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 3hu2_1_F DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNAVVRNN LRVRLGDVIS IQPCPDVKYG DATA SEQUENCE KRIHVLPIDD TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV DATA SEQUENCE EFKVVETDPS PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDIGGCRK DATA SEQUENCE QLAQIKEMVE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE DATA SEQUENCE TGAFFFLING PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP DATA SEQUENCE KREKTHGEVE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG DATA SEQUENCE RFDREVDIGI PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL DATA SEQUENCE AALCSEAALQ AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQSNP DATA SEQUENCE SA 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.871 176.870 0.002 0.000 1.165 12 L CA 0.000 54.840 54.840 0.001 0.000 0.813 12 L CB 0.000 42.061 42.059 0.003 0.000 0.961 13 S N -1.295 114.408 115.700 0.005 0.000 2.468 13 S HA -0.004 4.466 4.470 0.001 0.000 0.226 13 S C 1.760 176.363 174.600 0.004 0.000 1.051 13 S CA 1.044 59.249 58.200 0.008 0.000 0.943 13 S CB -0.536 62.671 63.200 0.012 0.000 0.810 13 S HN 0.469 nan 8.310 nan 0.000 0.509 14 T N 1.856 116.410 114.554 0.000 0.000 3.052 14 T HA 0.053 4.403 4.350 0.001 0.000 0.270 14 T C 1.728 176.424 174.700 -0.007 0.000 1.147 14 T CA 1.130 63.226 62.100 -0.006 0.000 1.089 14 T CB -0.991 67.873 68.868 -0.007 0.000 0.875 14 T HN 0.591 nan 8.240 nan 0.000 0.541 15 A N 1.117 123.935 122.820 -0.004 0.000 1.958 15 A HA -0.127 4.194 4.320 0.001 0.000 0.221 15 A C 2.184 179.764 177.584 -0.006 0.000 1.178 15 A CA 1.809 53.843 52.037 -0.006 0.000 0.642 15 A CB -0.857 18.139 19.000 -0.007 0.000 0.816 15 A HN 0.704 nan 8.150 nan 0.000 0.453 16 I N -0.880 119.688 120.570 -0.004 0.000 2.567 16 I HA -0.184 3.986 4.170 0.001 0.000 0.257 16 I C 1.768 177.881 176.117 -0.006 0.000 1.184 16 I CA 1.092 62.392 61.300 0.001 0.000 1.451 16 I CB 0.015 38.023 38.000 0.014 0.000 1.089 16 I HN 0.344 nan 8.210 nan 0.000 0.441 17 L N 0.048 121.262 121.223 -0.016 0.000 2.446 17 L HA 0.048 4.388 4.340 0.001 0.000 0.219 17 L C 1.172 178.035 176.870 -0.011 0.000 1.116 17 L CA 0.016 54.841 54.840 -0.025 0.000 0.844 17 L CB -0.376 41.658 42.059 -0.041 0.000 0.970 17 L HN 0.042 nan 8.230 nan 0.000 0.457 18 K N 0.937 121.333 120.400 -0.006 0.000 2.448 18 K HA -0.057 4.263 4.320 0.001 0.000 0.278 18 K C 1.051 177.652 176.600 0.002 0.000 1.009 18 K CA 0.046 56.332 56.287 -0.002 0.000 0.995 18 K CB 0.739 33.237 32.500 -0.004 0.000 0.917 18 K HN 0.134 nan 8.250 nan 0.000 0.481 19 Q N 2.206 122.009 119.800 0.004 0.000 2.112 19 Q HA -0.200 4.141 4.340 0.001 0.000 0.206 19 Q C -0.331 175.674 176.000 0.008 0.000 0.987 19 Q CA 1.366 57.175 55.803 0.009 0.000 0.858 19 Q CB -0.109 28.634 28.738 0.008 0.000 0.905 19 Q HN 0.507 nan 8.270 nan 0.000 0.420 20 K N 1.586 121.988 120.400 0.004 0.000 6.536 20 K HA -0.105 4.215 4.320 0.001 0.000 0.703 20 K C -1.266 175.336 176.600 0.003 0.000 1.892 20 K CA 0.158 56.446 56.287 0.002 0.000 1.651 20 K CB -0.698 31.802 32.500 0.001 0.000 1.852 20 K HN 0.234 nan 8.250 nan 0.000 0.324 21 N N 3.345 122.046 118.700 0.001 0.000 2.468 21 N HA 0.153 4.893 4.740 0.001 0.000 0.265 21 N C -0.125 175.384 175.510 -0.000 0.000 1.199 21 N CA 0.204 53.254 53.050 0.001 0.000 0.928 21 N CB 0.605 39.092 38.487 -0.001 0.000 1.059 21 N HN 0.319 nan 8.380 nan 0.000 0.467 22 R N 2.222 122.723 120.500 0.000 0.000 2.725 22 R HA 0.344 4.684 4.340 0.001 0.000 0.277 22 R C -1.463 174.835 176.300 -0.003 0.000 0.987 22 R CA -1.391 54.708 56.100 -0.001 0.000 0.901 22 R CB 1.619 31.920 30.300 0.001 0.000 1.207 22 R HN 0.248 nan 8.270 nan 0.000 0.463 23 P HA -0.297 nan 4.420 nan 0.000 0.222 23 P C 0.204 177.498 177.300 -0.010 0.000 1.155 23 P CA 1.710 64.805 63.100 -0.009 0.000 0.890 23 P CB 0.140 31.833 31.700 -0.012 0.000 0.790 24 N N -1.856 116.839 118.700 -0.009 0.000 2.254 24 N HA -0.029 4.712 4.740 0.001 0.000 0.190 24 N C 0.742 176.249 175.510 -0.005 0.000 1.107 24 N CA -0.074 52.970 53.050 -0.010 0.000 0.869 24 N CB -0.060 38.419 38.487 -0.013 0.000 0.983 24 N HN 0.058 nan 8.380 nan 0.000 0.487 25 R N 1.100 121.599 120.500 -0.001 0.000 2.291 25 R HA 0.338 4.678 4.340 0.001 0.000 0.333 25 R C -0.864 175.437 176.300 0.002 0.000 1.082 25 R CA 0.014 56.116 56.100 0.003 0.000 0.948 25 R CB 0.191 30.494 30.300 0.006 0.000 1.009 25 R HN 0.166 nan 8.270 nan 0.000 0.460 26 L N 4.947 126.171 121.223 0.002 0.000 2.381 26 L HA 0.485 4.825 4.340 0.001 0.000 0.268 26 L C -0.211 176.661 176.870 0.003 0.000 0.997 26 L CA -0.904 53.937 54.840 0.001 0.000 0.818 26 L CB 2.249 44.307 42.059 -0.001 0.000 1.310 26 L HN 0.481 nan 8.230 nan 0.000 0.416 27 I N 2.777 123.349 120.570 0.004 0.000 2.471 27 I HA 0.081 4.251 4.170 0.001 0.000 0.286 27 I C 0.212 176.333 176.117 0.005 0.000 1.079 27 I CA -0.569 60.734 61.300 0.005 0.000 1.398 27 I CB 1.334 39.337 38.000 0.005 0.000 1.403 27 I HN 0.319 nan 8.210 nan 0.000 0.530 28 V N 3.217 123.135 119.914 0.006 0.000 2.421 28 V HA 0.249 4.369 4.120 0.001 0.000 0.271 28 V C -0.124 175.974 176.094 0.007 0.000 1.031 28 V CA -0.289 62.015 62.300 0.007 0.000 1.032 28 V CB 0.689 32.517 31.823 0.008 0.000 1.009 28 V HN 0.586 nan 8.190 nan 0.000 0.477 29 D N 3.112 123.516 120.400 0.007 0.000 2.272 29 D HA 0.332 4.972 4.640 0.001 0.000 0.247 29 D C -0.143 176.162 176.300 0.009 0.000 0.990 29 D CA -0.600 53.405 54.000 0.007 0.000 0.931 29 D CB 2.142 42.946 40.800 0.007 0.000 1.195 29 D HN 0.859 nan 8.370 nan 0.000 0.477 30 E N 0.246 120.452 120.200 0.009 0.000 2.384 30 E HA 0.394 4.744 4.350 0.001 0.000 0.266 30 E C -1.032 175.575 176.600 0.011 0.000 1.012 30 E CA -0.340 56.067 56.400 0.011 0.000 0.901 30 E CB 0.714 30.421 29.700 0.010 0.000 0.967 30 E HN 0.352 nan 8.360 nan 0.000 0.435 31 A N 4.538 127.366 122.820 0.014 0.000 2.363 31 A HA 0.341 4.661 4.320 0.001 0.000 0.270 31 A C 1.063 178.655 177.584 0.013 0.000 1.121 31 A CA -0.112 51.934 52.037 0.014 0.000 0.800 31 A CB -0.044 18.966 19.000 0.017 0.000 1.052 31 A HN 0.825 nan 8.150 nan 0.000 0.493 32 I N 0.280 120.857 120.570 0.011 0.000 2.703 32 I HA 0.094 4.265 4.170 0.001 0.000 0.259 32 I C 0.686 176.810 176.117 0.011 0.000 1.151 32 I CA 0.367 61.673 61.300 0.010 0.000 1.470 32 I CB -0.069 37.936 38.000 0.008 0.000 1.112 32 I HN 0.488 nan 8.210 nan 0.000 0.437 33 N N 2.508 121.215 118.700 0.011 0.000 2.415 33 N HA 0.015 4.756 4.740 0.001 0.000 0.246 33 N C 0.222 175.741 175.510 0.015 0.000 1.078 33 N CA 0.254 53.310 53.050 0.011 0.000 0.942 33 N CB 0.999 39.491 38.487 0.008 0.000 1.140 33 N HN 0.263 nan 8.380 nan 0.000 0.501 34 E N 1.348 121.559 120.200 0.018 0.000 2.476 34 E HA 0.002 4.352 4.350 0.001 0.000 0.191 34 E C -0.638 175.985 176.600 0.038 0.000 1.064 34 E CA -0.052 56.364 56.400 0.028 0.000 0.866 34 E CB -0.044 29.672 29.700 0.027 0.000 0.952 34 E HN 0.550 nan 8.360 nan 0.000 0.492 35 D N -0.626 119.790 120.400 0.027 0.000 2.345 35 D HA 0.033 4.673 4.640 0.001 0.000 0.247 35 D C 0.833 177.159 176.300 0.044 0.000 1.108 35 D CA -0.050 53.967 54.000 0.028 0.000 0.894 35 D CB 0.756 41.548 40.800 -0.014 0.000 1.203 35 D HN -0.117 nan 8.370 nan 0.000 0.430 36 N N 1.355 120.106 118.700 0.086 0.000 2.205 36 N HA -0.126 4.614 4.740 0.001 0.000 0.186 36 N C 1.047 176.593 175.510 0.061 0.000 1.015 36 N CA 0.669 53.788 53.050 0.114 0.000 0.862 36 N CB -0.034 38.595 38.487 0.237 0.000 0.986 36 N HN 0.230 nan 8.380 nan 0.000 0.429 37 S N -0.261 115.441 115.700 0.004 0.000 2.593 37 S HA 0.127 4.598 4.470 0.001 0.000 0.217 37 S C 0.404 175.001 174.600 -0.005 0.000 0.966 37 S CA -0.248 57.944 58.200 -0.013 0.000 0.914 37 S CB 0.434 63.599 63.200 -0.059 0.000 0.776 37 S HN 0.066 nan 8.310 nan 0.000 0.523 38 V N 2.443 122.358 119.914 0.002 0.000 2.540 38 V HA 0.697 4.818 4.120 0.001 0.000 0.302 38 V C -0.789 175.309 176.094 0.008 0.000 1.035 38 V CA -0.676 61.626 62.300 0.002 0.000 0.873 38 V CB 1.783 33.606 31.823 -0.001 0.000 0.992 38 V HN 0.115 nan 8.190 nan 0.000 0.428 39 V N 3.625 123.541 119.914 0.004 0.000 2.715 39 V HA 0.846 4.967 4.120 0.001 0.000 0.310 39 V C -0.213 175.883 176.094 0.003 0.000 1.054 39 V CA -0.426 61.876 62.300 0.004 0.000 0.928 39 V CB 1.938 33.761 31.823 -0.001 0.000 1.007 39 V HN 0.814 nan 8.190 nan 0.000 0.437 40 S N 4.181 119.884 115.700 0.005 0.000 2.482 40 S HA 0.840 5.311 4.470 0.001 0.000 0.303 40 S C -0.585 174.018 174.600 0.004 0.000 1.091 40 S CA -0.595 57.608 58.200 0.006 0.000 1.057 40 S CB 1.255 64.459 63.200 0.007 0.000 1.031 40 S HN 0.715 nan 8.310 nan 0.000 0.485 41 L N 1.838 123.064 121.223 0.005 0.000 2.333 41 L HA 0.600 4.940 4.340 0.001 0.000 0.263 41 L C 0.520 177.394 176.870 0.007 0.000 1.014 41 L CA -0.972 53.870 54.840 0.004 0.000 0.820 41 L CB 2.058 44.116 42.059 -0.000 0.000 1.352 41 L HN 0.744 nan 8.230 nan 0.000 0.421 42 S N 0.005 115.709 115.700 0.006 0.000 2.579 42 S HA 0.003 4.473 4.470 0.001 0.000 0.275 42 S C 0.630 175.236 174.600 0.011 0.000 1.345 42 S CA -0.212 57.993 58.200 0.008 0.000 1.031 42 S CB 1.477 64.681 63.200 0.007 0.000 0.892 42 S HN 0.686 nan 8.310 nan 0.000 0.529 43 Q N 2.110 121.918 119.800 0.015 0.000 2.096 43 Q HA 0.036 4.376 4.340 0.001 0.000 0.204 43 Q C -0.977 175.035 176.000 0.020 0.000 0.982 43 Q CA 2.032 57.847 55.803 0.021 0.000 0.850 43 Q CB -1.634 27.117 28.738 0.022 0.000 0.901 43 Q HN 0.716 nan 8.270 nan 0.000 0.422 44 P HA -0.075 nan 4.420 nan 0.000 0.226 44 P C 0.492 177.797 177.300 0.008 0.000 1.153 44 P CA 1.139 64.247 63.100 0.012 0.000 0.777 44 P CB 0.100 31.805 31.700 0.009 0.000 0.794 45 K N -0.292 120.111 120.400 0.005 0.000 2.137 45 K HA 0.102 4.422 4.320 0.001 0.000 0.202 45 K C 1.948 178.543 176.600 -0.008 0.000 1.052 45 K CA 1.230 57.516 56.287 -0.002 0.000 0.961 45 K CB -0.871 31.627 32.500 -0.002 0.000 0.741 45 K HN 0.011 nan 8.250 nan 0.000 0.452 46 M N 0.254 119.854 119.600 -0.001 0.000 2.175 46 M HA -0.141 4.339 4.480 0.001 0.000 0.264 46 M C 1.174 177.467 176.300 -0.012 0.000 1.063 46 M CA 1.892 57.188 55.300 -0.006 0.000 1.119 46 M CB -0.315 32.296 32.600 0.019 0.000 1.377 46 M HN 0.109 nan 8.290 nan 0.000 0.415 47 D N 0.175 120.583 120.400 0.014 0.000 2.144 47 D HA -0.172 4.468 4.640 0.001 0.000 0.199 47 D C 1.950 178.246 176.300 -0.007 0.000 0.984 47 D CA 1.055 55.069 54.000 0.023 0.000 0.834 47 D CB -0.003 40.819 40.800 0.037 0.000 0.955 47 D HN 0.350 nan 8.370 nan 0.000 0.465 48 E N -0.073 120.119 120.200 -0.013 0.000 2.072 48 E HA -0.101 4.250 4.350 0.001 0.000 0.191 48 E C 1.628 178.205 176.600 -0.037 0.000 0.985 48 E CA 0.604 56.993 56.400 -0.018 0.000 0.801 48 E CB 0.078 29.771 29.700 -0.013 0.000 0.750 48 E HN 0.299 nan 8.360 nan 0.000 0.452 49 L N 0.406 121.598 121.223 -0.053 0.000 2.591 49 L HA 0.067 4.407 4.340 0.001 0.000 0.228 49 L C 0.321 177.116 176.870 -0.125 0.000 1.133 49 L CA 0.123 54.920 54.840 -0.073 0.000 