.223 -0.245 0.000 2.282 475 L HA 0.248 4.590 4.340 0.003 0.000 0.287 475 L C -0.162 176.608 176.870 -0.167 0.000 1.075 475 L CA -0.757 53.884 54.840 -0.332 0.000 0.839 475 L CB 0.012 41.769 42.059 -0.503 0.000 1.219 475 L HN 0.484 nan 8.230 nan 0.000 0.434 476 N N 1.942 120.583 118.700 -0.098 0.000 2.493 476 N HA 0.099 4.841 4.740 0.003 0.000 0.275 476 N C 0.031 175.524 175.510 -0.027 0.000 1.186 476 N CA -0.546 52.473 53.050 -0.052 0.000 0.978 476 N CB 0.877 39.345 38.487 -0.032 0.000 1.184 476 N HN 0.461 nan 8.380 nan 0.000 0.487 477 D N -0.614 119.769 120.400 -0.029 0.000 2.792 477 D HA -0.197 4.445 4.640 0.003 0.000 0.231 477 D C -0.381 175.907 176.300 -0.020 0.000 1.160 477 D CA 0.427 54.412 54.000 -0.024 0.000 0.697 477 D CB -0.986 39.802 40.800 -0.021 0.000 1.070 477 D HN 0.377 nan 8.370 nan 0.000 0.426 478 L N 0.742 121.945 121.223 -0.033 0.000 2.513 478 L HA 0.129 4.471 4.340 0.003 0.000 0.272 478 L C 0.335 177.168 176.870 -0.062 0.000 1.187 478 L CA 0.696 55.513 54.840 -0.039 0.000 0.895 478 L CB 0.294 42.292 42.059 -0.101 0.000 1.147 478 L HN 0.099 nan 8.230 nan 0.000 0.483 479 K N 5.921 126.285 120.400 -0.060 0.000 2.690 479 K HA 0.277 4.599 4.320 0.003 0.000 0.264 479 K C -1.451 175.109 176.600 -0.067 0.000 1.040 479 K CA -0.734 55.515 56.287 -0.065 0.000 0.946 479 K CB 0.789 33.268 32.500 -0.035 0.000 1.268 479 K HN 0.309 nan 8.250 nan 0.000 0.473 480 I N 3.500 123.998 120.570 -0.119 0.000 2.505 480 I HA 0.025 4.196 4.170 0.003 0.000 0.287 480 I C 0.749 176.874 176.117 0.014 0.000 1.104 480 I CA 0.520 61.755 61.300 -0.108 0.000 1.387 480 I CB -0.242 37.577 38.000 -0.302 0.000 1.404 480 I HN 0.816 nan 8.210 nan 0.000 0.528 481 K N 4.747 125.176 120.400 0.047 0.000 3.117 481 K HA -0.239 4.082 4.320 0.003 0.000 0.269 481 K C 1.054 177.677 176.600 0.037 0.000 1.098 481 K CA 0.510 56.834 56.287 0.062 0.000 0.785 481 K CB -1.475 31.074 32.500 0.083 0.000 1.242 481 K HN 1.132 nan 8.250 nan 0.000 0.491 482 G N -0.529 108.282 108.800 0.019 0.000 2.320 482 G HA2 -0.299 3.663 3.960 0.003 0.000 0.242 482 G HA3 -0.299 3.663 3.960 0.003 0.000 0.242 482 G C -0.151 174.754 174.900 0.007 0.000 1.033 482 G CA 0.586 45.691 45.100 0.009 0.000 0.620 482 G HN 0.303 nan 8.290 nan 0.000 0.517 483 E N 2.151 122.362 120.200 0.018 0.000 2.216 483 E HA 0.430 4.782 4.350 0.003 0.000 0.279 483 E C -2.231 174.378 176.600 0.015 0.000 0.997 483 E CA -2.072 54.341 56.400 0.023 0.000 0.817 483 E CB 1.600 31.324 29.700 0.041 0.000 1.096 483 E HN 0.294 nan 8.360 nan 0.000 0.393 484 P HA -0.025 nan 4.420 nan 0.000 0.266 484 P C 0.081 177.380 177.300 -0.001 0.000 1.195 484 P CA -0.120 62.971 63.100 -0.014 0.000 0.768 484 P CB 0.563 32.257 31.700 -0.009 0.000 0.838 485 V N 4.096 123.962 119.914 -0.080 0.000 2.458 485 V HA -0.043 4.079 4.120 0.003 0.000 0.287 485 V C 1.065 177.160 176.094 0.001 0.000 1.009 485 V CA 0.609 62.821 62.300 -0.145 0.000 1.091 485 V CB -0.350 31.257 31.823 -0.359 0.000 0.960 485 V HN 0.582 nan 8.190 nan 0.000 0.476 486 D N 7.612 128.129 120.400 0.195 0.000 2.316 486 D HA 0.232 4.874 4.640 0.003 0.000 0.245 486 D C -1.627 174.774 176.300 0.169 0.000 1.171 486 D CA -1.986 52.112 54.000 0.163 0.000 0.856 486 D CB 2.135 43.033 40.800 0.163 0.000 1.090 486 D HN 0.233 nan 8.370 nan 0.000 0.476 487 P HA -0.116 nan 4.420 nan 0.000 0.220 487 P C 0.621 177.975 177.300 0.091 0.000 1.144 487 P CA 0.971 64.114 63.100 0.072 0.000 0.800 487 P CB 0.397 32.119 31.700 0.036 0.000 0.772 488 A N -1.389 121.483 122.820 0.086 0.000 1.956 488 A HA 0.013 4.335 4.320 0.003 0.000 0.212 488 A C 1.173 178.791 177.584 0.056 0.000 1.188 488 A CA 0.604 52.677 52.037 0.061 0.000 0.675 488 A CB -0.360 18.660 19.000 0.035 0.000 0.845 488 A HN 0.102 nan 8.150 nan 0.000 0.455 489 K N 0.947 121.384 120.400 0.061 0.000 2.180 489 K HA 0.324 4.646 4.320 0.003 0.000 0.251 489 K C -0.300 176.252 176.600 -0.079 0.000 1.014 489 K CA 0.463 56.699 56.287 -0.084 0.000 0.913 489 K CB 0.349 32.681 32.500 -0.280 0.000 1.008 489 K HN 0.412 nan 8.250 nan 0.000 0.490 490 T N -0.521 113.895 114.554 -0.229 0.000 2.824 490 T HA 0.467 4.819 4.350 0.003 0.000 0.280 490 T C -0.867 173.681 174.700 -0.254 0.000 0.995 490 T CA -0.786 61.268 62.100 -0.075 0.000 1.009 490 T CB 0.278 69.137 68.868 -0.016 0.000 0.955 490 T HN 0.301 nan 8.240 nan 0.000 0.452 491 Y N 0.515 120.877 120.300 0.104 0.000 2.462 491 Y HA 0.629 5.181 4.550 0.003 0.000 0.346 491 Y C 0.378 176.436 175.900 0.265 0.000 0.976 491 Y CA -1.394 56.809 58.100 0.171 0.000 1.044 491 Y CB 1.974 40.515 38.460 0.135 0.000 1.230 491 Y HN 0.703 nan 8.280 nan 0.000 0.455 492 R N 3.800 124.541 120.500 0.402 0.000 2.393 492 R HA 0.672 5.014 4.340 0.003 0.000 0.310 492 R C -1.137 175.309 176.300 0.245 0.000 0.968 492 R CA -0.586 55.678 56.100 0.273 0.000 0.867 492 R CB 1.073 31.434 30.300 0.102 0.000 1.124 492 R HN 0.942 nan 8.270 nan 0.000 0.450 493 M N 3.572 123.191 119.600 0.031 0.000 2.528 493 M HA 0.602 5.084 4.480 0.003 0.000 0.321 493 M C -1.450 174.772 176.300 -0.131 0.000 1.153 493 M CA -0.555 54.516 55.300 -0.382 0.000 0.951 493 M CB 2.138 34.244 32.600 -0.823 0.000 1.705 493 M HN 0.767 nan 8.290 nan 0.000 0.451 494 A N 2.574 125.306 122.820 -0.147 0.000 2.337 494 A