0.880 49 L CB 0.070 42.091 42.059 -0.064 0.000 1.033 49 L HN 0.099 nan 8.230 nan 0.000 0.450 50 Q N 0.905 120.612 119.800 -0.154 0.000 2.453 50 Q HA -0.183 4.158 4.340 0.001 0.000 0.330 50 Q C -0.846 174.866 176.000 -0.480 0.000 1.417 50 Q CA 0.423 56.043 55.803 -0.304 0.000 0.902 50 Q CB -1.371 27.208 28.738 -0.266 0.000 1.154 50 Q HN 0.438 nan 8.270 nan 0.000 0.395 51 L N 1.186 122.199 121.223 -0.350 0.000 2.316 51 L HA 0.518 4.858 4.340 0.001 0.000 0.280 51 L C 0.197 176.959 176.870 -0.180 0.000 1.006 51 L CA -0.515 54.150 54.840 -0.292 0.000 0.836 51 L CB 0.685 42.665 42.059 -0.131 0.000 1.221 51 L HN 0.097 nan 8.230 nan 0.000 0.418 52 F N 1.266 121.210 119.950 -0.010 0.000 2.375 52 F HA 0.371 4.898 4.527 0.001 0.000 0.313 52 F C 1.164 176.957 175.800 -0.012 0.000 1.176 52 F CA -0.890 57.104 58.000 -0.011 0.000 1.142 52 F CB 0.522 39.516 39.000 -0.011 0.000 1.275 52 F HN 0.411 nan 8.300 nan 0.000 0.544 53 R N 0.557 121.184 120.500 0.212 0.000 2.484 53 R HA 0.231 4.572 4.340 0.001 0.000 0.293 53 R C 0.860 177.209 176.300 0.081 0.000 1.023 53 R CA 1.162 57.323 56.100 0.101 0.000 1.037 53 R CB -0.131 30.207 30.300 0.064 0.000 0.951 53 R HN 0.957 nan 8.270 nan 0.000 0.418 54 G N 3.050 111.880 108.800 0.050 0.000 2.195 54 G HA2 -0.223 3.737 3.960 0.001 0.000 0.246 54 G HA3 -0.223 3.737 3.960 0.001 0.000 0.246 54 G C -0.291 174.625 174.900 0.028 0.000 0.984 54 G CA 0.062 45.182 45.100 0.033 0.000 0.633 54 G HN 0.654 nan 8.290 nan 0.000 0.525 55 D N 2.320 122.742 120.400 0.036 0.000 2.425 55 D HA 0.396 5.036 4.640 0.001 0.000 0.247 55 D C 1.195 177.490 176.300 -0.009 0.000 1.147 55 D CA 1.107 55.116 54.000 0.015 0.000 0.879 55 D CB 0.979 41.783 40.800 0.006 0.000 1.179 55 D HN 0.457 nan 8.370 nan 0.000 0.456 56 T N -0.844 113.699 114.554 -0.018 0.000 2.799 56 T HA 0.375 4.725 4.350 0.001 0.000 0.296 56 T C 0.497 175.164 174.700 -0.055 0.000 0.947 56 T CA -0.867 61.213 62.100 -0.034 0.000 1.141 56 T CB 0.515 69.362 68.868 -0.034 0.000 0.891 56 T HN 0.194 nan 8.240 nan 0.000 0.533 57 V N 1.349 121.222 119.914 -0.068 0.000 2.919 57 V HA 0.828 4.949 4.120 0.001 0.000 0.316 57 V C -0.590 175.430 176.094 -0.123 0.000 1.077 57 V CA -1.524 60.727 62.300 -0.082 0.000 0.977 57 V CB 1.689 33.476 31.823 -0.060 0.000 1.039 57 V HN 0.819 nan 8.190 nan 0.000 0.441 58 L N 3.466 124.612 121.223 -0.129 0.000 2.287 58 L HA 0.662 5.002 4.340 0.001 0.000 0.287 58 L C -0.732 176.081 176.870 -0.096 0.000 1.022 58 L CA -0.184 54.556 54.840 -0.165 0.000 0.814 58 L CB 0.859 42.807 42.059 -0.186 0.000 1.217 58 L HN 0.736 nan 8.230 nan 0.000 0.420 59 L N 5.237 126.409 121.223 -0.085 0.000 2.309 59 L HA 0.542 4.883 4.340 0.001 0.000 0.282 59 L C -0.175 176.677 176.870 -0.029 0.000 1.036 59 L CA -0.658 54.156 54.840 -0.044 0.000 0.806 59 L CB 1.314 43.354 42.059 -0.031 0.000 1.220 59 L HN 0.536 nan 8.230 nan 0.000 0.429 60 K N 1.848 122.241 120.400 -0.012 0.000 2.425 60 K HA 0.471 4.791 4.320 0.001 0.000 0.259 60 K C 0.198 176.804 176.600 0.009 0.000 0.978 60 K CA -0.359 55.930 56.287 0.003 0.000 0.883 60 K CB 2.019 34.526 32.500 0.011 0.000 1.110 60 K HN 0.764 nan 8.250 nan 0.000 0.436 61 G N 2.311 111.117 108.800 0.011 0.000 2.829 61 G HA2 0.247 4.207 3.960 0.001 0.000 0.173 61 G HA3 0.247 4.207 3.960 0.001 0.000 0.173 61 G C -0.544 174.364 174.900 0.014 0.000 1.476 61 G CA -0.409 44.698 45.100 0.012 0.000 1.072 61 G HN 0.370 nan 8.290 nan 0.000 0.577 62 K N -0.154 120.250 120.400 0.008 0.000 2.098 62 K HA 0.406 4.726 4.320 0.001 0.000 0.258 62 K C -0.583 176.006 176.600 -0.019 0.000 0.973 62 K CA -0.485 55.803 56.287 0.002 0.000 0.898 62 K CB 1.302 33.801 32.500 -0.000 0.000 1.057 62 K HN 0.382 nan 8.250 nan 0.000 0.447 63 K N 1.487 121.862 120.400 -0.042 0.000 3.393 63 K HA -0.286 4.035 4.320 0.001 0.000 0.272 63 K C 0.083 176.649 176.600 -0.057 0.000 1.004 63 K CA 0.859 57.094 56.287 -0.086 0.000 0.764 63 K CB -1.041 31.396 32.500 -0.105 0.000 1.373 63 K HN 0.860 nan 8.250 nan 0.000 0.458 64 R N -1.233 119.249 120.500 -0.030 0.000 3.789 64 R HA -0.224 4.116 4.340 0.001 0.000 0.414 64 R C -0.386 175.921 176.300 0.011 0.000 0.593 64 R CA 2.023 58.119 56.100 -0.006 0.000 1.562 64 R CB -0.559 29.730 30.300 -0.018 0.000 2.091 64 R HN 0.385 nan 8.270 nan 0.000 0.382 65 R N 2.044 122.546 120.500 0.004 0.000 2.640 65 R HA 0.141 4.481 4.340 0.001 0.000 0.270 65 R C -0.139 176.175 176.300 0.023 0.000 1.024 65 R CA 0.799 56.908 56.100 0.016 0.000 1.085 65 R CB 0.308 30.613 30.300 0.009 0.000 0.963 65 R HN 0.449 nan 8.270 nan 0.000 0.426 66 E N -0.412 119.808 120.200 0.033 0.000 2.416 66 E HA 0.741 5.092 4.350 0.001 0.000 0.273 66 E C -1.308 175.303 176.600 0.019 0.000 0.935 66 E CA -0.986 55.427 56.400 0.021 0.000 0.784 66 E CB 2.463 32.183 29.700 0.033 0.000 1.301 66 E HN 0.641 nan 8.360 nan 0.000 0.454 67 A N 0.573 123.383 122.820 -0.017 0.000 2.574 67 A HA 0.573 4.893 4.320 0.001 0.000 0.297 67 A C -1.301 176.233 177.584 -0.083 0.000 1.062 67 A CA -0.757 51.270 52.037 -0.016 0.000 0.686 67 A CB 1.301 20.311 19.000 0.016 0.000 1.285 67 A HN 0.360 nan 8.150 nan 0.000 0.403 68 V N -1.165 118.695 119.914 -0.091 0.000 2.384 68 V HA 0.773 4.894 4.120 0.001 0.000 0.287 68 V C -0.160 175.898 176.094 -0.059 0.000 1.020 68 V CA -0.721 61.495 62.300 -0.139 0.000 0.850 68 V CB 0.108 31.786 31.823 -0.243 0.000 0.987 68 V HN 1.022 nan 8.190 nan 0.000 0.436 69 C N 4.513 123.779 119.300 -0.057 0.000 3.080 69 C HA 0.689 5.150 4.460 0.001 0.000 0.307 69 C C -0.025 174.950 174.990 -0.024 0.000 1.311 69 C CA -0.764 58.239 59.018 -0.026 0.000 1.533 69 C CB 1.996 29.727 27.740 -0.016 0.000 1.970 69 C HN 0.899 nan 8.230 nan 0.000 0.467 70 I N 1.626 122.190 120.570 -0.010 0.000 2.365 70 I HA 0.376 4.546 4.170 0.001 0.000 0.291 70 I C -0.015 176.100 176.117 -0.003 0.000 1.004 70 I CA -0.099 61.199 61.300 -0.004 0.000 1.311 70 I CB 1.079 39.083 38.000 0.006 0.000 1.401 70 I HN 0.307 nan 8.210 nan 0.000 0.491 71 V N 8.155 128.067 119.914 -0.002 0.000 2.407 71 V HA 0.514 4.634 4.120 0.001 0.000 0.278 71 V C -0.317 175.785 176.094 0.013 0.000 1.037 71 V CA -0.266 62.034 62.300 0.001 0.000 0.900 71 V CB 1.170 32.988 31.823 -0.008 0.000 0.983 71 V HN 0.505 nan 8.190 nan 0.000 0.459 72 L N 5.597 126.827 121.223 0.012 0.000 2.354 72 L HA 0.612 4.952 4.340 0.001 0.000 0.264 72 L C 0.238 177.118 176.870 0.017 0.000 1.008 72 L CA -0.745 54.105 54.840 0.017 0.000 0.819 72 L CB 2.534 44.600 42.059 0.013 0.000 1.339 72 L HN 0.711 nan 8.230 nan 0.000 0.420 73 S N -0.423 115.289 115.700 0.021 0.000 2.572 73 S HA 0.347 4.817 4.470 0.001 0.000 0.279 73 S C -0.721 173.887 174.600 0.013 0.000 1.341 73 S CA -0.508 57.704 58.200 0.019 0.000 1.043 73 S CB 1.421 64.635 63.200 0.023 0.000 0.887 73 S HN 0.626 nan 8.310 nan 0.000 0.516 74 D N -0.023 120.384 120.400 0.012 0.000 2.964 74 D HA 0.368 5.009 4.640 0.001 0.000 0.234 74 D C -0.395 175.910 176.300 0.009 0.000 1.223 74 D CA -0.586 53.420 54.000 0.009 0.000 0.889 74 D CB 1.987 42.792 40.800 0.008 0.000 1.609 74 D HN 0.376 nan 8.370 nan 0.000 0.523 75 D N 0.779 121.184 120.400 0.008 0.000 2.120 75 D HA -0.073 4.567 4.640 0.001 0.000 0.202 75 D C 1.598 177.902 176.300 0.006 0.000 0.972 75 D CA 1.006 55.010 54.000 0.007 0.000 0.837 75 D CB -0.146 40.658 40.800 0.006 0.000 0.989 75 D HN 0.420 nan 8.370 nan 0.000 0.469 76 T N -0.435 114.123 114.554 0.006 0.000 3.051 76 T HA -0.069 4.281 4.350 0.001 0.000 0.269 76 T C 0.789 175.493 174.700 0.006 0.000 1.127 76 T CA 0.175 62.279 62.100 0.005 0.000 1.107 76 T CB -0.507 68.364 68.868 0.005 0.000 0.898 76 T HN 0.172 nan 8.240 nan 0.000 0.517 77 C N 2.480 121.783 119.300 0.006 0.000 2.527 77 C HA 0.640 5.101 4.460 0.001 0.000 0.396 77 C C 0.861 175.854 174.990 0.005 0.000 1.289 77 C CA -0.881 58.141 59.018 0.006 0.000 2.047 77 C CB -0.206 27.538 27.740 0.006 0.000 2.568 77 C HN 0.470 nan 8.230 nan 0.000 0.573 78 S N 4.095 119.798 115.700 0.005 0.000 2.600 78 S HA 0.088 4.558 4.470 0.001 0.000 0.265 78 S C 0.793 175.395 174.600 0.004 0.000 1.325 78 S CA -0.315 57.887 58.200 0.004 0.000 1.002 78 S CB 0.922 64.124 63.200 0.004 0.000 0.921 78 S HN 0.872 nan 8.310 nan 0.000 0.554 79 D N 1.169 121.571 120.400 0.003 0.000 2.104 79 D HA -0.094 4.546 4.640 0.001 0.000 0.194 79 D C 1.242 177.542 176.300 0.001 0.000 0.994 79 D CA 1.210 55.212 54.000 0.003 0.000 0.830 79 D CB 0.059 40.861 40.800 0.002 0.000 0.959 79 D HN 0.443 nan 8.370 nan 0.000 0.452 80 E N 0.253 120.454 120.200 0.001 0.000 2.437 80 E HA 0.121 4.471 4.350 0.001 0.000 0.189 80 E C -0.004 176.597 176.600 0.002 0.000 1.054 80 E CA 0.205 56.606 56.400 0.001 0.000 0.874 80 E CB 0.284 29.985 29.700 0.001 0.000 1.011 80 E HN 0.306 nan 8.360 nan 0.000 0.474 81 K N 0.517 120.918 120.400 0.002 0.000 2.281 81 K HA 0.596 4.916 4.320 0.001 0.000 0.242 81 K C -0.573 176.029 176.600 0.002 0.000 0.971 81 K CA -0.790 55.499 56.287 0.003 0.000 0.834 81 K CB 2.497 34.999 32.500 0.004 0.000 1.181 81 K HN -0.070 nan 8.250 nan 0.000 0.435 82 I N 1.153 121.725 120.570 0.003 0.000 2.499 82 I HA 0.326 4.496 4.170 0.001 0.000 0.288 82 I C -1.078 175.042 176.117 0.005 0.000 1.048 82 I CA -0.725 60.577 61.300 0.003 0.000 1.062 82 I CB 1.199 39.199 38.000 0.000 0.000 1.238 82 I HN 0.462 nan 8.210 nan 0.000 0.426 83 R N 8.943 129.446 120.500 0.006 0.000 2.207 83 R HA 0.612 4.953 4.340 0.001 0.000 0.334 83 R C -0.954 175.352 176.300 0.010 0.000 1.013 83 R CA -0.447 55.658 56.100 0.008 0.000 0.858 83 R CB 1.252 31.557 30.300 0.008 0.000 1.094 83 R HN 0.657 nan 8.270 nan 0.000 0.457 84 M N 0.474 120.082 119.600 0.013 0.000 2.433 84 M HA 0.348 4.828 4.480 0.001 0.000 0.290 84 M C -0.836 175.477 176.300 0.022 0.000 1.173 84 M CA -1.219 54.091 55.300 0.018 0.000 0.905 84 M CB 2.088 34.698 32.600 0.017 0.000 1.692 84 M HN 0.403 nan 8.290 nan 0.000 0.462 85 N N 1.934 120.651 118.700 0.029 0.000 2.294 85 N HA 0.528 5.268 4.740 0.001 0.000 0.248 85 N C 0.948 176.479 175.510 0.035 0.000 1.300 85 N CA -0.064 53.006 53.050 0.033 0.000 0.925 85 N CB 0.657 39.168 38.487 0.041 0.000 1.188 85 N HN 0.818 nan 8.380 nan 0.000 0.512 86 A N -0.138 122.703 122.820 0.034 0.000 1.940 86 A HA -0.118 4.202 4.320 0.001 0.000 0.219 86 A C 2.087 179.695 177.584 0.039 0.000 1.176 86 A CA 1.484 53.540 52.037 0.031 0.000 0.631 86 A CB -1.084 17.931 19.000 0.025 0.000 0.814 86 A HN 0.477 nan 8.150 nan 0.000 0.446 87 V N -0.460 119.487 119.914 0.056 0.000 2.307 87 V HA -0.212 3.908 4.120 0.001 0.000 0.245 87 V C 2.596 178.736 176.094 0.078 0.000 1.045 87 V CA 1.996 64.342 62.300 0.077 0.000 1.024 87 V CB -0.653 31.240 31.823 0.118 0.000 0.651 87 V HN 0.392 nan 8.190 nan 0.000 0.449 88 V N -0.267 119.690 119.914 0.070 0.000 2.343 88 V HA -0.252 3.869 4.120 0.001 0.000 0.247 88 V C 2.538 178.657 176.094 0.041 0.000 1.051 88 V CA 2.000 64.334 62.300 0.058 0.000 1.036 88 V CB -0.854 30.995 31.823 0.044 0.000 0.654 88 V HN 0.429 nan 8.190 nan 0.000 0.451 89 R N 0.129 120.649 120.500 0.034 0.000 2.091 89 R HA -0.220 4.120 4.340 0.001 0.000 0.238 89 R C 2.300 178.613 176.300 0.022 0.000 1.136 89 R CA 2.036 58.151 56.100 0.024 0.000 0.959 89 R CB -0.468 29.844 30.300 0.020 0.000 0.856 89 R HN 0.591 nan 8.270 nan 0.000 0.437 90 N N 0.540 119.256 118.700 0.027 0.000 2.120 90 N HA -0.137 4.603 4.740 0.001 0.000 0.188 90 N C 1.173 176.699 175.510 0.027 0.000 1.024 90 N CA 1.651 54.715 53.050 0.022 0.000 0.852 90 N CB -0.097 38.405 38.487 0.024 0.000 1.003 90 N HN 0.243 nan 8.380 nan 0.000 0.424 91 N N -0.658 118.068 118.700 0.044 0.000 2.223 91 N HA -0.042 4.699 4.740 0.001 0.000 0.185 91 N C 0.895 176.427 175.510 0.036 0.000 1.016 91 N CA 0.624 53.705 53.050 0.051 0.000 0.863 91 N CB 0.017 38.551 38.487 0.079 0.000 0.983 91 N HN 0.250 nan 8.380 nan 0.000 0.429 92 L N 0.558 121.797 121.223 0.027 0.000 2.591 92 L HA 0.199 4.540 4.340 0.001 0.000 0.228 92 L C -0.015 176.860 176.870 0.009 0.000 1.133 92 L CA -0.094 54.756 54.840 0.017 0.000 0.880 92 L CB 0.066 42.134 42.059 0.015 0.000 1.033 92 L HN 0.085 nan 8.230 nan 0.000 0.450 93 R N 0.328 120.833 120.500 0.007 0.000 3.264 93 R HA -0.129 4.212 4.340 0.001 0.000 0.251 93 R C -0.698 175.601 176.300 -0.002 0.000 0.971 93 R CA 0.714 56.812 56.100 -0.003 0.000 0.658 93 R CB -2.536 27.755 30.300 -0.014 0.000 1.095 93 R HN 0.282 nan 8.270 nan 0.000 0.443 94 V N -1.454 118.463 119.914 0.004 0.000 2.638 94 V HA 0.745 4.865 4.120 0.001 0.000 0.306 94 V C 0.579 176.677 176.094 0.006 0.000 1.052 94 V CA -1.355 60.949 62.300 0.005 0.000 0.885 94 V CB 2.706 34.534 31.823 0.009 0.000 0.999 94 V HN 0.275 nan 8.190 nan 0.000 0.424 95 R N 3.461 123.963 120.500 0.004 0.000 2.532 95 R HA 0.618 4.958 4.340 0.001 0.000 0.272 95 R C -0.577 175.727 176.300 0.006 0.000 1.032 95 R CA -0.887 55.216 56.100 0.005 0.000 1.089 95 R CB 0.601 30.903 30.300 0.002 0.000 1.098 95 R HN 0.720 nan 8.270 nan 0.000 0.526 96 L N 1.085 122.312 121.223 0.007 0.000 2.615 96 L HA 0.092 4.432 4.340 0.001 0.000 0.284 96 L C 1.500 178.374 176.870 0.006 0.000 1.237 96 L CA 1.957 56.802 54.840 0.007 0.000 0.905 96 L CB -0.226 41.837 42.059 0.007 0.000 1.149 96 L HN 1.034 nan 8.230 nan 0.000 0.499 97 G N 1.042 109.846 108.800 0.007 0.000 2.149 97 G HA2 -0.200 3.761 3.960 0.001 0.000 0.235 97 G HA3 -0.200 3.761 3.960 0.001 0.000 0.235 97 G C -0.193 174.712 174.900 0.008 0.000 1.018 97 G CA -0.311 44.793 45.100 0.007 0.000 0.728 97 G HN 0.579 nan 8.290 nan 0.000 0.508 98 D N -0.244 120.161 120.400 0.008 0.000 2.198 98 D HA 0.544 5.184 4.640 0.001 0.000 0.247 98 D C 0.934 177.241 176.300 0.011 0.000 1.010 98 D CA 0.006 54.013 54.000 0.010 0.000 0.880 98 D CB 2.053 42.859 40.800 0.011 0.000 1.209 98 D HN 0.684 nan 8.370 nan 0.000 0.451 99 V N -0.222 119.700 119.914 0.013 0.000 2.583 99 V HA 0.589 4.709 4.120 0.001 0.000 0.287 99 V C 0.134 176.236 176.094 0.013 0.000 1.051 99 V CA -0.489 61.818 62.300 0.012 0.000 1.010 99 V CB 0.328 32.159 31.823 0.013 0.000 0.988 99 V HN 0.440 nan 8.190 nan 0.000 0.478 100 I N 1.600 122.176 120.570 0.010 0.000 2.828 100 I HA 0.768 4.938 4.170 0.001 0.000 0.302 100 I C -0.082 176.038 176.117 0.006 0.000 1.101 100 I CA -0.717 60.589 61.300 0.009 0.000 1.031 100 I CB 2.214 40.217 38.000 0.005 0.000 1.231 100 I HN 0.458 nan 8.210 nan 0.000 0.427 101 S N 4.644 120.347 115.700 0.006 0.000 2.452 101 S HA 0.554 5.025 4.470 0.001 0.000 0.284 101 S C -0.283 174.312 174.600 -0.008 0.000 1.171 101 S CA -0.349 57.852 58.200 0.002 0.000 1.064 101 S CB 0.407 63.612 63.200 0.008 0.000 0.967 101 S HN 0.621 nan 8.310 nan 0.000 0.484 102 I N 3.534 124.096 120.570 -0.013 0.000 2.353 102 I HA 0.362 4.532 4.170 0.001 0.000 0.293 102 I C -0.288 175.812 176.117 -0.029 0.000 0.992 102 I CA -0.336 60.950 61.300 -0.024 0.000 1.268 102 I CB 1.032 39.017 38.000 -0.025 0.000 1.387 102 I HN 0.551 nan 8.210 nan 0.000 0.478 103 Q N 8.747 128.524 119.800 -0.038 0.000 2.356 103 Q HA 0.534 4.875 4.340 0.001 0.000 0.270 103 Q C -2.552 173.417 176.000 -0.052 0.000 1.058 103 Q CA -2.160 53.620 55.803 -0.038 0.000 0.802 103 Q CB 2.345 31.066 28.738 -0.029 0.000 1.303 103 Q HN 0.328 nan 8.270 nan 0.000 0.444 104 P HA -0.040 nan 4.420 nan 0.000 0.264 104 P C -0.724 176.548 177.300 -0.048 0.000 1.193 104 P CA 0.095 63.159 63.100 -0.060 0.000 0.763 104 P CB 0.535 32.195 31.700 -0.068 0.000 0.810 105 C N 6.513 125.782 119.300 -0.052 0.000 3.335 105 C HA 0.360 4.820 4.460 0.001 0.000 0.217 105 C C -1.598 173.378 174.990 -0.024 0.000 1.330 105 C CA -1.640 57.354 59.018 -0.040 0.000 1.470 105 C CB -0.476 27.206 27.740 -0.096 0.000 1.806 105 C HN 0.433 nan 8.230 nan 0.000 0.468 106 P HA 0.119 nan 4.420 nan 0.000 0.245 106 P C 0.072 177.366 177.300 -0.010 0.000 1.206 106 P CA 1.005 64.096 63.100 -0.015 0.000 0.781 106 P CB 0.018 31.710 31.700 -0.012 0.000 0.994 107 D N 0.632 121.042 120.400 0.016 0.000 2.564 107 D HA 0.186 4.827 4.640 0.001 0.000 0.226 107 D C -0.671 175.665 176.300 0.060 0.000 1.149 107 D CA 0.098 54.114 54.000 0.026 0.000 0.994 107 D CB 0.453 41.276 40.800 0.038 0.000 1.029 107 D HN -0.089 nan 8.370 nan 0.000 0.517 108 V N 2.354 122.269 119.914 0.001 0.000 2.419 108 V HA 0.232 4.353 4.120 0.001 0.000 0.287 108 V C 0.244 176.255 176.094 -0.137 0.000 1.017 108 V CA -1.015 61.290 62.300 0.008 0.000 0.844 108 V CB 1.859 33.696 31.823 0.025 0.000 1.011 108 V HN 0.026 nan 8.190 nan 0.000 0.429 109 K N 2.995 123.335 120.400 -0.101 0.000 2.154 109 K HA 0.507 4.827 4.320 0.001 0.000 0.264 109 K C -0.636 175.887 176.600 -0.130 0.000 1.008 109 K CA -0.264 55.936 56.287 -0.146 0.000 0.937 109 K CB 0.423 32.903 32.500 -0.033 0.000 1.002 109 K HN 0.541 nan 8.250 nan 0.000 0.469 110 Y N 0.602 120.939 120.300 0.061 0.000 2.569 110 Y HA 0.141 4.691 4.550 0.001 0.000 0.332 110 Y C 1.434 177.354 175.900 0.034 0.000 1.120 110 Y CA -0.149 57.989 58.100 0.065 0.000 1.416 110 Y CB 0.184 38.694 38.460 0.082 0.000 1.210 110 Y HN 0.620 nan 8.280 nan 0.000 0.528 111 G N 2.640 111.531 108.800 0.152 0.000 2.491 111 G HA2 0.214 4.174 3.960 0.001 0.000 0.242 111 G HA3 0.214 4.174 3.960 0.001 0.000 0.242 111 G C 0.329 175.264 174.900 0.059 0.000 1.266 111 G CA -0.549 44.597 45.100 0.078 0.000 0.844 111 G HN 0.651 nan 8.290 nan 0.000 0.571 112 K N -0.311 120.112 120.400 0.038 0.000 2.412 112 K HA 0.217 4.537 4.320 0.001 0.000 0.202 112 K C 0.706 177.309 176.600 0.004 0.000 1.102 112 K CA 0.257 56.553 56.287 0.015 0.000 1.027 112 K CB 0.817 33.332 32.500 0.026 0.000 0.931 112 K HN 0.437 nan 8.250 nan 0.000 0.557 113 R N 0.930 121.450 120.500 0.033 0.000 2.531 113 R HA 0.400 4.741 4.340 0.001 0.000 0.293 113 R C -1.184 175.180 176.300 0.106 0.000 1.124 113 R CA -0.439 55.716 56.100 0.093 0.000 0.945 113 R CB 1.320 31.717 30.300 0.161 0.000 1.195 113 R HN 0.058 nan 8.270 nan 0.000 0.433 114 I N -1.572 119.051 120.570 0.089 0.000 2.509 114 I HA 0.494 4.665 4.170 0.001 0.000 0.293 114 I C -0.746 175.495 176.117 0.206 0.000 1.020 114 I CA -0.908 60.462 61.300 0.116 0.000 1.088 114 I CB 2.066 40.080 38.000 0.023 0.000 1.267 114 I HN 0.532 nan 8.210 nan 0.000 0.430 115 H N 5.549 124.704 119.070 0.142 0.000 2.595 115 H HA 0.698 5.254 4.556 0.001 0.000 0.313 115 H C -0.992 174.440 175.328 0.173 0.000 1.023 115 H CA -0.645 55.496 56.048 0.156 0.000 1.218 115 H CB 1.341 31.157 29.762 0.090 0.000 1.403 115 H HN 0.674 nan 8.280 nan 0.000 0.477 116 V N 3.777 123.831 119.914 0.233 0.000 2.628 116 V HA 0.616 4.737 4.120 0.001 0.000 0.306 116 V C -0.845 175.431 176.094 0.304 0.000 1.045 116 V CA -0.938 61.553 62.300 0.320 0.000 0.905 116 V CB 1.914 33.971 31.823 0.390 0.000 0.997 116 V HN 0.613 nan 8.190 nan 0.000 0.436 117 L N 4.991 126.395 121.223 0.301 0.000 2.431 117 L HA 0.629 4.969 4.340 0.001 0.000 0.266 117 L C -2.509 174.370 176.870 0.014 0.000 0.978 117 L CA -1.778 53.176 54.840 0.189 0.000 0.822 117 L CB 3.302 45.451 42.059 0.150 0.000 1.310 117 L HN 0.505 nan 8.230 nan 0.000 0.409 118 P HA 0.247 nan 4.420 nan 0.000 0.274 118 P C -0.828 176.252 177.300 -0.367 0.000 1.246 118 P CA -0.238 62.487 63.100 -0.625 0.000 0.795 118 P CB 1.168 32.444 31.700 -0.707 0.000 1.006 119 I N 1.754 122.082 120.570 -0.405 0.000 2.321 119 I HA 0.075 4.246 4.170 0.001 0.000 0.291 119 I C 1.729 177.713 176.117 -0.222 0.000 0.998 119 I CA -0.273 60.875 61.300 -0.253 0.000 1.227 119 I CB 0.959 38.826 38.000 -0.221 0.000 1.368 119 I HN 0.382 nan 8.210 nan 0.000 0.466 120 D N 4.640 124.946 120.400 -0.156 0.000 2.157 120 D HA -0.334 4.306 4.640 0.001 0.000 0.191 120 D C 1.284 177.511 176.300 -0.121 0.000 1.004 120 D CA 2.160 56.085 54.000 -0.125 0.000 0.854 120 D CB -0.393 40.355 40.800 -0.086 0.000 0.936 120 D HN 0.690 nan 8.370 nan 0.000 0.446 121 D N 0.074 120.405 120.400 -0.114 0.000 2.312 121 D HA -0.118 4.522 4.640 0.001 0.000 0.211 121 D C 1.570 177.801 176.300 -0.116 0.000 0.964 121 D CA 1.643 55.584 54.000 -0.098 0.000 0.877 121 D CB -1.048 39.704 40.800 -0.080 0.000 0.924 121 D HN 0.450 nan 8.370 nan 0.000 0.515 122 T N -2.583 111.874 114.554 -0.162 0.000 3.244 122 T HA 0.335 4.685 4.350 0.001 0.000 0.254 122 T C 0.846 175.404 174.700 -0.237 0.000 1.024 122 T CA -0.378 61.606 62.100 -0.193 0.000 0.920 122 T CB 0.217 68.941 68.868 -0.239 0.000 1.042 122 T HN 0.007 nan 8.240 nan 0.000 0.572 123 V N 0.001 119.798 119.914 -0.194 0.000 3.544 123 V HA 0.297 4.417 4.120 0.001 0.000 0.298 123 V C -0.340 175.688 176.094 -0.111 0.000 1.580 123 V CA -0.448 61.735 62.300 -0.194 0.000 1.122 123 V CB 0.521 32.185 31.823 -0.264 0.000 0.951 123 V HN 0.479 nan 8.190 nan 0.000 0.448 124 E N 1.303 121.452 120.200 -0.085 0.000 2.324 124 E HA 0.497 4.848 4.350 0.001 0.000 0.271 124 E C 0.501 177.081 176.600 -0.034 0.000 1.028 124 E CA 0.929 57.297 56.400 -0.053 0.000 0.890 124 E CB 0.827 30.499 29.700 -0.047 0.000 1.004 124 E HN 0.615 nan 8.360 nan 0.000 0.431 125 G N 3.329 112.117 108.800 -0.020 0.000 3.019 125 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 125 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 125 G C -0.177 174.729 174.900 0.011 0.000 1.056 125 G CA -0.723 44.375 45.100 -0.004 0.000 0.774 125 G HN 0.788 nan 8.290 nan 0.000 0.583 126 I N 1.032 121.615 120.570 0.021 0.000 4.719 126 I HA -0.258 3.912 4.170 0.001 0.000 0.126 126 I C 1.594 177.747 176.117 0.060 0.000 1.154 126 I CA 2.067 63.390 61.300 0.039 0.000 2.669 126 I CB -0.461 37.565 38.000 0.043 0.000 1.842 126 I HN 1.016 nan 8.210 nan 0.000 0.327 127 T N 5.154 119.741 114.554 0.055 0.000 2.777 127 T HA 0.094 4.445 4.350 0.001 0.000 0.266 127 T C 1.773 176.543 174.700 0.117 0.000 1.040 127 T CA 1.361 63.507 62.100 0.076 0.000 1.141 127 T CB -0.517 68.386 68.868 0.058 0.000 0.868 127 T HN 1.287 nan 8.240 nan 0.000 0.444 128 G N 2.320 111.174 108.800 0.090 0.000 3.773 128 G HA2 -0.361 3.600 3.960 0.001 0.000 0.355 128 G HA3 -0.361 3.600 3.960 0.001 0.000 0.355 128 G C 0.261 