HA 0.858 5.180 4.320 0.003 0.000 0.329 494 A C -0.487 177.081 177.584 -0.027 0.000 1.146 494 A CA -0.396 51.630 52.037 -0.017 0.000 0.800 494 A CB 1.723 20.729 19.000 0.009 0.000 1.220 494 A HN 0.914 nan 8.150 nan 0.000 0.472 495 T N 0.351 114.919 114.554 0.024 0.000 2.661 495 T HA 0.451 4.803 4.350 0.003 0.000 0.303 495 T C -1.783 172.951 174.700 0.057 0.000 1.658 495 T CA -0.504 61.618 62.100 0.036 0.000 0.974 495 T CB 0.392 69.292 68.868 0.053 0.000 1.857 495 T HN 0.497 nan 8.240 nan 0.000 0.475 496 L N 3.490 124.751 121.223 0.062 0.000 2.334 496 L HA 0.463 4.805 4.340 0.003 0.000 0.272 496 L C 1.891 178.827 176.870 0.111 0.000 1.020 496 L CA -0.503 54.391 54.840 0.089 0.000 0.812 496 L CB 1.270 43.388 42.059 0.099 0.000 1.264 496 L HN 0.955 nan 8.230 nan 0.000 0.439 497 N N 1.279 120.048 118.700 0.115 0.000 2.258 497 N HA -0.292 4.450 4.740 0.003 0.000 0.187 497 N C 1.551 177.099 175.510 0.063 0.000 1.012 497 N CA 1.421 54.540 53.050 0.114 0.000 0.870 497 N CB -0.635 37.903 38.487 0.085 0.000 0.977 497 N HN 0.617 nan 8.380 nan 0.000 0.434 498 F N 2.182 122.100 119.950 -0.053 0.000 2.046 498 F HA -0.178 4.351 4.527 0.003 0.000 0.297 498 F C 1.758 177.479 175.800 -0.131 0.000 1.123 498 F CA 1.969 59.906 58.000 -0.104 0.000 1.199 498 F CB -0.521 38.394 39.000 -0.142 0.000 0.972 498 F HN -0.005 nan 8.300 nan 0.000 0.474 499 N N 0.436 119.079 118.700 -0.095 0.000 2.216 499 N HA -0.037 4.705 4.740 0.003 0.000 0.183 499 N C 1.853 177.318 175.510 -0.075 0.000 1.017 499 N CA 1.228 54.115 53.050 -0.272 0.000 0.861 499 N CB -0.679 37.547 38.487 -0.435 0.000 0.986 499 N HN 0.383 nan 8.380 nan 0.000 0.428 500 A N 0.249 123.067 122.820 -0.004 0.000 2.076 500 A HA -0.138 4.184 4.320 0.003 0.000 0.220 500 A C 1.998 179.496 177.584 -0.143 0.000 1.160 500 A CA 1.925 53.959 52.037 -0.004 0.000 0.653 500 A CB -1.009 18.082 19.000 0.151 0.000 0.801 500 A HN 0.484 nan 8.150 nan 0.000 0.455 501 T N -5.227 109.229 114.554 -0.163 0.000 3.086 501 T HA 0.443 4.795 4.350 0.003 0.000 0.250 501 T C 1.152 175.741 174.700 -0.185 0.000 1.074 501 T CA 0.987 62.969 62.100 -0.195 0.000 0.988 501 T CB 0.298 69.051 68.868 -0.192 0.000 0.988 501 T HN 1.629 nan 8.240 nan 0.000 0.530 502 G N 0.463 109.162 108.800 -0.169 0.000 2.154 502 G HA2 -0.009 3.953 3.960 0.003 0.000 0.186 502 G HA3 -0.009 3.953 3.960 0.003 0.000 0.186 502 G C 0.381 175.128 174.900 -0.254 0.000 1.000 502 G CA -0.424 44.600 45.100 -0.127 0.000 0.664 502 G HN 0.949 nan 8.290 nan 0.000 0.513 503 G N -0.022 108.417 108.800 -0.601 0.000 2.340 503 G HA2 0.469 4.431 3.960 0.003 0.000 0.245 503 G HA3 0.469 4.431 3.960 0.003 0.000 0.245 503 G C 0.572 175.199 174.900 -0.455 0.000 1.294 503 G CA 0.920 45.284 45.100 -1.226 0.000 0.896 503 G HN 0.735 nan 8.290 nan 0.000 0.522 504 D N 0.632 120.975 120.400 -0.094 0.000 2.945 504 D HA -0.190 4.452 4.640 0.003 0.000 0.225 504 D C 1.601 178.025 176.300 0.207 0.000 1.158 504 D CA 2.372 56.485 54.000 0.188 0.000 0.805 504 D CB -1.275 39.740 40.800 0.358 0.000 1.098 504 D HN 1.719 nan 8.370 nan 0.000 0.426 505 G N -1.177 107.673 108.800 0.084 0.000 2.155 505 G HA2 -0.397 3.565 3.960 0.003 0.000 0.257 505 G HA3 -0.397 3.565 3.960 0.003 0.000 0.257 505 G C 0.193 175.147 174.900 0.089 0.000 0.983 505 G CA 0.346 45.481 45.100 0.057 0.000 0.676 505 G HN 0.437 nan 8.290 nan 0.000 0.528 506 Y N 0.788 121.042 120.300 -0.077 0.000 2.497 506 Y HA 0.376 4.927 4.550 0.003 0.000 0.334 506 Y C -1.429 174.468 175.900 -0.006 0.000 1.199 506 Y CA -1.592 56.480 58.100 -0.047 0.000 1.425 506 Y CB 0.343 38.799 38.460 -0.006 0.000 1.291 506 Y HN 0.022 nan 8.280 nan 0.000 0.562 507 P HA -0.024 nan 4.420 nan 0.000 0.260 507 P C -0.535 176.883 177.300 0.197 0.000 1.172 507 P CA 0.389 63.585 63.100 0.161 0.000 0.760 507 P CB 0.366 32.207 31.700 0.235 0.000 0.773 508 R N 2.793 123.333 120.500 0.067 0.000 2.537 508 R HA 0.140 4.482 4.340 0.003 0.000 0.280 508 R C 0.440 176.710 176.300 -0.050 0.000 1.058 508 R CA -0.155 55.933 56.100 -0.021 0.000 1.057 508 R CB 0.240 30.500 30.300 -0.067 0.000 0.973 508 R HN 0.428 nan 8.270 nan 0.000 0.438 509 L N 1.849 122.970 121.223 -0.170 0.000 3.076 509 L HA -0.017 4.325 4.340 0.003 0.000 0.271 509 L C 1.529 178.053 176.870 -0.576 0.000 1.152 509 L CA 0.728 55.431 54.840 -0.229 0.000 0.996 509 L CB -0.132 41.837 42.059 -0.150 0.000 1.453 509 L HN 0.679 nan 8.230 nan 0.000 0.571 510 D N 0.245 120.101 120.400 -0.906 0.000 2.263 510 D HA -0.189 4.453 4.640 0.003 0.000 0.208 510 D C 0.676 176.589 176.300 -0.645 0.000 0.971 510 D CA 1.259 54.363 54.000 -1.494 0.000 0.867 510 D CB -0.223 40.064 40.800 -0.856 0.000 0.929 510 D HN 0.485 nan 8.370 nan 0.000 0.492 511 N N -0.349 118.140 118.700 -0.351 0.000 2.235 511 N HA 0.099 4.841 4.740 0.003 0.000 0.231 511 N C -0.415 175.033 175.510 -0.102 0.000 1.177 511 N CA -0.413 52.536 53.050 -0.167 0.000 0.874 511 N CB 0.348 38.761 38.487 -0.123 0.000 1.097 511 N HN -0.058 nan 8.380 nan 0.000 0.518 512 K N 2.141 122.476 120.400 -0.109 0.000 2.182 512 K HA 0.471 4.793 4.320 0.003 0.000 0.262 512 K C -2.407 174.201 176.600 0.013 0.000 0.957 512 K CA -2.118 54.147 56.287 -0.036 0.000 0.842 512 K CB 1.507 33.989 32.500 -0.031 0.000 1.099 512 K HN -0.008 nan 