175.221 174.900 0.099 0.000 1.323 128 G CA 0.797 45.948 45.100 0.086 0.000 1.103 128 G HN 0.704 nan 8.290 nan 0.000 0.716 129 N N -0.059 118.721 118.700 0.134 0.000 2.537 129 N HA 0.369 5.109 4.740 0.001 0.000 0.281 129 N C 1.036 176.693 175.510 0.246 0.000 1.097 129 N CA -0.150 53.000 53.050 0.168 0.000 0.964 129 N CB 1.513 40.089 38.487 0.148 0.000 1.588 129 N HN 0.261 nan 8.380 nan 0.000 0.511 130 L N 2.519 123.920 121.223 0.296 0.000 2.072 130 L HA 0.011 4.352 4.340 0.001 0.000 0.205 130 L C 2.137 179.269 176.870 0.435 0.000 1.079 130 L CA 1.127 56.223 54.840 0.427 0.000 0.752 130 L CB -0.351 41.925 42.059 0.362 0.000 0.906 130 L HN 0.535 nan 8.230 nan 0.000 0.436 131 F N 1.102 121.168 119.950 0.194 0.000 2.113 131 F HA -0.229 4.298 4.527 0.001 0.000 0.297 131 F C 2.523 178.388 175.800 0.109 0.000 1.103 131 F CA 1.699 59.776 58.000 0.127 0.000 1.248 131 F CB 0.130 39.174 39.000 0.074 0.000 0.999 131 F HN -0.011 nan 8.300 nan 0.000 0.475 132 E N 0.192 120.373 120.200 -0.031 0.000 2.028 132 E HA -0.131 4.219 4.350 0.001 0.000 0.191 132 E C 2.089 178.582 176.600 -0.178 0.000 0.988 132 E CA 1.812 58.114 56.400 -0.163 0.000 0.799 132 E CB -0.472 29.236 29.700 0.013 0.000 0.755 132 E HN 0.277 nan 8.360 nan 0.000 0.447 133 V N -0.227 119.617 119.914 -0.116 0.000 2.453 133 V HA -0.172 3.948 4.120 0.001 0.000 0.247 133 V C 1.442 177.243 176.094 -0.489 0.000 1.048 133 V CA 1.723 63.827 62.300 -0.328 0.000 1.049 133 V CB -0.441 31.129 31.823 -0.422 0.000 0.672 133 V HN 0.297 nan 8.190 nan 0.000 0.457 134 Y N -1.316 118.976 120.300 -0.013 0.000 2.569 134 Y HA 0.275 4.825 4.550 0.001 0.000 0.278 134 Y C 1.987 177.823 175.900 -0.107 0.000 1.130 134 Y CA 0.224 58.320 58.100 -0.006 0.000 1.280 134 Y CB -0.254 38.297 38.460 0.152 0.000 1.379 134 Y HN -0.028 nan 8.280 nan 0.000 0.508 135 L N 0.266 121.485 121.223 -0.007 0.000 2.095 135 L HA -0.105 4.236 4.340 0.001 0.000 0.204 135 L C 2.406 179.279 176.870 0.005 0.000 1.080 135 L CA 1.320 56.160 54.840 -0.000 0.000 0.759 135 L CB -0.343 41.798 42.059 0.136 0.000 0.914 135 L HN 0.113 nan 8.230 nan 0.000 0.439 136 K N 0.221 120.382 120.400 -0.398 0.000 2.026 136 K HA -0.149 4.171 4.320 0.001 0.000 0.208 136 K C -0.546 175.967 176.600 -0.144 0.000 1.048 136 K CA 1.509 57.556 56.287 -0.399 0.000 0.929 136 K CB -0.771 31.288 32.500 -0.735 0.000 0.713 136 K HN 0.212 nan 8.250 nan 0.000 0.439 137 P HA -0.165 nan 4.420 nan 0.000 0.221 137 P C 1.061 178.329 177.300 -0.054 0.000 1.150 137 P CA 1.087 64.139 63.100 -0.081 0.000 0.800 137 P CB -0.105 31.545 31.700 -0.082 0.000 0.787 138 Y N -0.145 120.034 120.300 -0.201 0.000 2.200 138 Y HA -0.089 4.461 4.550 0.001 0.000 0.290 138 Y C 1.832 177.476 175.900 -0.425 0.000 1.137 138 Y CA 1.621 59.514 58.100 -0.344 0.000 1.163 138 Y CB -0.602 37.570 38.460 -0.481 0.000 0.988 138 Y HN -0.253 nan 8.280 nan 0.000 0.518 139 F N -0.908 118.974 119.950 -0.114 0.000 2.656 139 F HA 0.158 4.685 4.527 0.000 0.000 0.291 139 F C 0.484 176.174 175.800 -0.183 0.000 1.122 139 F CA -0.365 57.523 58.000 -0.186 0.000 1.427 139 F CB -0.410 38.548 39.000 -0.071 0.000 1.125 139 F HN -0.165 nan 8.300 nan 0.000 0.583 140 L N 2.250 123.481 121.223 0.013 0.000 2.700 140 L HA -0.071 4.270 4.340 0.001 0.000 0.272 140 L C 1.014 177.839 176.870 -0.075 0.000 1.176 140 L CA 0.204 55.020 54.840 -0.041 0.000 0.961 140 L CB -0.376 41.652 42.059 -0.052 0.000 1.249 140 L HN 0.297 nan 8.230 nan 0.000 0.487 141 E N 1.891 122.016 120.200 -0.126 0.000 3.426 141 E HA -0.359 3.991 4.350 0.001 0.000 0.291 141 E C 1.214 177.772 176.600 -0.069 0.000 0.898 141 E CA 1.133 57.449 56.400 -0.141 0.000 0.970 141 E CB -1.619 28.062 29.700 -0.032 0.000 1.489 141 E HN 0.854 nan 8.360 nan 0.000 0.461 142 A N -0.333 122.438 122.820 -0.082 0.000 2.066 142 A HA -0.017 4.304 4.320 0.001 0.000 0.218 142 A C 0.590 178.243 177.584 0.114 0.000 1.157 142 A CA 0.948 52.974 52.037 -0.019 0.000 0.670 142 A CB -0.451 18.470 19.000 -0.132 0.000 0.804 142 A HN 0.351 nan 8.150 nan 0.000 0.453 143 Y N -0.444 119.884 120.300 0.047 0.000 3.037 143 Y HA -0.228 4.322 4.550 0.001 0.000 0.204 143 Y C 0.615 176.556 175.900 0.069 0.000 1.275 143 Y CA 0.518 58.669 58.100 0.084 0.000 1.066 143 Y CB -1.756 36.765 38.460 0.102 0.000 1.305 143 Y HN 0.379 nan 8.280 nan 0.000 0.499 144 R N 1.975 122.571 120.500 0.161 0.000 2.389 144 R HA 0.191 4.532 4.340 0.001 0.000 0.295 144 R C -2.249 174.128 176.300 0.128 0.000 1.075 144 R CA -1.472 54.698 56.100 0.118 0.000 1.005 144 R CB 0.434 30.814 30.300 0.133 0.000 0.987 144 R HN 0.042 nan 8.270 nan 0.000 0.452 145 P HA 0.193 nan 4.420 nan 0.000 0.286 145 P C -0.745 176.602 177.300 0.078 0.000 1.269 145 P CA -0.221 62.922 63.100 0.072 0.000 0.787 145 P CB 0.680 32.396 31.700 0.027 0.000 0.920 146 I N -0.387 120.247 120.570 0.106 0.000 2.769 146 I HA 0.660 4.831 4.170 0.001 0.000 0.298 146 I C -0.464 175.753 176.117 0.167 0.000 1.128 146 I CA -1.394 59.981 61.300 0.126 0.000 1.031 146 I CB 2.982 41.067 38.000 0.141 0.000 1.235 146 I HN 0.082 nan 8.210 nan 0.000 0.423 147 R N 2.656 123.261 120.500 0.175 0.000 2.668 147 R HA 0.420 4.761 4.340 0.001 0.000 0.279 147 R C -0.475 175.944 176.300 0.199 0.000 0.976 147 R CA -1.059 55.171 56.100 0.216 0.000 0.978 147 R CB 1.741 32.150 30.300 0.182 0.000 1.133 147 R HN 0.729 nan 8.270 nan 0.000 0.484 148 K N 0.602 121.110 120.400 0.181 0.000 2.472 148 K HA -0.014 4.307 4.320 0.001 0.000 0.280 148 K C 0.506 177.188 176.600 0.136 0.000 1.028 148 K CA 1.558 57.932 56.287 0.145 0.000 1.045 148 K CB 0.253 32.816 32.500 0.104 0.000 0.902 148 K HN 0.832 nan 8.250 nan 0.000 0.478 149 G N 3.122 112.004 108.800 0.136 0.000 2.175 149 G HA2 -0.213 3.747 3.960 0.001 0.000 0.244 149 G HA3 -0.213 3.747 3.960 0.001 0.000 0.244 149 G C -0.465 174.514 174.900 0.131 0.000 0.982 149 G CA 0.060 45.227 45.100 0.111 0.000 0.641 149 G HN 0.717 nan 8.290 nan 0.000 0.527 150 D N 0.597 121.110 120.400 0.189 0.000 2.401 150 D HA 0.411 5.051 4.640 0.001 0.000 0.254 150 D C 0.649 177.108 176.300 0.265 0.000 1.192 150 D CA 0.288 54.430 54.000 0.237 0.000 0.885 150 D CB 0.583 41.567 40.800 0.307 0.000 1.147 150 D HN 0.300 nan 8.370 nan 0.000 0.478 151 I N 4.649 125.324 120.570 0.175 0.000 2.291 151 I HA 0.238 4.408 4.170 0.001 0.000 0.290 151 I C -0.141 176.057 176.117 0.136 0.000 1.050 151 I CA -0.732 60.616 61.300 0.079 0.000 1.245 151 I CB -0.054 37.954 38.000 0.012 0.000 1.405 151 I HN 0.136 nan 8.210 nan 0.000 0.478 152 F N 5.833 125.830 119.950 0.077 0.000 2.538 152 F HA 0.851 5.378 4.527 0.001 0.000 0.325 152 F C -1.184 174.616 175.800 0.001 0.000 1.066 152 F CA -1.544 56.476 58.000 0.033 0.000 0.946 152 F CB 1.039 40.053 39.000 0.024 0.000 1.199 152 F HN 0.203 nan 8.300 nan 0.000 0.473 153 L N 3.010 124.292 121.223 0.099 0.000 2.325 153 L HA 0.817 5.158 4.340 0.001 0.000 0.278 153 L C -1.185 175.703 176.870 0.030 0.000 1.023 153 L CA -0.690 54.164 54.840 0.022 0.000 0.811 153 L CB 1.805 43.884 42.059 0.034 0.000 1.249 153 L HN 0.650 nan 8.230 nan 0.000 0.431 154 V N 4.782 124.727 119.914 0.052 0.000 2.638 154 V HA 0.585 4.705 4.120 0.001 0.000 0.306 154 V C -0.434 175.794 176.094 0.224 0.000 1.052 154 V CA -0.848 61.502 62.300 0.084 0.000 0.885 154 V CB 1.861 33.702 31.823 0.030 0.000 0.999 154 V HN 0.685 nan 8.190 nan 0.000 0.424 155 R N 2.636 123.257 120.500 0.201 0.000 2.349 155 R HA 0.738 5.078 4.340 0.001 0.000 0.299 155 R C 0.178 176.589 176.300 0.185 0.000 1.027 155 R CA -0.525 55.693 56.100 0.196 0.000 0.958 155 R CB 1.715 32.082 30.300 0.111 0.000 1.047 155 R HN 0.920 nan 8.270 nan 0.000 0.468 156 G N 0.771 109.680 108.800 0.181 0.000 2.618 156 G HA2 0.438 4.398 3.960 0.001 0.000 0.289 156 G HA3 0.438 4.398 3.960 0.001 0.000 0.289 156 G C 0.451 175.297 174.900 -0.089 0.000 1.493 156 G CA 0.040 45.042 45.100 -0.163 0.000 1.133 156 G HN 0.809 nan 8.290 nan 0.000 0.578 157 G N 3.280 112.045 108.800 -0.057 0.000 2.677 157 G HA2 -0.399 3.561 3.960 0.001 0.000 0.321 157 G HA3 -0.399 3.561 3.960 0.001 0.000 0.321 157 G C 1.877 176.790 174.900 0.022 0.000 1.181 157 G CA 2.125 47.210 45.100 -0.026 0.000 0.965 157 G HN 1.696 nan 8.290 nan 0.000 0.548 158 M N 0.693 120.316 119.600 0.037 0.000 2.089 158 M HA 0.041 4.521 4.480 0.001 0.000 0.257 158 M C 1.341 177.679 176.300 0.063 0.000 1.071 158 M CA 2.830 58.160 55.300 0.050 0.000 1.096 158 M CB -0.534 32.099 32.600 0.056 0.000 1.330 158 M HN 0.999 nan 8.290 nan 0.000 0.403 159 R N -0.216 120.349 120.500 0.108 0.000 2.741 159 R HA 0.795 5.135 4.340 0.001 0.000 0.274 159 R C -1.971 174.424 176.300 0.160 0.000 1.029 159 R CA -0.598 55.559 56.100 0.096 0.000 0.880 159 R CB 0.949 31.279 30.300 0.049 0.000 1.264 159 R HN 0.089 nan 8.270 nan 0.000 0.465 160 A N 1.031 123.902 122.820 0.085 0.000 2.312 160 A HA 0.658 4.978 4.320 0.001 0.000 0.326 160 A C -0.630 176.918 177.584 -0.060 0.000 1.172 160 A CA -0.747 51.336 52.037 0.076 0.000 0.821 160 A CB 1.551 20.585 19.000 0.056 0.000 1.166 160 A HN 0.365 nan 8.150 nan 0.000 0.493 161 V N 2.198 122.023 119.914 -0.148 0.000 2.513 161 V HA 0.333 4.453 4.120 0.001 0.000 0.299 161 V C 0.079 175.969 176.094 -0.340 0.000 1.035 161 V CA -0.598 61.467 62.300 -0.392 0.000 0.889 161 V CB 1.553 32.897 31.823 -0.798 0.000 0.988 161 V HN 1.007 nan 8.190 nan 0.000 0.440 162 E N 2.670 122.615 120.200 -0.425 0.000 2.283 162 E HA 0.557 4.907 4.350 0.001 0.000 0.278 162 E C -1.513 174.687 176.600 -0.666 0.000 1.027 162 E CA -0.179 55.990 56.400 -0.385 0.000 0.843 162 E CB 1.257 30.799 29.700 -0.262 0.000 1.062 162 E HN 0.515 nan 8.360 nan 0.000 0.401 163 F N 1.652 121.235 119.950 -0.612 0.000 2.563 163 F HA 0.378 4.906 4.527 0.001 0.000 0.316 163 F C 0.186 175.648 175.800 -0.564 0.000 1.076 163 F CA -0.893 56.712 58.000 -0.657 0.000 0.921 163 F CB 1.702 40.091 39.000 -1.018 0.000 1.209 163 F HN 0.136 nan 8.300 nan 0.000 0.462 164 K N 1.936 122.295 120.400 -0.069 0.000 2.182 164 K HA 0.619 4.939 4.320 0.001 0.000 0.262 164 K C -1.388 175.330 176.600 0.197 0.000 0.957 164 K CA -0.613 55.700 56.287 0.043 0.000 0.842 164 K CB 1.624 34.143 32.500 0.033 0.000 1.099 164 K HN 0.491 nan 8.250 nan 0.000 0.438 165 V N 5.569 125.656 119.914 0.288 0.000 2.405 165 V HA 0.017 4.137 4.120 0.001 0.000 0.264 165 V C 1.045 177.265 176.094 0.210 0.000 1.048 165 V CA -0.215 62.277 62.300 0.320 0.000 0.966 165 V CB 0.889 32.921 31.823 0.349 0.000 1.015 165 V HN 0.698 nan 8.190 nan 0.000 0.477 166 V N 3.135 123.173 119.914 0.206 0.000 2.685 166 V HA 0.169 4.290 4.120 0.001 0.000 0.244 166 V C 0.691 176.831 176.094 0.077 0.000 1.054 166 V CA 0.827 63.199 62.300 0.120 0.000 1.076 166 V CB 0.085 31.965 31.823 0.095 0.000 0.725 166 V HN 0.835 nan 8.190 nan 0.000 0.467 167 E N -0.239 120.034 120.200 0.122 0.000 2.383 167 E HA 0.573 4.924 4.350 0.001 0.000 0.275 167 E C -0.652 176.018 176.600 0.116 0.000 0.918 167 E CA -0.263 56.188 56.400 0.086 0.000 