8.250 nan 0.000 0.438 513 P HA 0.041 nan 4.420 nan 0.000 0.268 513 P C 0.295 177.635 177.300 0.067 0.000 1.208 513 P CA 0.538 63.664 63.100 0.043 0.000 0.777 513 P CB 0.712 32.432 31.700 0.034 0.000 0.875 514 G N 0.467 109.308 108.800 0.069 0.000 2.195 514 G HA2 -0.282 3.680 3.960 0.003 0.000 0.246 514 G HA3 -0.282 3.680 3.960 0.003 0.000 0.246 514 G C -0.185 174.755 174.900 0.066 0.000 0.984 514 G CA 0.080 45.227 45.100 0.079 0.000 0.633 514 G HN 0.648 nan 8.290 nan 0.000 0.525 515 Y N 1.179 121.427 120.300 -0.086 0.000 2.335 515 Y HA 0.523 5.075 4.550 0.003 0.000 0.331 515 Y C -0.048 175.696 175.900 -0.261 0.000 1.094 515 Y CA -0.414 57.589 58.100 -0.162 0.000 1.253 515 Y CB 1.298 39.685 38.460 -0.123 0.000 1.203 515 Y HN 0.190 nan 8.280 nan 0.000 0.508 516 V N 7.322 126.606 119.914 -1.050 0.000 2.482 516 V HA 0.174 4.296 4.120 0.003 0.000 0.295 516 V C -0.662 174.728 176.094 -1.174 0.000 1.026 516 V CA -1.199 60.481 62.300 -1.032 0.000 0.856 516 V CB 1.454 32.561 31.823 -1.192 0.000 1.001 516 V HN 0.816 nan 8.190 nan 0.000 0.424 517 N N 3.243 121.423 118.700 -0.867 0.000 2.415 517 N HA 0.056 4.798 4.740 0.003 0.000 0.246 517 N C 1.320 176.578 175.510 -0.421 0.000 1.078 517 N CA 0.429 53.135 53.050 -0.574 0.000 0.942 517 N CB 1.922 40.250 38.487 -0.264 0.000 1.140 517 N HN 0.805 nan 8.380 nan 0.000 0.501 518 T N 0.960 115.277 114.554 -0.394 0.000 3.051 518 T HA 0.058 4.410 4.350 0.003 0.000 0.269 518 T C 1.403 175.654 174.700 -0.749 0.000 1.127 518 T CA 1.021 62.807 62.100 -0.523 0.000 1.107 518 T CB -0.454 68.201 68.868 -0.356 0.000 0.898 518 T HN 0.673 nan 8.240 nan 0.000 0.517 519 G N 0.776 109.340 108.800 -0.392 0.000 2.220 519 G HA2 -0.237 3.724 3.960 0.003 0.000 0.269 519 G HA3 -0.237 3.724 3.960 0.003 0.000 0.269 519 G C -0.086 174.741 174.900 -0.123 0.000 0.977 519 G CA 0.166 45.111 45.100 -0.258 0.000 0.634 519 G HN 0.572 nan 8.290 nan 0.000 0.539 520 F N 1.917 121.882 119.950 0.026 0.000 2.504 520 F HA 0.462 4.991 4.527 0.003 0.000 0.369 520 F C 1.232 177.064 175.800 0.052 0.000 1.082 520 F CA -1.739 56.285 58.000 0.040 0.000 1.216 520 F CB 0.394 39.420 39.000 0.043 0.000 1.108 520 F HN -0.072 nan 8.300 nan 0.000 0.554 521 I N 4.240 124.967 120.570 0.262 0.000 2.618 521 I HA -0.058 4.114 4.170 0.003 0.000 0.284 521 I C 1.292 177.510 176.117 0.170 0.000 1.146 521 I CA -0.244 61.167 61.300 0.185 0.000 1.425 521 I CB 0.306 38.407 38.000 0.168 0.000 1.383 521 I HN 0.588 nan 8.210 nan 0.000 0.562 522 D N 5.619 126.108 120.400 0.148 0.000 2.133 522 D HA -0.232 4.410 4.640 0.003 0.000 0.195 522 D C 1.805 178.179 176.300 0.123 0.000 0.997 522 D CA 1.786 55.859 54.000 0.123 0.000 0.840 522 D CB -0.258 40.608 40.800 0.111 0.000 0.947 522 D HN 0.588 nan 8.370 nan 0.000 0.452 523 A N 0.855 123.763 122.820 0.146 0.000 1.883 523 A HA -0.229 4.093 4.320 0.003 0.000 0.217 523 A C 2.203 179.934 177.584 0.244 0.000 1.186 523 A CA 1.777 53.935 52.037 0.202 0.000 0.624 523 A CB -0.510 18.622 19.000 0.220 0.000 0.822 523 A HN 0.141 nan 8.150 nan 0.000 0.444 524 E N -0.148 120.160 120.200 0.181 0.000 2.058 524 E HA -0.146 4.206 4.350 0.003 0.000 0.194 524 E C 2.234 178.853 176.600 0.032 0.000 0.997 524 E CA 1.455 57.897 56.400 0.070 0.000 0.801 524 E CB -0.733 29.003 29.700 0.059 0.000 0.746 524 E HN 0.390 nan 8.360 nan 0.000 0.450 525 V N 1.981 121.929 119.914 0.057 0.000 2.332 525 V HA -0.236 3.886 4.120 0.003 0.000 0.248 525 V C 2.467 178.605 176.094 0.073 0.000 1.055 525 V CA 1.286 63.611 62.300 0.040 0.000 1.038 525 V CB -0.489 31.372 31.823 0.063 0.000 0.651 525 V HN 0.225 nan 8.190 nan 0.000 0.450 526 L N 0.993 122.264 121.223 0.079 0.000 2.017 526 L HA -0.172 4.170 4.340 0.003 0.000 0.208 526 L C 2.575 179.530 176.870 0.141 0.000 1.073 526 L CA 2.763 57.654 54.840 0.086 0.000 0.745 526 L CB -1.142 40.959 42.059 0.072 0.000 0.894 526 L HN 0.604 nan 8.230 nan 0.000 0.432 527 K N -0.298 120.174 120.400 0.120 0.000 2.025 527 K HA -0.027 4.294 4.320 0.003 0.000 0.207 527 K C 1.995 178.609 176.600 0.024 0.000 1.049 527 K CA 1.527 57.858 56.287 0.072 0.000 0.933 527 K CB -0.900 31.585 32.500 -0.025 0.000 0.714 527 K HN 0.114 nan 8.250 nan 0.000 0.438 528 A N 0.479 123.297 122.820 -0.004 0.000 1.908 528 A HA -0.177 4.145 4.320 0.003 0.000 0.218 528 A C 2.219 179.819 177.584 0.027 0.000 1.181 528 A CA 1.554 53.578 52.037 -0.023 0.000 0.627 528 A CB -1.043 17.926 19.000 -0.052 0.000 0.818 528 A HN 0.553 nan 8.150 nan 0.000 0.445 529 Y N 0.699 120.982 120.300 -0.028 0.000 2.070 529 Y HA -0.237 4.315 4.550 0.003 0.000 0.280 529 Y C 2.126 178.032 175.900 0.010 0.000 1.148 529 Y CA 1.918 60.017 58.100 -0.003 0.000 1.125 529 Y CB -0.176 38.289 38.460 0.009 0.000 0.975 529 Y HN 0.241 nan 8.280 nan 0.000 0.492 530 I N 0.775 121.455 120.570 0.183 0.000 2.194 530 I HA -0.376 3.795 4.170 0.003 0.000 0.246 530 I C 2.286 178.392 176.117 -0.018 0.000 1.093 530 I CA 1.762 63.115 61.300 0.088 0.000 1.355 530 I CB -1.513 36.554 38.000 0.111 0.000 1.046 530 I HN 0.483 nan 8.210 nan 0.000 0.413 531 Q N 0.704 120.489 119.800 -0.025 0.000 2.096 531 Q HA -0.227 4.115 4.340 0.003 0.000 0.204 531 Q C 2.171 178.127 176.000 -0.073 0.000 0.982 531 Q CA 1.985 57.762 55.803 -0.044 0.000 0.850 531 Q CB -0.129 