0.764 167 E CB 2.244 31.967 29.700 0.039 0.000 1.252 167 E HN 0.369 nan 8.360 nan 0.000 0.449 168 T N -0.350 114.251 114.554 0.078 0.000 2.907 168 T HA 0.431 4.781 4.350 0.001 0.000 0.290 168 T C 0.271 174.998 174.700 0.045 0.000 1.066 168 T CA -0.659 61.483 62.100 0.070 0.000 1.012 168 T CB 1.622 70.530 68.868 0.067 0.000 1.184 168 T HN 0.323 nan 8.240 nan 0.000 0.522 169 D N 0.622 121.045 120.400 0.040 0.000 2.154 169 D HA 0.219 4.859 4.640 0.001 0.000 0.211 169 D C -1.576 174.728 176.300 0.008 0.000 0.977 169 D CA 0.415 54.433 54.000 0.031 0.000 0.869 169 D CB -1.171 39.653 40.800 0.040 0.000 1.022 169 D HN 0.459 nan 8.370 nan 0.000 0.461 170 P HA 0.171 nan 4.420 nan 0.000 0.272 170 P C 0.589 177.840 177.300 -0.080 0.000 1.230 170 P CA -0.087 62.987 63.100 -0.044 0.000 0.788 170 P CB 1.117 32.785 31.700 -0.053 0.000 0.949 171 S N 2.468 118.096 115.700 -0.120 0.000 2.427 171 S HA -0.162 4.308 4.470 0.001 0.000 0.231 171 S C -0.715 173.809 174.600 -0.127 0.000 1.045 171 S CA 2.135 60.264 58.200 -0.120 0.000 1.154 171 S CB -1.755 61.372 63.200 -0.123 0.000 1.093 171 S HN 0.628 nan 8.310 nan 0.000 0.422 172 P HA 0.238 nan 4.420 nan 0.000 0.233 172 P C -0.463 176.834 177.300 -0.004 0.000 1.157 172 P CA 0.445 63.466 63.100 -0.131 0.000 0.876 172 P CB 0.204 31.823 31.700 -0.134 0.000 0.947 173 Y N -0.741 119.576 120.300 0.028 0.000 2.562 173 Y HA 0.687 5.237 4.550 0.000 0.000 0.345 173 Y C -0.532 175.377 175.900 0.015 0.000 1.045 173 Y CA -1.992 56.126 58.100 0.029 0.000 1.028 173 Y CB 0.632 39.108 38.460 0.027 0.000 1.297 173 Y HN 0.054 nan 8.280 nan 0.000 0.463 174 C N 0.538 119.964 119.300 0.211 0.000 3.239 174 C HA 0.790 5.251 4.460 0.001 0.000 0.317 174 C C -0.831 174.223 174.990 0.107 0.000 1.310 174 C CA -1.226 57.864 59.018 0.119 0.000 1.371 174 C CB 0.831 28.614 27.740 0.071 0.000 1.714 174 C HN 0.978 nan 8.230 nan 0.000 0.473 175 I N 2.114 122.732 120.570 0.080 0.000 2.416 175 I HA 0.270 4.441 4.170 0.001 0.000 0.288 175 I C 0.171 176.383 176.117 0.159 0.000 1.051 175 I CA -0.163 61.216 61.300 0.132 0.000 1.375 175 I CB 1.511 39.593 38.000 0.137 0.000 1.407 175 I HN 0.573 nan 8.210 nan 0.000 0.516 176 V N 7.741 127.705 119.914 0.082 0.000 2.287 176 V HA 0.210 4.330 4.120 0.001 0.000 0.246 176 V C 0.942 176.994 176.094 -0.069 0.000 1.165 176 V CA -0.370 61.891 62.300 -0.066 0.000 1.088 176 V CB -0.426 31.194 31.823 -0.339 0.000 1.242 176 V HN 0.831 nan 8.190 nan 0.000 0.497 177 A N 7.588 130.399 122.820 -0.014 0.000 2.327 177 A HA 0.524 4.844 4.320 0.001 0.000 0.255 177 A C -0.499 176.913 177.584 -0.288 0.000 1.099 177 A CA -1.176 50.712 52.037 -0.247 0.000 0.801 177 A CB -0.053 18.906 19.000 -0.068 0.000 1.062 177 A HN 0.567 nan 8.150 nan 0.000 0.496 178 P HA -0.156 nan 4.420 nan 0.000 0.222 178 P C 0.161 177.387 177.300 -0.123 0.000 1.142 178 P CA 1.594 64.575 63.100 -0.198 0.000 0.788 178 P CB -0.086 31.507 31.700 -0.179 0.000 0.767 179 D N -0.755 119.572 120.400 -0.123 0.000 2.178 179 D HA -0.078 4.562 4.640 0.001 0.000 0.201 179 D C 0.356 176.611 176.300 -0.074 0.000 0.980 179 D CA 0.989 54.940 54.000 -0.082 0.000 0.842 179 D CB -0.816 39.944 40.800 -0.067 0.000 0.948 179 D HN 0.169 nan 8.370 nan 0.000 0.472 180 T N 1.240 115.740 114.554 -0.089 0.000 2.817 180 T HA 0.176 4.526 4.350 0.001 0.000 0.295 180 T C 0.261 174.876 174.700 -0.142 0.000 0.958 180 T CA -0.386 61.651 62.100 -0.104 0.000 1.157 180 T CB 1.137 69.920 68.868 -0.141 0.000 0.898 180 T HN -0.202 nan 8.240 nan 0.000 0.536 181 V N 5.668 125.483 119.914 -0.165 0.000 2.470 181 V HA 0.150 4.271 4.120 0.001 0.000 0.276 181 V C 0.581 176.461 176.094 -0.356 0.000 1.040 181 V CA -0.198 61.920 62.300 -0.303 0.000 1.008 181 V CB -0.035 31.569 31.823 -0.365 0.000 0.990 181 V HN 0.763 nan 8.190 nan 0.000 0.477 182 I N 5.867 126.211 120.570 -0.378 0.000 2.316 182 I HA 0.252 4.422 4.170 0.001 0.000 0.286 182 I C 0.430 176.341 176.117 -0.344 0.000 1.107 182 I CA -0.271 60.879 61.300 -0.249 0.000 1.219 182 I CB -0.168 37.839 38.000 0.012 0.000 1.455 182 I HN 0.570 nan 8.210 nan 0.000 0.498 183 H N 4.715 123.680 119.070 -0.175 0.000 2.886 183 H HA 0.087 4.643 4.556 0.001 0.000 0.329 183 H C 0.676 175.844 175.328 -0.267 0.000 1.044 183 H CA -0.020 55.885 56.048 -0.239 0.000 1.456 183 H CB 1.295 30.912 29.762 -0.241 0.000 1.464 183 H HN 0.823 nan 8.280 nan 0.000 0.573 184 C N 0.558 119.801 119.300 -0.093 0.000 3.626 184 C HA 0.203 4.663 4.460 0.001 0.000 0.276 184 C C 0.075 175.057 174.990 -0.013 0.000 1.694 184 C CA -0.828 58.174 59.018 -0.026 0.000 1.785 184 C CB -0.973 26.868 27.740 0.169 0.000 3.152 184 C HN 0.698 nan 8.230 nan 0.000 0.571 185 E N 2.102 122.267 120.200 -0.058 0.000 2.392 185 E HA 0.571 4.922 4.350 0.001 0.000 0.264 185 E C 0.684 177.310 176.600 0.042 0.000 1.024 185 E CA 0.938 57.340 56.400 0.003 0.000 0.903 185 E CB -0.015 29.695 29.700 0.016 0.000 0.963 185 E HN 1.232 nan 8.360 nan 0.000 0.432 186 G N 0.657 109.501 108.800 0.073 0.000 2.334 186 G HA2 0.117 4.077 3.960 0.001 0.000 0.315 186 G HA3 0.117 4.077 3.960 0.001 0.000 0.315 186 G C -1.323 173.618 174.900 0.068 0.000 1.284 186 G CA -0.808 44.353 45.100 0.102 0.000 0.985 186 G HN 0.636 nan 8.290 nan 0.000 0.504 187 E N 1.020 121.256 120.200 0.060 0.000 2.316 187 E HA 0.565 4.916 4.350 0.001 0.000 0.275 187 E C -2.039 174.569 176.600 0.013 0.000 1.029 187 E CA -1.295 55.121 56.400 0.026 0.000 0.871 187 E CB 0.764 30.474 29.700 0.017 0.000 1.022 187 E HN 0.293 nan 8.360 nan 0.000 0.418 188 P HA 0.003 nan 4.420 nan 0.000 0.263 188 P C -0.480 176.790 177.300 -0.050 0.000 1.195 188 P CA -0.062 63.008 63.100 -0.051 0.000 0.762 188 P CB 0.265 31.922 31.700 -0.072 0.000 0.799 189 I N 3.616 124.152 120.570 -0.058 0.000 2.742 189 I HA -0.053 4.117 4.170 0.001 0.000 0.287 189 I C 1.176 177.254 176.117 -0.065 0.000 1.186 189 I CA 0.386 61.656 61.300 -0.051 0.000 1.417 189 I CB -0.514 37.456 38.000 -0.050 0.000 1.377 189 I HN 0.308 nan 8.210 nan 0.000 0.556 190 K N 5.820 126.190 120.400 -0.050 0.000 2.451 190 K HA -0.039 4.282 4.320 0.001 0.000 0.280 190 K C 1.168 177.735 176.600 -0.056 0.000 1.020 190 K CA -0.165 56.092 56.287 -0.051 0.000 1.008 190 K CB 0.916 33.392 32.500 -0.040 0.000 0.917 190 K HN 0.335 nan 8.250 nan 0.000 0.478 191 R N 3.138 123.600 120.500 -0.062 0.000 2.105 191 R HA -0.188 4.152 4.340 0.001 0.000 0.239 191 R C 1.099 177.368 176.300 -0.051 0.000 1.135 191 R CA 1.877 57.940 56.100 -0.063 0.000 0.967 191 R CB 0.011 30.272 30.300 -0.065 0.000 0.861 191 R HN 0.682 nan 8.270 nan 0.000 0.442 192 E N -0.145 120.028 120.200 -0.045 0.000 2.160 192 E HA -0.186 4.164 4.350 0.001 0.000 0.195 192 E C 1.278 177.855 176.600 -0.039 0.000 0.991 192 E CA 1.304 57.680 56.400 -0.040 0.000 0.810 192 E CB -0.082 29.597 29.700 -0.035 0.000 0.742 192 E HN 0.461 nan 8.360 nan 0.000 0.466 193 D N 0.714 121.090 120.400 -0.040 0.000 2.117 193 D HA -0.132 4.508 4.640 0.001 0.000 0.198 193 D C 1.751 178.028 176.300 -0.039 0.000 0.982 193 D CA 0.897 54.875 54.000 -0.038 0.000 0.828 193 D CB -0.067 40.712 40.800 -0.035 0.000 0.967 193 D HN 0.111 nan 8.370 nan 0.000 0.464 194 E N 0.657 120.832 120.200 -0.041 0.000 2.285 194 E HA -0.062 4.288 4.350 0.001 0.000 0.194 194 E C 1.887 178.462 176.600 -0.041 0.000 0.997 194 E CA 0.315 56.691 56.400 -0.040 0.000 0.845 194 E CB 0.107 29.781 29.700 -0.044 0.000 0.782 194 E HN 0.400 nan 8.360 nan 0.000 0.491 195 E N 0.731 120.905 120.200 -0.042 0.000 2.072 195 E HA -0.169 4.181 4.350 0.001 0.000 0.190 195 E C 1.883 178.456 176.600 -0.044 0.000 0.982 195 E CA 0.702 57.077 56.400 -0.042 0.000 0.803 195 E CB 0.011 29.687 29.700 -0.040 0.000 0.755 195 E HN 0.225 nan 8.360 nan 0.000 0.453 196 E N 0.571 120.744 120.200 -0.045 0.000 2.204 196 E HA -0.078 4.272 4.350 0.001 0.000 0.194 196 E C 2.024 178.591 176.600 -0.055 0.000 0.989 196 E CA 0.794 57.164 56.400 -0.049 0.000 0.824 196 E CB 0.020 29.692 29.700 -0.047 0.000 0.756 196 E HN -0.032 nan 8.360 nan 0.000 0.477 197 S N -0.996 114.675 115.700 -0.049 0.000 2.404 197 S HA 0.075 4.546 4.470 0.001 0.000 0.223 197 S C 1.709 176.279 174.600 -0.050 0.000 1.040 197 S CA 0.234 58.404 58.200 -0.049 0.000 0.957 197 S CB -0.107 63.070 63.200 -0.038 0.000 0.826 197 S HN 0.251 nan 8.310 nan 0.000 0.491 198 L N 1.416 122.613 121.223 -0.044 0.000 2.012 198 L HA -0.058 4.282 4.340 0.001 0.000 0.210 198 L C 0.839 177.678 176.870 -0.053 0.000 1.073 198 L CA 1.229 56.043 54.840 -0.042 0.000 0.748 198 L CB -0.334 41.703 42.059 -0.036 0.000 0.891 198 L HN 0.244 nan 8.230 nan 0.000 0.431 199 N N -0.186 118.479 118.700 -0.057 0.000 2.389 199 N HA 0.055 4.796 4.740 0.001 0.000 0.237 199 N C -0.507 174.955 175.510 -0.080 0.000 1.148 199 N CA -0.004 53.006 53.050 -0.067 0.000 0.854 199 N CB 0.117 38.566 38.487 -0.063 0.000 1.115 199 N HN 0.241 nan 8.380 nan 0.000 0.492 200 E N 0.196 120.345 120.200 -0.086 0.000 2.384 200 E HA 0.071 4.421 4.350 0.001 0.000 0.266 200 E C -0.185 176.340 176.600 -0.124 0.000 1.012 200 E CA -0.186 56.149 56.400 -0.109 0.000 0.901 200 E CB 1.181 30.813 29.700 -0.114 0.000 0.967 200 E HN -0.024 nan 8.360 nan 0.000 0.435 201 V N 2.939 122.766 119.914 -0.144 0.000 2.655 201 V HA 0.255 4.376 4.120 0.001 0.000 0.300 201 V C 0.832 176.809 176.094 -0.195 0.000 1.044 201 V CA 0.353 62.563 62.300 -0.150 0.000 1.095 201 V CB 1.079 32.815 31.823 -0.147 0.000 0.952 201 V HN 0.789 nan 8.190 nan 0.000 0.485 202 G N 2.108 110.804 108.800 -0.173 0.000 3.042 202 G HA2 0.442 4.402 3.960 0.001 0.000 0.278 202 G HA3 0.442 4.402 3.960 0.001 0.000 0.278 202 G C -0.020 174.781 174.900 -0.166 0.000 1.371 202 G CA -0.521 44.434 45.100 -0.242 0.000 1.009 202 G HN 0.603 nan 8.290 nan 0.000 0.523 203 Y N -0.536 119.742 120.300 -0.037 0.000 2.333 203 Y HA -0.130 4.420 4.550 0.000 0.000 0.290 203 Y C 2.370 178.260 175.900 -0.015 0.000 1.144 203 Y CA 0.981 59.068 58.100 -0.021 0.000 1.228 203 Y CB 0.323 38.778 38.460 -0.008 0.000 0.985 203 Y HN 0.299 nan 8.280 nan 0.000 0.542 204 D N -0.195 120.274 120.400 0.115 0.000 2.264 204 D HA -0.138 4.503 4.640 0.001 0.000 0.208 204 D C 1.174 177.493 176.300 0.032 0.000 0.966 204 D CA 1.073 55.110 54.000 0.061 0.000 0.864 204 D CB -0.292 40.527 40.800 0.031 0.000 0.933 204 D HN 0.433 nan 8.370 nan 0.000 0.499 205 D N 0.008 120.415 120.400 0.011 0.000 2.349 205 D HA 0.016 4.657 4.640 0.001 0.000 0.224 205 D C 0.575 176.889 176.300 0.024 0.000 1.029 205 D CA 0.023 54.015 54.000 -0.013 0.000 0.879 205 D CB 0.749 41.515 40.800 -0.056 0.000 0.906 205 D HN 0.253 nan 8.370 nan 0.000 0.528 206 I N 0.088 120.693 120.570 0.058 0.000 2.389 206 I HA 0.484 4.654 4.170 0.001 0.000 0.288 206 I C -0.158 175.999 176.117 0.067 0.000 0.999 206 I CA -0.405 60.938 61.300 0.073 0.000 1.129 206 I CB 1.737 39.792 38.000 0.092 0.000 1.288 206 I HN -0.187 nan 8.210 nan 0.000 0.444 207 G N 3.911 112.749 108.800 0.062 0.000 2.454 207 G HA2 0.524 4.485 3.960 