28.580 28.738 -0.048 0.000 0.901 531 Q HN 0.644 nan 8.270 nan 0.000 0.422 532 K N -0.927 119.401 120.400 -0.121 0.000 2.243 532 K HA 0.129 4.451 4.320 0.003 0.000 0.201 532 K C 1.731 178.230 176.600 -0.167 0.000 1.051 532 K CA 1.124 57.329 56.287 -0.137 0.000 0.970 532 K CB 0.195 32.605 32.500 -0.150 0.000 0.755 532 K HN -0.126 nan 8.250 nan 0.000 0.465 533 S N 1.056 116.609 115.700 -0.245 0.000 2.528 533 S HA 0.009 4.480 4.470 0.003 0.000 0.219 533 S C 0.654 175.220 174.600 -0.057 0.000 0.985 533 S CA -0.170 57.909 58.200 -0.201 0.000 0.914 533 S CB 0.155 63.154 63.200 -0.335 0.000 0.776 533 S HN 0.375 nan 8.310 nan 0.000 0.526 534 S N 2.911 118.586 115.700 -0.042 0.000 2.552 534 S HA 0.181 4.653 4.470 0.003 0.000 0.289 534 S C -2.570 172.029 174.600 -0.001 0.000 1.304 534 S CA -1.016 57.184 58.200 0.000 0.000 1.063 534 S CB 0.163 63.362 63.200 -0.001 0.000 0.848 534 S HN 0.052 nan 8.310 nan 0.000 0.499 535 P HA 0.337 nan 4.420 nan 0.000 0.284 535 P C -0.697 176.644 177.300 0.069 0.000 1.253 535 P CA -0.547 62.576 63.100 0.038 0.000 0.800 535 P CB 0.535 32.255 31.700 0.033 0.000 0.961 536 L N 1.965 123.252 121.223 0.106 0.000 2.467 536 L HA 0.206 4.548 4.340 0.003 0.000 0.270 536 L C 0.682 177.655 176.870 0.172 0.000 1.205 536 L CA 0.522 55.480 54.840 0.197 0.000 0.828 536 L CB 0.218 42.407 42.059 0.217 0.000 1.101 536 L HN 0.349 nan 8.230 nan 0.000 0.479 537 D N 1.030 121.557 120.400 0.212 0.000 2.375 537 D HA 0.160 4.802 4.640 0.003 0.000 0.259 537 D C 0.877 177.275 176.300 0.164 0.000 1.235 537 D CA -0.313 53.762 54.000 0.124 0.000 0.924 537 D CB 1.720 42.544 40.800 0.041 0.000 1.143 537 D HN 0.238 nan 8.370 nan 0.000 0.529 538 V N 2.561 122.595 119.914 0.199 0.000 2.357 538 V HA -0.358 3.764 4.120 0.003 0.000 0.257 538 V C 2.511 178.697 176.094 0.152 0.000 1.082 538 V CA 2.543 64.975 62.300 0.221 0.000 1.078 538 V CB -0.747 31.164 31.823 0.147 0.000 0.663 538 V HN 0.625 nan 8.190 nan 0.000 0.455 539 S N -0.606 115.143 115.700 0.080 0.000 2.440 539 S HA -0.133 4.339 4.470 0.003 0.000 0.238 539 S C 1.704 176.304 174.600 -0.001 0.000 1.010 539 S CA 1.537 59.763 58.200 0.042 0.000 0.972 539 S CB -0.419 62.795 63.200 0.025 0.000 0.774 539 S HN 0.415 nan 8.310 nan 0.000 0.501 540 V N -0.395 119.474 119.914 -0.076 0.000 3.235 540 V HA 0.117 4.239 4.120 0.003 0.000 0.259 540 V C 0.778 176.684 176.094 -0.314 0.000 1.133 540 V CA 0.791 62.948 62.300 -0.238 0.000 1.128 540 V CB -0.903 30.680 31.823 -0.400 0.000 0.757 540 V HN 0.567 nan 8.190 nan 0.000 0.469 541 Y N -0.715 119.631 120.300 0.076 0.000 2.681 541 Y HA 0.476 5.028 4.550 0.003 