0.001 0.000 0.329 207 G HA3 0.524 4.485 3.960 0.001 0.000 0.329 207 G C 0.452 175.374 174.900 0.036 0.000 1.177 207 G CA -0.568 44.562 45.100 0.049 0.000 0.951 207 G HN 1.551 nan 8.290 nan 0.000 0.485 208 G N -1.501 107.314 108.800 0.025 0.000 2.203 208 G HA2 -0.274 3.686 3.960 0.001 0.000 0.263 208 G HA3 -0.274 3.686 3.960 0.001 0.000 0.263 208 G C 0.628 175.534 174.900 0.009 0.000 1.012 208 G CA 0.661 45.771 45.100 0.016 0.000 0.749 208 G HN 1.106 nan 8.290 nan 0.000 0.512 209 C N -0.534 118.771 119.300 0.009 0.000 3.365 209 C HA 0.339 4.799 4.460 0.001 0.000 0.266 209 C C 2.269 177.254 174.990 -0.009 0.000 1.631 209 C CA -0.155 58.864 59.018 0.002 0.000 1.789 209 C CB -0.547 27.201 27.740 0.013 0.000 3.088 209 C HN 0.646 nan 8.230 nan 0.000 0.547 210 R N 2.481 122.975 120.500 -0.010 0.000 2.136 210 R HA -0.217 4.124 4.340 0.001 0.000 0.242 210 R C 2.234 178.518 176.300 -0.027 0.000 1.131 210 R CA 2.069 58.157 56.100 -0.021 0.000 0.937 210 R CB -0.178 30.114 30.300 -0.012 0.000 0.863 210 R HN 0.644 nan 8.270 nan 0.000 0.435 211 K N 0.314 120.704 120.400 -0.016 0.000 2.211 211 K HA -0.173 4.148 4.320 0.001 0.000 0.203 211 K C 1.824 178.416 176.600 -0.012 0.000 1.050 211 K CA 1.483 57.763 56.287 -0.012 0.000 0.945 211 K CB -0.064 32.434 32.500 -0.004 0.000 0.732 211 K HN 0.195 nan 8.250 nan 0.000 0.451 212 Q N 1.174 120.965 119.800 -0.016 0.000 2.096 212 Q HA 0.122 4.462 4.340 0.001 0.000 0.197 212 Q C 2.177 178.167 176.000 -0.016 0.000 0.964 212 Q CA 0.841 56.637 55.803 -0.012 0.000 0.838 212 Q CB -0.121 28.607 28.738 -0.015 0.000 0.906 212 Q HN 0.212 nan 8.270 nan 0.000 0.444 213 L N 0.132 121.329 121.223 -0.043 0.000 2.131 213 L HA -0.200 4.141 4.340 0.001 0.000 0.210 213 L C 2.299 179.096 176.870 -0.122 0.000 1.092 213 L CA 0.978 55.752 54.840 -0.110 0.000 0.759 213 L CB -0.568 41.387 42.059 -0.173 0.000 0.903 213 L HN 0.266 nan 8.230 nan 0.000 0.435 214 A N -0.499 122.277 122.820 -0.073 0.000 1.877 214 A HA -0.262 4.058 4.320 0.001 0.000 0.216 214 A C 2.211 179.789 177.584 -0.010 0.000 1.186 214 A CA 1.607 53.617 52.037 -0.045 0.000 0.620 214 A CB -0.461 18.525 19.000 -0.024 0.000 0.822 214 A HN 0.468 nan 8.150 nan 0.000 0.443 215 Q N -0.769 119.034 119.800 0.004 0.000 2.084 215 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 215 Q C 2.049 178.076 176.000 0.045 0.000 0.978 215 Q CA 1.516 57.338 55.803 0.032 0.000 0.844 215 Q CB -0.297 28.462 28.738 0.035 0.000 0.898 215 Q HN 0.747 nan 8.270 nan 0.000 0.426 216 I N 0.683 121.275 120.570 0.036 0.000 2.315 216 I HA -0.269 3.901 4.170 0.001 0.000 0.248 216 I C 2.169 178.327 176.117 0.068 0.000 1.117 216 I CA 1.149 62.489 61.300 0.067 0.000 1.404 216 I CB -0.110 37.944 38.000 0.090 0.000 1.071 216 I HN 0.101 nan 8.210 nan 0.000 0.419 217 K N 0.441 120.854 120.400 0.022 0.000 2.097 217 K HA -0.168 4.153 4.320 0.001 0.000 0.205 217 K C 1.983 178.636 176.600 0.089 0.000 1.050 217 K CA 1.249 57.560 56.287 0.041 0.000 0.938 217 K CB -0.120 32.368 32.500 -0.019 0.000 0.718 217 K HN 0.377 nan 8.250 nan 0.000 0.442 218 E N 0.395 120.645 120.200 0.084 0.000 2.072 218 E HA -0.123 4.227 4.350 0.001 0.000 0.191 218 E C 1.915 178.609 176.600 0.156 0.000 0.985 218 E CA 1.257 57.735 56.400 0.130 0.000 0.801 218 E CB 0.061 29.823 29.700 0.103 0.000 0.750 218 E HN 0.255 nan 8.360 nan 0.000 0.452 219 M N -0.620 119.040 119.600 0.101 0.000 2.501 219 M HA -0.030 4.451 4.480 0.001 0.000 0.261 219 M C 1.672 177.988 176.300 0.026 0.000 1.129 219 M CA 0.500 55.835 55.300 0.058 0.000 1.126 219 M CB 0.858 33.489 32.600 0.051 0.000 1.359 219 M HN -0.020 nan 8.290 nan 0.000 0.471 220 V N -1.670 118.285 119.914 0.068 0.000 2.854 220 V HA 0.042 4.162 4.120 0.001 0.000 0.236 220 V C 1.833 177.983 176.094 0.094 0.000 1.157 220 V CA 0.785 63.129 62.300 0.073 0.000 1.187 220 V CB -0.223 31.674 31.823 0.122 0.000 0.949 220 V HN 0.174 nan 8.190 nan 0.000 0.488 221 E N 0.694 120.969 120.200 0.125 0.000 2.072 221 E HA -0.148 4.202 4.350 0.001 0.000 0.190 221 E C 1.951 178.645 176.600 0.156 0.000 0.982 221 E CA 1.186 57.669 56.400 0.138 0.000 0.803 221 E CB -0.265 29.524 29.700 0.148 0.000 0.755 221 E HN 0.364 nan 8.360 nan 0.000 0.453 222 L N 0.433 121.776 121.223 0.199 0.000 2.027 222 L HA -0.027 4.313 4.340 0.001 0.000 0.206 222 L C -1.103 176.003 176.870 0.393 0.000 1.074 222 L CA 1.692 56.721 54.840 0.314 0.000 0.745 222 L CB -0.921 41.340 42.059 0.338 0.000 0.898 222 L HN 0.158 nan 8.230 nan 0.000 0.433 223 P HA -0.097 nan 4.420 nan 0.000 0.221 223 P C 1.911 179.236 177.300 0.041 0.000 1.150 223 P CA 1.298 64.343 63.100 -0.091 0.000 0.800 223 P CB 0.096 31.484 31.700 -0.520 0.000 0.787 224 L N -1.062 120.197 121.223 0.060 0.000 2.049 224 L HA 0.002 4.343 4.340 0.001 0.000 0.203 224 L C 2.469 179.350 176.870 0.019 0.000 1.074 224 L CA 1.277 56.150 54.840 0.055 0.000 0.749 224 L CB -0.371 41.724 42.059 0.060 0.000 0.907 224 L HN -0.185 nan 8.230 nan 0.000 0.439 225 R N -1.317 119.184 120.500 0.002 0.000 2.276 225 R HA 0.062 4.402 4.340 0.001 0.000 0.196 225 R C 0.099 176.164 176.300 -0.391 0.000 0.961 225 R CA 0.425 56.426 56.100 -0.164 0.000 1.024 225 R CB 0.256 30.456 30.300 -0.167 0.000 0.940 225 R HN 0.380 nan 8.270 nan 0.000 0.480 226 H N -0.099 119.050 119.070 0.132 0.000 2.716 226 H HA 0.162 4.718 4.556 0.000 0.000 0.230 226 H C -1.897 173.574 175.328 0.240 0.000 1.401 226 H CA -1.589 54.548 56.048 0.148 0.000 1.168 226 H CB 1.162 31.001 29.762 0.128 0.000 1.935 226 H HN 0.039 nan 8.280 nan 0.000 0.538 227 P HA -0.101 nan 4.420 nan 0.000 0.225 227 P C 1.517 179.010 177.300 0.321 0.000 1.148 227 P CA 0.860 64.157 63.100 0.329 0.000 0.779 227 P CB 0.324 32.175 31.700 0.253 0.000 0.780 228 A N 0.523 123.483 122.820 0.235 0.000 1.908 228 A HA -0.175 4.145 4.320 0.001 0.000 0.218 228 A C 2.401 180.062 177.584 0.128 0.000 1.181 228 A CA 1.374 53.509 52.037 0.163 0.000 0.627 228 A CB -1.592 17.486 19.000 0.130 0.000 0.818 228 A HN 0.152 nan 8.150 nan 0.000 0.445 229 L N -2.012 119.273 121.223 0.104 0.000 1.989 229 L HA -0.226 4.114 4.340 0.001 0.000 0.211 229 L C 2.569 179.363 176.870 -0.128 0.000 1.071 229 L CA 1.792 56.577 54.840 -0.091 0.000 0.749 229 L CB -0.588 41.290 42.059 -0.301 0.000 0.890 229 L HN 0.458 nan 8.230 nan 0.000 0.431 230 F N -0.446 119.537 119.950 0.055 0.000 2.146 230 F HA -0.190 4.337 4.527 0.001 0.000 0.298 230 F C 2.648 178.473 175.800 0.042 0.000 1.096 230 F CA 1.116 59.145 58.000 0.047 0.000 1.275 230 F CB -0.393 38.638 39.000 0.051 0.000 1.008 230 F HN -0.099 nan 8.300 nan 0.000 0.480 231 K N 0.763 121.307 120.400 0.239 0.000 2.097 231 K HA -0.072 4.248 4.320 0.001 0.000 0.206 231 K C 2.170 178.823 176.600 0.089 0.000 1.049 231 K CA 1.241 57.613 56.287 0.143 0.000 0.933 231 K CB -0.579 31.998 32.500 0.128 0.000 0.717 231 K HN 0.252 nan 8.250 nan 0.000 0.442 232 A N 0.631 123.491 122.820 0.066 0.000 1.897 232 A HA -0.061 4.260 4.320 0.001 0.000 0.215 232 A C 2.167 179.758 177.584 0.013 0.000 1.181 232 A CA 0.957 53.012 52.037 0.029 0.000 0.620 232 A CB -0.346 18.661 19.000 0.011 0.000 0.821 232 A HN 0.309 nan 8.150 nan 0.000 0.443 233 I N -0.847 119.722 120.570 -0.002 0.000 3.291 233 I HA 0.105 4.275 4.170 0.001 0.000 0.279 233 I C 1.351 177.485 176.117 0.028 0.000 1.294 233 I CA 0.963 62.256 61.300 -0.010 0.000 1.428 233 I CB -0.025 37.936 38.000 -0.066 0.000 1.070 233 I HN 0.477 nan 8.210 nan 0.000 0.478 234 G N 1.060 109.894 108.800 0.056 0.000 2.198 234 G HA2 -0.213 3.747 3.960 0.001 0.000 0.257 234 G HA3 -0.213 3.747 3.960 0.001 0.000 0.257 234 G C -0.087 174.866 174.900 0.088 0.000 1.042 234 G CA 0.271 45.410 45.100 0.066 0.000 0.791 234 G HN 0.241 nan 8.290 nan 0.000 0.502 235 V N -0.201 119.792 119.914 0.132 0.000 2.604 235 V HA 0.527 4.647 4.120 0.001 0.000 0.305 235 V C 0.406 176.624 176.094 0.208 0.000 1.043 235 V CA -1.027 61.376 62.300 0.172 0.000 0.888 235 V CB 1.909 33.846 31.823 0.190 0.000 0.995 235 V HN 0.321 nan 8.190 nan 0.000 0.429 236 K N 6.525 127.005 120.400 0.133 0.000 2.297 236 K HA 0.385 4.705 4.320 0.001 0.000 0.286 236 K C -2.313 174.273 176.600 -0.023 0.000 1.053 236 K CA -1.280 55.038 56.287 0.053 0.000 0.940 236 K CB 0.849 33.370 32.500 0.035 0.000 1.019 236 K HN 0.452 nan 8.250 nan 0.000 0.475 237 P HA 0.127 nan 4.420 nan 0.000 0.271 237 P C -2.592 174.550 177.300 -0.263 0.000 1.216 237 P CA -1.212 61.639 63.100 -0.415 0.000 0.771 237 P CB 0.148 31.456 31.700 -0.652 0.000 0.864 238 P HA 0.125 nan 4.420 nan 0.000 0.268 238 P C 0.704 177.880 177.300 -0.205 0.000 1.205 238 P CA -0.031 62.948 63.100 -0.201 0.000 0.771 238 P CB 0.436 32.060 31.700 -0.127 0.000 0.858 239 R N 1.341 121.705 120.500 -0.227 0.000 2.476 239 R HA 0.387 4.727 4.340 0.001 0.000 0.276 239 R C 0.175 176.323 176.300 -0.253 0.000 0.941 239 R CA -0.271 55.698 56.100 -0.218 0.000 1.088 239 R CB 0.404 30.574 30.300 -0.217 0.000 1.216 239 R HN 0.466 nan 8.270 nan 0.000 0.533 240 G N 1.552 110.201 108.800 -0.252 0.000 2.744 240 G HA2 0.564 4.524 3.960 0.001 0.000 0.286 240 G HA3 0.564 4.524 3.960 0.001 0.000 0.286 240 G C -1.598 173.330 174.900 0.047 0.000 1.497 240 G CA -0.474 44.442 45.100 -0.307 0.000 1.070 240 G HN 0.035 nan 8.290 nan 0.000 0.539 241 I N 2.280 122.977 120.570 0.212 0.000 2.410 241 I HA 0.375 4.546 4.170 0.001 0.000 0.286 241 I C -0.510 175.727 176.117 0.200 0.000 1.009 241 I CA -0.807 60.602 61.300 0.183 0.000 1.111 241 I CB 1.956 40.014 38.000 0.096 0.000 1.262 241 I HN 0.381 nan 8.210 nan 0.000 0.443 242 L N 7.737 129.056 121.223 0.159 0.000 2.272 242 L HA 0.568 4.909 4.340 0.001 0.000 0.289 242 L C -0.951 175.982 176.870 0.105 0.000 1.032 242 L CA -0.126 54.722 54.840 0.012 0.000 0.810 242 L CB 0.632 42.669 42.059 -0.036 0.000 1.205 242 L HN 0.388 nan 8.230 nan 0.000 0.422 243 L N 6.755 128.012 121.223 0.058 0.000 2.265 243 L HA 0.430 4.770 4.340 0.001 0.000 0.288 243 L C -0.623 176.331 176.870 0.140 0.000 1.058 243 L CA -0.707 54.192 54.840 0.097 0.000 0.809 243 L CB 0.337 42.468 42.059 0.120 0.000 1.179 243 L HN 0.664 nan 8.230 nan 0.000 0.429 244 Y N 1.103 121.410 120.300 0.012 0.000 2.633 244 Y HA 0.998 5.548 4.550 0.001 0.000 0.339 244 Y C 0.118 176.029 175.900 0.019 0.000 1.045 244 Y CA -0.902 57.201 58.100 0.005 0.000 1.098 244 Y CB 2.179 40.634 38.460 -0.009 0.000 1.296 244 Y HN 0.686 nan 8.280 nan 0.000 0.494 245 G N 0.253 109.103 108.800 0.084 0.000 2.352 245 G HA2 0.330 4.290 3.960 0.001 0.000 0.302 245 G HA3 0.330 4.290 3.960 0.001 0.000 0.302 245 G C -3.521 171.406 174.900 0.045 0.000 1.370 245 G CA -1.324 43.775 45.100 -0.002 0.000 0.918 245 G HN 0.525 nan 8.290 nan 0.000 0.610 246 P HA 0.273 nan 4.420 nan 0.000 0.270 246 P C -2.400 174.904 177.300 0.008 0.000 1.227 246 P CA -0.654 62.455 63.100 0.014 0.000 0.788 246 P CB -0.075 31.621 31.700 -0.006 0.000 0.926 247 P HA 0.037 nan 4.420 nan 0.000 0.262 247 P C 0.718 178.012 177.300 -0.010 0.000 1.182 247 P CA 1.368 64.468 63.100 -0.000 0.000 0.761 247 P CB -0.129 31.567 31.700 -0.008 0.000 0.795 248 G N 2.400 111.198 108.800 -0.003 0.000 2.182 248 G HA2 -0.252 3.708 3.960 0.001 0.000 0.248 248 G HA3 -0.252 3.708 3.960 0.001 0.000 0.248 248 G C 0.678 175.573 174.900 -0.008 0.000 1.042 248 G CA 0.472 45.567 45.100 -0.008 0.000 0.775 248 G HN 0.611 nan 8.290 nan 0.000 0.501 249 T N -3.584 110.970 114.554 -0.001 0.000 3.037 249 T HA 0.477 4.827 4.350 0.001 0.000 0.251 249 T C 1.972 176.677 174.700 0.009 0.000 1.079 249 T CA 1.433 63.531 62.100 -0.003 0.000 1.067 249 T CB 0.776 69.635 68.868 -0.015 0.000 0.948 249 T HN 2.060 nan 8.240 nan 0.000 0.496 250 G N 1.220 110.031 108.800 0.019 0.000 2.173 250 G HA2 -0.157 3.803 3.960 0.001 0.000 0.142 250 G HA3 -0.157 3.803 3.960 0.001 0.000 0.142 250 G C 0.703 175.626 174.900 0.037 0.000 1.019 250 G CA 0.082 45.199 45.100 0.029 0.000 0.699 250 G HN 0.452 nan 8.290 nan 0.000 0.495 251 K N 0.089 120.520 120.400 0.053 0.000 2.032 251 K HA -0.046 4.274 4.320 0.001 0.000 0.209 251 K C 2.491 179.133 176.600 0.070 0.000 1.048 251 K CA 1.957 58.306 56.287 0.104 0.000 0.927 251 K CB -0.311 32.270 32.500 0.137 0.000 0.712 251 K HN 0.270 nan 8.250 nan 0.000 0.441 252 T N 1.773 116.341 114.554 0.023 0.000 2.821 252 T HA -0.090 4.260 4.350 0.001 0.000 0.267 252 T C 1.781 176.409 174.700 -0.119 0.000 1.046 252 T CA 0.786 62.847 62.100 -0.064 0.000 1.139 252 T CB -0.158 68.696 68.868 -0.024 0.000 0.871 252 T HN 0.066 nan 8.240 nan 0.000 0.454 253 L N 0.780 121.969 121.223 -0.057 0.000 2.017 253 L HA 0.044 4.384 4.340 0.001 0.000 0.208 253 L C 2.157 178.982 176.870 -0.075 0.000 1.073 253 L CA 1.509 56.314 54.840 -0.059 0.000 0.745 253 L CB -0.415 41.641 42.059 -0.005 0.000 0.894 253 L HN 0.228 nan 8.230 nan 0.000 0.432 254 I N -0.777 119.777 120.570 -0.027 0.000 2.226 254 I HA -0.311 3.859 4.170 0.001 0.000 0.245 254 I C 2.585 178.659 176.117 -0.071 0.000 1.100 254 I CA 1.098 62.413 61.300 0.024 0.000 1.374 254 I CB -0.548 37.516 38.000 0.107 0.000 1.057 254 I HN 0.364 nan 8.210 nan 0.000 0.413 255 A N 0.870 123.524 122.820 -0.277 0.000 1.873 255 A HA -0.253 4.068 4.320 0.001 0.000 0.218 255 A C 2.380 179.655 177.584 -0.515 0.000 1.193 255 A CA 1.674 53.287 52.037 -0.707 0.000 0.629 255 A CB -0.536 17.670 19.000 -1.323 0.000 0.826 255 A HN 0.242 nan 8.150 nan 0.000 0.447 256 R N -0.490 119.776 120.500 -0.391 0.000 2.083 256 R HA -0.125 4.215 4.340 0.001 0.000 0.237 256 R C 2.490 178.553 176.300 -0.394 0.000 1.137 256 R CA 1.595 57.475 56.100 -0.366 0.000 0.951 256 R CB -1.443 28.714 30.300 -0.238 0.000 0.851 256 R HN 0.563 nan 8.270 nan 0.000 0.434 257 A N 0.683 123.321 122.820 -0.304 0.000 1.883 257 A HA -0.131 4.189 4.320 0.001 0.000 0.217 257 A C 2.550 179.831 177.584 -0.504 0.000 1.186 257 A CA 1.846 53.664 52.037 -0.365 0.000 0.624 257 A CB -0.771 18.106 19.000 -0.205 0.000 0.822 257 A HN 0.115 nan 8.150 nan 0.000 0.444 258 V N -0.066 119.674 119.914 -0.289 0.000 2.332 258 V HA -0.293 3.827 4.120 0.001 0.000 0.248 258 V C 3.064 178.895 176.094 -0.437 0.000 1.055 258 V CA 2.054 64.264 62.300 -0.150 0.000 1.038 258 V CB -1.268 30.659 31.823 0.173 0.000 0.651 258 V HN 0.641 nan 8.190 nan 0.000 0.450 259 A N 0.223 122.470 122.820 -0.956 0.000 1.940 259 A HA -0.277 4.044 4.320 0.001 0.000 0.219 259 A C 1.957 179.166 177.584 -0.626 0.000 1.176 259 A CA 2.447 53.650 52.037 -1.390 0.000 0.631 259 A CB -0.733 17.340 19.000 -1.544 0.000 0.814 259 A HN 0.738 nan 8.150 nan 0.000 0.446 260 N N -1.260 117.153 118.700 -0.479 0.000 2.392 260 N HA 0.015 4.756 4.740 0.001 0.000 0.177 260 N C 1.234 176.578 175.510 -0.277 0.000 1.066 260 N CA 0.517 53.372 53.050 -0.326 0.000 0.895 260 N CB 0.208 38.517 38.487 -0.296 0.000 0.988 260 N HN 0.418 nan 8.380 nan 0.000 0.457 261 E N 0.326 120.321 120.200 -0.341 0.000 2.447 261 E HA 0.012 4.363 4.350 0.001 0.000 0.204 261 E C 0.474 177.027 176.600 -0.079 0.000 0.977 261 E CA 0.359 56.584 56.400 -0.291 0.000 0.950 261 E CB 0.516 29.777 29.700 -0.732 0.000 0.975 261 E HN 0.323 nan 8.360 nan 0.000 0.496 262 T N -2.105 112.425 114.554 -0.040 0.000 2.904 262 T HA 0.327 4.678 4.350 0.001 0.000 0.290 262 T C 1.286 176.022 174.700 0.061 0.000 1.018 262 T CA -0.093 62.050 62.100 0.072 0.000 1.075 262 T CB 1.799 70.752 68.868 0.141 0.000 0.986 262 T HN -0.010 nan 8.240 nan 0.000 0.523 263 G N 0.652 109.500 108.800 0.080 0.000 2.511 263 G HA2 0.355 4.315 3.960 0.001 0.000 0.217 263 G HA3 0.355 4.315 3.960 0.001 0.000 0.217 263 G C 0.714 175.673 174.900 0.098 0.000 1.133 263 G CA 0.129 45.272 45.100 0.071 0.000 0.792 263 G HN 1.188 nan 8.290 nan 0.000 0.539 264 A N -0.048 122.848 122.820 0.127 0.000 2.366 264 A HA 0.521 4.841 4.320 0.001 0.000 0.249 264 A C -0.308 177.419 177.584 0.237 0.000 1.084 264 A CA -0.681 51.459 52.037 0.171 0.000 0.794 264 A CB 0.231 19.334 19.000 0.172 0.000 1.034 264 A HN 0.332 nan 8.150 nan 0.000 0.491 265 F N 1.108 121.122 119.950 0.107 0.000 2.484 265 F HA 0.469 4.997 4.527 0.001 0.000 0.360 265 F C -0.605 175.315 175.800 0.201 0.000 1.101 265 F CA -0.153 57.927 58.000 0.134 0.000 1.251 265 F CB 0.221 39.277 39.000 0.093 0.000 1.132 265 F HN 0.408 nan 8.300 nan 0.000 0.570 266 F N 7.668 127.248 119.950 -0.616 0.000 2.518 266 F HA 0.480 5.008 4.527 0.000 0.000 0.323 266 F C -1.900 173.543 175.800 -0.595 0.000 1.129 266 F CA -0.956 56.794 58.000 -0.416 0.000 0.920 266 F CB 1.009 39.873 39.000 -0.227 0.000 1.160 266 F HN 0.398 nan 8.300 nan 0.000 0.440 267 F N 7.563 127.074 119.950 -0.731 0.000 2.460 267 F HA 0.554 5.081 4.527 0.000 0.000 0.341 267 F C -1.633 173.963 175.800 -0.340 0.000 1.130 267 F CA -0.973 56.768 58.000 -0.431 0.000 0.962 267 F CB 1.288 40.111 39.000 -0.295 0.000 1.171 267 F HN 0.389 nan 8.300 nan 0.000 0.436 268 L N 6.942 128.063 121.223 -0.170 0.000 2.312 268 L HA 0.608 4.948 4.340 0.001 0.000 0.281 268 L C -1.060 175.892 176.870 0.136 0.000 1.070 268 L CA -0.094 54.793 54.840 0.078 0.000 0.805 268 L CB 0.851 42.985 42.059 0.125 0.000 1.174 268 L HN 0.507 nan 8.230 nan 0.000 0.434 269 I N 5.166 125.880 120.570 0.240 0.000 2.411 269 I HA 0.337 4.507 4.170 0.001 0.000 0.284 269 I C -0.710 175.521 176.117 0.189 0.000 1.012 269 I CA -0.649 60.793 61.300 0.237 0.000 1.119 269 I CB 1.243 39.394 38.000 0.251 0.000 1.261 269 I HN 0.561 nan 8.210 nan 0.000 0.448 270 N N 4.590 123.374 118.700 0.141 0.000 2.472 270 N HA 0.182 4.922 4.740 0.001 0.000 0.277 270 N C 1.014 176.584 175.510 0.099 0.000 1.081 270 N CA -0.035 53.085 53.050 0.116 0.000 0.973 270 N CB 2.177 40.713 38.487 0.081 0.000 1.105 270 N HN 0.808 nan 8.380 nan 0.000 0.470 271 G N 3.385 112.238 108.800 0.089 0.000 2.545 271 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 271 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 271 G C -0.929 174.004 174.900 0.056 0.000 1.218 271 G CA 0.900 46.040 45.100 0.067 0.000 0.787 271 G HN 0.479 nan 8.290 nan 0.000 0.571 272 P HA -0.024 nan 4.420 nan 0.000 0.218 272 P C 1.764 179.089 177.300 0.042 0.000 1.149 272 P CA 0.999 64.122 63.100 0.039 0.000 0.817 272 P CB 0.051 31.771 31.700 0.033 0.000 0.785 273 E N -0.538 119.692 120.200 0.050 0.000 2.097 273 E HA -0.180 4.170 4.350 0.001 0.000 0.196 273 E C 1.888 178.523 176.600 0.058 0.000 1.000 273 E CA 1.172 57.604 56.400 0.052 0.000 0.804 273 E CB -0.414 29.322 29.700 0.061 0.000 0.740 273 E HN 0.151 nan 8.360 nan 0.000 0.454 274 I N 0.764 121.375 120.570 0.068 0.000 2.163 274 I HA -0.225 3.945 4.170 0.001 0.000 0.240 274 I C 2.233 178.380 176.117 0.051 0.000 1.081 274 I CA 0.965 62.306 61.300 0.069 0.000 1.353 274 I CB -0.858 37.190 38.000 0.080 0.000 1.054 274 I HN 0.170 nan 8.210 nan 0.000 0.407 275 M N 0.545 120.172 119.600 0.044 0.000 2.630 275 M HA -0.046 4.434 4.480 0.001 0.000 0.254 275 M C 2.307 178.624 176.300 0.030 0.000 1.092 275 M CA 0.871 56.192 55.300 0.034 0.000 1.087 275 M CB -1.573 31.045 32.600 0.031 0.000 1.453 275 M HN 0.346 nan 8.290 nan 0.000 0.509 276 S N -0.291 115.428 115.700 0.032 0.000 2.428 276 S HA 0.014 4.485 4.470 0.001 0.000 0.230 276 S C 0.991 175.607 174.600 0.026 0.000 1.014 276 S CA 0.258 58.474 58.200 0.027 0.000 0.957 276 S CB 0.106 63.322 63.200 0.027 0.000 0.784 276 S HN 0.390 nan 8.310 nan 0.000 0.499 277 K N 0.940 121.359 120.400 0.031 0.000 2.118 277 K HA 0.398 4.719 4.320 0.001 0.000 0.264 277 K C -0.171 176.445 176.600 0.026 0.000 1.000 277 K CA -0.597 55.708 56.287 0.030 0.000 0.929 277 K CB 0.856 33.379 32.500 0.038 0.000 1.021 277 K HN 0.240 nan 8.250 nan 0.000 0.463 278 L N 1.745 122.982 121.223 0.023 0.000 2.529 278 L HA -0.083 4.258 4.340 0.001 0.000 0.287 278 L C 0.587 177.468 176.870 0.019 0.000 1.241 278 L CA -0.168 54.684 54.840 0.019 0.000 0.857 278 L CB 0.233 42.303 42.059 0.017 0.000 1.113 278 L HN 0.756 nan 8.230 nan 0.000 0.504 279 A N 2.840 125.670 122.820 0.016 0.000 2.561 279 A HA 0.350 4.670 4.320 0.001 0.000 0.251 279 A C 1.233 178.824 177.584 0.012 0.000 1.062 279 A CA 0.727 52.772 52.037 0.014 0.000 0.761 279 A CB -0.461 18.545 19.000 0.011 0.000 0.986 279 A HN 1.144 nan 8.150 nan 0.000 0.510 280 G N 1.550 110.357 108.800 0.011 0.000 2.812 280 G HA2 -0.330 3.630 3.960 0.001 0.000 0.219 280 G HA3 -0.330 3.630 3.960 0.001 0.000 0.219 280 G C 1.147 176.055 174.900 0.014 0.000 1.275 280 G CA 0.739 45.845 45.100 0.009 0.000 0.769 280 G HN 0.825 nan 8.290 nan 0.000 0.527 281 E N 1.277 121.488 120.200 0.019 0.000 2.267 281 E HA -0.109 4.241 4.350 0.001 0.000 0.197 281 E C 2.590 179.211 176.600 0.034 0.000 0.998 281 E CA 1.883 58.299 56.400 0.026 0.000 0.830 281 E CB -0.112 29.604 29.700 0.026 0.000 0.751 281 E HN 0.733 nan 8.360 nan 0.000 0.491 282 S N -0.204 115.515 115.700 0.032 0.000 2.421 282 S HA -0.049 4.421 4.470 0.001 0.000 0.224 282 S C 1.712 176.333 174.600 0.034 0.000 1.035 282 S CA 0.429 58.652 58.200 0.039 0.000 0.953 282 S CB -0.064 63.158 63.200 0.037 0.000 0.810 282 S HN 0.125 nan 8.310 nan 0.000 0.497 283 E N 1.939 122.151 120.200 0.018 0.000 2.077 283 E HA -0.062 4.289 4.350 0.001 0.000 0.193 283 E C 2.210 178.812 176.600 0.004 0.000 0.989 283 E CA 1.204 57.606 56.400 0.003 0.000 0.800 283 E CB -0.396 29.300 29.700 -0.008 0.000 0.746 283 E HN 0.513 nan 8.360 nan 0.000 0.452 284 S N -0.167 115.541 115.700 0.014 0.000 2.383 284 S HA -0.132 4.338 4.470 0.001 0.000 0.227 284 S C 1.661 176.283 174.600 0.036 0.000 1.026 284 S CA 1.432 59.643 58.200 0.019 0.000 0.981 284 S CB -0.271 62.942 63.200 0.021 0.000 0.818 284 S HN 0.274 nan 8.310 nan 0.000 0.472 285 N N 0.435 119.168 118.700 0.055 0.000 2.188 285 N HA 0.038 4.779 4.740 0.001 0.000 0.184 285 N C 1.740 177.307 175.510 0.095 0.000 1.018 285 N CA 1.057 54.160 53.050 0.088 0.000 0.858 285 N CB -0.137 38.414 38.487 0.107 0.000 0.989 285 N HN 0.307 nan 8.380 nan 0.000 0.426 286 L N 0.887 122.160 121.223 0.082 0.000 1.994 286 L HA -0.174 4.166 4.340 0.001 0.000 0.208 286 L C 2.645 