0.000 0.267 541 Y C 0.673 176.618 175.900 0.075 0.000 1.166 541 Y CA -1.088 57.061 58.100 0.081 0.000 1.209 541 Y CB 0.244 38.757 38.460 0.088 0.000 1.161 541 Y HN 0.098 nan 8.280 nan 0.000 0.534 542 E N 2.404 122.697 120.200 0.155 0.000 2.180 542 E HA 0.251 4.603 4.350 0.003 0.000 0.283 542 E C -2.756 173.907 176.600 0.105 0.000 1.061 542 E CA -2.958 53.516 56.400 0.124 0.000 0.861 542 E CB 0.706 30.458 29.700 0.087 0.000 1.056 542 E HN -0.020 nan 8.360 nan 0.000 0.407 543 P HA 0.071 nan 4.420 nan 0.000 0.268 543 P C -0.984 176.362 177.300 0.075 0.000 1.282 543 P CA 0.207 63.369 63.100 0.103 0.000 0.880 543 P CB 0.242 32.018 31.700 0.127 0.000 0.971 544 K N 2.795 123.227 120.400 0.054 0.000 3.129 544 K HA 0.421 4.743 4.320 0.003 0.000 0.224 544 K C 1.187 177.799 176.600 0.020 0.000 1.249 544 K CA -0.171 56.138 56.287 0.037 0.000 1.177 544 K CB 0.092 32.609 32.500 0.030 0.000 1.393 544 K HN 0.589 nan 8.250 nan 0.000 0.459 545 G N 0.975 109.786 108.800 0.019 0.000 3.400 545 G HA2 -0.410 3.552 3.960 0.003 0.000 0.209 545 G HA3 -0.410 3.552 3.960 0.003 0.000 0.209 545 G C 0.763 175.625 174.900 -0.063 0.000 1.411 545 G CA 0.248 45.342 45.100 -0.010 0.000 0.917 545 G HN 0.401 nan 8.290 nan 0.000 0.570 546 E N 0.163 120.321 120.200 -0.070 0.000 3.044 546 E HA -0.345 4.007 4.350 0.003 0.000 0.196 546 E C 1.918 178.341 176.600 -0.296 0.000 0.925 546 E CA 3.147 59.467 56.400 -0.134 0.000 1.720 546 E CB -1.358 28.286 29.700 -0.093 0.000 1.674 546 E HN 1.790 nan 8.360 nan 0.000 0.402 547 V N -3.265 116.398 119.914 -0.418 0.000 3.610 547 V HA 0.752 4.873 4.120 0.003 0.000 0.285 547 V C 0.493 176.245 176.094 -0.571 0.000 1.012 547 V CA -0.165 61.604 62.300 -0.884 0.000 0.975 547 V CB 1.345 32.502 31.823 -1.112 0.000 1.247 547 V HN 0.792 nan 8.190 nan 0.000 0.424 548 S N -3.074 112.188 115.700 -0.730 0.000 2.684 548 S HA 0.398 4.870 4.470 0.003 0.000 0.268 548 S C -1.887 172.568 174.600 -0.240 0.000 0.982 548 S CA -0.866 57.205 58.200 -0.214 0.000 0.949 548 S CB 0.321 63.461 63.200 -0.100 0.000 1.213 548 S HN 1.132 nan 8.310 nan 0.000 0.468 549 W N 1.337 122.702 121.300 0.109 0.000 3.074 549 W HA 0.679 5.341 4.660 0.004 0.000 0.332 549 W C -0.915 175.658 176.519 0.091 0.000 1.253 549 W CA -0.157 57.271 57.345 0.137 0.000 1.180 549 W CB 1.951 31.505 29.460 0.157 0.000 1.445 549 W HN 1.305 nan 8.180 nan 0.000 0.573 550 Q N 0.000 120.003 119.800 0.338 0.000 2.315 550 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 550 Q CA 0.000 55.922 55.803 0.197 0.000 1.022 550 Q CB 0.000 28.816 28.738 0.131 0.000 1.108 550 Q HN 0.000 nan 8.270 nan 0.000 0.481