179.570 176.870 0.092 0.000 1.071 286 L CA 1.129 56.031 54.840 0.105 0.000 0.745 286 L CB -0.323 41.762 42.059 0.043 0.000 0.892 286 L HN 0.201 nan 8.230 nan 0.000 0.431 287 R N 0.424 120.933 120.500 0.014 0.000 2.112 287 R HA -0.287 4.053 4.340 0.001 0.000 0.242 287 R C 2.373 178.687 176.300 0.024 0.000 1.137 287 R CA 2.325 58.423 56.100 -0.003 0.000 0.944 287 R CB -0.223 30.067 30.300 -0.017 0.000 0.857 287 R HN 0.238 nan 8.270 nan 0.000 0.435 288 K N -0.401 120.005 120.400 0.009 0.000 2.057 288 K HA -0.120 4.200 4.320 0.001 0.000 0.207 288 K C 1.935 178.433 176.600 -0.171 0.000 1.049 288 K CA 1.407 57.681 56.287 -0.022 0.000 0.931 288 K CB -0.158 32.362 32.500 0.033 0.000 0.714 288 K HN 0.272 nan 8.250 nan 0.000 0.440 289 A N 0.317 122.966 122.820 -0.286 0.000 1.933 289 A HA -0.132 4.189 4.320 0.001 0.000 0.218 289 A C 1.883 179.130 177.584 -0.561 0.000 1.175 289 A CA 1.295 52.801 52.037 -0.885 0.000 0.628 289 A CB -0.666 18.008 19.000 -0.543 0.000 0.814 289 A HN 0.363 nan 8.150 nan 0.000 0.444 290 F N -0.057 119.710 119.950 -0.305 0.000 2.234 290 F HA 0.009 4.536 4.527 0.001 0.000 0.296 290 F C 2.391 178.105 175.800 -0.143 0.000 1.089 290 F CA 1.497 59.387 58.000 -0.184 0.000 1.343 290 F CB -0.202 38.725 39.000 -0.122 0.000 1.040 290 F HN 0.290 nan 8.300 nan 0.000 0.498 291 E N -0.290 119.937 120.200 0.044 0.000 2.150 291 E HA -0.220 4.131 4.350 0.001 0.000 0.193 291 E C 1.889 178.457 176.600 -0.055 0.000 0.985 291 E CA 1.135 57.533 56.400 -0.004 0.000 0.814 291 E CB -0.096 29.601 29.700 -0.005 0.000 0.752 291 E HN 0.319 nan 8.360 nan 0.000 0.466 292 E N 0.954 121.090 120.200 -0.107 0.000 2.028 292 E HA -0.153 4.197 4.350 0.001 0.000 0.191 292 E C 1.930 178.503 176.600 -0.045 0.000 0.988 292 E CA 1.315 57.674 56.400 -0.070 0.000 0.799 292 E CB -0.152 29.515 29.700 -0.055 0.000 0.755 292 E HN 0.229 nan 8.360 nan 0.000 0.447 293 A N 0.616 123.437 122.820 0.002 0.000 1.883 293 A HA -0.253 4.067 4.320 0.001 0.000 0.217 293 A C 2.109 179.682 177.584 -0.020 0.000 1.186 293 A CA 1.891 53.989 52.037 0.102 0.000 0.624 293 A CB -0.716 18.244 19.000 -0.066 0.000 0.822 293 A HN 0.344 nan 8.150 nan 0.000 0.444 294 E N -0.648 119.523 120.200 -0.050 0.000 2.085 294 E HA -0.225 4.126 4.350 0.001 0.000 0.194 294 E C 2.141 178.705 176.600 -0.060 0.000 0.994 294 E CA 1.472 57.852 56.400 -0.034 0.000 0.801 294 E CB -0.092 29.602 29.700 -0.011 0.000 0.743 294 E HN 0.604 nan 8.360 nan 0.000 0.453 295 K N 0.690 121.029 120.400 -0.102 0.000 2.097 295 K HA -0.096 4.224 4.320 0.001 0.000 0.205 295 K C -0.002 176.481 176.600 -0.196 0.000 1.050 295 K CA 0.920 57.130 56.287 -0.129 0.000 0.938 295 K CB 0.038 32.460 32.500 -0.131 0.000 0.718 295 K HN 0.006 nan 8.250 nan 0.000 0.442 296 N N 0.942 119.436 118.700 -0.342 0.000 3.083 296 N HA 0.148 4.888 4.740 0.001 0.000 0.260 296 N C 0.195 175.589 175.510 -0.193 0.000 1.163 296 N CA 0.177 52.958 53.050 -0.448 0.000 1.060 296 N CB 1.205 38.969 38.487 -1.204 0.000 1.345 296 N HN 0.199 nan 8.380 nan 0.000 0.515 297 A N 3.270 126.028 122.820 -0.104 0.000 2.030 297 A HA -0.216 4.104 4.320 0.001 0.000 0.266 297 A C -1.293 176.306 177.584 0.024 0.000 2.529 297 A CA 1.410 53.429 52.037 -0.029 0.000 0.955 297 A CB -1.936 17.036 19.000 -0.045 0.000 0.765 297 A HN 0.397 nan 8.150 nan 0.000 0.502 298 P HA 0.589 nan 4.420 nan 0.000 0.292 298 P C -0.878 176.504 177.300 0.137 0.000 1.326 298 P CA 0.477 63.614 63.100 0.062 0.000 0.787 298 P CB 1.269 32.972 31.700 0.005 0.000 0.903 299 A N 4.002 126.907 122.820 0.143 0.000 2.515 299 A HA 0.828 5.149 4.320 0.001 0.000 0.296 299 A C -1.080 176.546 177.584 0.071 0.000 1.094 299 A CA -0.792 51.363 52.037 0.197 0.000 0.718 299 A CB 1.170 20.356 19.000 0.311 0.000 1.307 299 A HN 0.417 nan 8.150 nan 0.000 0.408 300 I N 1.596 122.170 120.570 0.006 0.000 2.410 300 I HA 0.338 4.509 4.170 0.001 0.000 0.286 300 I C -0.902 174.991 176.117 -0.374 0.000 1.009 300 I CA -0.167 61.050 61.300 -0.139 0.000 1.111 300 I CB 1.613 39.587 38.000 -0.043 0.000 1.262 300 I HN 0.456 nan 8.210 nan 0.000 0.443 301 I N 6.030 126.411 120.570 -0.316 0.000 2.312 301 I HA 0.237 4.407 4.170 0.001 0.000 0.291 301 I C -0.594 175.365 176.117 -0.262 0.000 1.031 301 I CA -0.245 60.853 61.300 -0.338 0.000 1.293 301 I CB 0.649 38.372 38.000 -0.462 0.000 1.403 301 I HN 0.436 nan 8.210 nan 0.000 0.484 302 F N 7.615 127.316 119.950 -0.415 0.000 2.385 302 F HA 0.497 5.024 4.527 0.001 0.000 0.360 302 F C 0.065 175.856 175.800 -0.016 0.000 1.122 302 F CA -0.516 57.380 58.000 -0.173 0.000 1.090 302 F CB 0.767 39.708 39.000 -0.099 0.000 1.150 302 F HN 0.279 nan 8.300 nan 0.000 0.472 303 I N 5.418 125.903 120.570 -0.142 0.000 2.282 303 I HA 0.131 4.301 4.170 0.001 0.000 0.290 303 I C -0.350 175.778 176.117 0.020 0.000 1.090 303 I CA -0.465 60.842 61.300 0.012 0.000 1.231 303 I CB 0.193 38.202 38.000 0.014 0.000 1.434 303 I HN 0.436 nan 8.210 nan 0.000 0.487 304 D N 6.530 127.120 120.400 0.316 0.000 2.350 304 D HA 0.075 4.716 4.640 0.001 0.000 0.249 304 D C 0.233 176.625 176.300 0.153 0.000 1.119 304 D CA 0.366 54.573 54.000 0.345 0.000 0.886 304 D CB 0.651 41.660 40.800 0.349 0.000 1.195 304 D HN 0.493 nan 8.370 nan 0.000 0.437 305 E N 1.457 121.724 120.200 0.111 0.000 2.246 305 E HA -0.244 4.106 4.350 0.001 0.000 0.211 305 E C 0.737 177.345 176.600 0.013 0.000 1.278 305 E CA -0.232 56.200 56.400 0.053 0.000 0.694 305 E CB -0.993 28.742 29.700 0.057 0.000 1.166 305 E HN 0.368 nan 8.360 nan 0.000 0.370 306 L N 2.151 123.349 121.223 -0.042 0.000 2.013 306 L HA -0.241 4.099 4.340 0.001 0.000 0.212 306 L C 2.332 179.169 176.870 -0.055 0.000 1.073 306 L CA 2.792 57.577 54.840 -0.091 0.000 0.753 306 L CB -0.369 41.547 42.059 -0.238 0.000 0.890 306 L HN 0.519 nan 8.230 nan 0.000 0.432 307 D N -0.614 119.759 120.400 -0.045 0.000 2.239 307 D HA -0.282 4.358 4.640 0.001 0.000 0.202 307 D C 1.857 178.154 176.300 -0.005 0.000 0.993 307 D CA 1.430 55.416 54.000 -0.024 0.000 0.874 307 D CB -0.396 40.395 40.800 -0.015 0.000 0.922 307 D HN 0.491 nan 8.370 nan 0.000 0.464 308 A N 1.390 124.213 122.820 0.005 0.000 1.902 308 A HA -0.064 4.256 4.320 0.001 0.000 0.217 308 A C 2.531 180.126 177.584 0.018 0.000 1.181 308 A CA 1.886 53.933 52.037 0.016 0.000 0.623 308 A CB -0.705 18.310 19.000 0.025 0.000 0.818 308 A HN 0.540 nan 8.150 nan 0.000 0.443 309 I N -5.283 115.297 120.570 0.017 0.000 3.526 309 I HA 0.481 4.652 4.170 0.001 0.000 0.294 309 I C 1.191 177.318 176.117 0.016 0.000 1.229 309 I CA 0.749 62.063 61.300 0.023 0.000 1.408 309 I CB 0.459 38.482 38.000 0.039 0.000 1.127 309 I HN 0.125 nan 8.210 nan 0.000 0.439 310 A N 3.381 126.203 122.820 0.004 0.000 3.201 310 A HA 0.604 4.924 4.320 0.001 0.000 0.312 310 A C -2.652 174.929 177.584 -0.004 0.000 1.011 310 A CA -1.256 50.783 52.037 0.003 0.000 0.987 310 A CB -0.599 18.404 19.000 0.005 0.000 1.060 310 A HN 0.179 nan 8.150 nan 0.000 0.505 311 P HA 0.217 nan 4.420 nan 0.000 0.278 311 P C -0.665 176.635 177.300 0.001 0.000 1.266 311 P CA -0.496 62.604 63.100 0.001 0.000 0.807 311 P CB 0.711 32.417 31.700 0.010 0.000 1.094 312 K N 1.322 121.721 120.400 -0.002 0.000 2.366 312 K HA -0.018 4.302 4.320 0.001 0.000 0.279 312 K C 1.560 178.155 176.600 -0.008 0.000 1.098 312 K CA 0.334 56.618 56.287 -0.005 0.000 1.087 312 K CB -0.097 32.400 32.500 -0.006 0.000 0.901 312 K HN 0.304 nan 8.250 nan 0.000 0.463 313 R N 2.112 122.606 120.500 -0.010 0.000 2.267 313 R HA -0.269 4.072 4.340 0.001 0.000 0.259 313 R C 1.331 177.612 176.300 -0.031 0.000 1.192 313 R CA 1.588 57.678 56.100 -0.017 0.000 1.013 313 R CB -0.033 30.258 30.300 -0.015 0.000 0.877 313 R HN 0.655 nan 8.270 nan 0.000 0.474 314 E N 0.383 120.565 120.200 -0.031 0.000 2.005 314 E HA -0.154 4.197 4.350 0.001 0.000 0.191 314 E C 0.939 177.502 176.600 -0.062 0.000 0.987 314 E CA 0.730 57.102 56.400 -0.047 0.000 0.814 314 E CB 0.014 29.694 29.700 -0.034 0.000 0.772 314 E HN 0.054 nan 8.360 nan 0.000 0.453 315 K N 1.484 121.868 120.400 -0.027 0.000 3.000 315 K HA 0.002 4.322 4.320 0.001 0.000 0.265 315 K C -1.088 175.535 176.600 0.038 0.000 1.260 315 K CA 0.310 56.599 56.287 0.004 0.000 1.209 315 K CB -0.106 32.408 32.500 0.023 0.000 1.484 315 K HN -0.069 nan 8.250 nan 0.000 0.283 316 T N 0.184 114.739 114.554 0.001 0.000 3.293 316 T HA 0.160 4.511 4.350 0.001 0.000 0.320 316 T C 0.206 174.913 174.700 0.012 0.000 0.995 316 T CA -0.760 61.373 62.100 0.054 0.000 1.041 316 T CB 0.709 69.596 68.868 0.030 0.000 1.058 316 T HN 0.465 nan 8.240 nan 0.000 0.453 317 H N 2.676 121.746 119.070 -0.001 0.000 2.415 317 H HA 0.198 4.754 4.556 -0.000 0.000 0.297 317 H C 1.506 176.834 175.328 -0.001 0.000 1.048 317 H CA 0.473 56.521 56.048 -0.001 0.000 1.365 317 H CB 0.350 30.112 29.762 -0.000 0.000 1.421 317 H HN 0.681 nan 8.280 nan 0.000 0.533 318 G N 0.754 109.623 108.800 0.115 0.000 2.380 318 G HA2 0.029 3.989 3.960 0.001 0.000 0.262 318 G HA3 0.029 3.989 3.960 0.001 0.000 0.262 318 G C 0.581 175.501 174.900 0.033 0.000 1.243 318 G CA -0.357 44.780 45.100 0.062 0.000 0.865 318 G HN 0.320 nan 8.290 nan 0.000 0.513 319 E N 1.074 121.287 120.200 0.022 0.000 2.085 319 E HA -0.169 4.181 4.350 0.001 0.000 0.194 319 E C 2.631 179.236 176.600 0.008 0.000 0.994 319 E CA 1.061 57.466 56.400 0.009 0.000 0.801 319 E CB 0.006 29.710 29.700 0.007 0.000 0.743 319 E HN 0.386 nan 8.360 nan 0.000 0.453 320 V N 1.517 121.438 119.914 0.011 0.000 2.392 320 V HA -0.271 3.849 4.120 0.001 0.000 0.249 320 V C 1.973 178.073 176.094 0.010 0.000 1.059 320 V CA 1.966 64.272 62.300 0.010 0.000 1.051 320 V CB -0.545 31.285 31.823 0.013 0.000 0.658 320 V HN 0.249 nan 8.190 nan 0.000 0.455 321 E N -0.024 120.185 120.200 0.016 0.000 2.072 321 E HA -0.197 4.154 4.350 0.001 0.000 0.191 321 E C 2.476 179.082 176.600 0.010 0.000 0.985 321 E CA 1.095 57.506 56.400 0.017 0.000 0.801 321 E CB -0.209 29.507 29.700 0.027 0.000 0.750 321 E HN 0.517 nan 8.360 nan 0.000 0.452 322 R N 0.535 121.038 120.500 0.006 0.000 2.096 322 R HA -0.061 4.280 4.340 0.001 0.000 0.235 322 R C 2.439 178.734 176.300 -0.007 0.000 1.127 322 R CA 0.990 57.088 56.100 -0.004 0.000 0.968 322 R CB -0.147 30.148 30.300 -0.010 0.000 0.861 322 R HN 0.029 nan 8.270 nan 0.000 0.440 323 R N 0.736 121.232 120.500 -0.006 0.000 2.096 323 R HA -0.092 4.248 4.340 0.001 0.000 0.235 323 R C 2.023 178.314 176.300 -0.015 0.000 1.127 323 R CA 1.299 57.392 56.100 -0.012 0.000 0.968 323 R CB -0.131 30.163 30.300 -0.009 0.000 0.861 323 R HN 0.200 nan 8.270 nan 0.000 0.440 324 I N 0.084 120.649 120.570 -0.008 0.000 2.353 324 I HA -0.229 3.941 4.170 0.001 0.000 0.248 324 I C 2.115 178.224 176.117 -0.013 0.000 1.119 324 I CA 0.748 62.043 61.300 -0.009 0.000 1.417 324 I CB 0.002 38.005 38.000 0.006 0.000 1.078 324 I HN -0.023 nan 8.210 nan 0.000 0.421 325 V N -0.202 119.708 119.914 -0.006 0.000 2.343 325 V HA -0.272 3.848 4.120 0.001 0.000 0.247 325 V C 2.493 178.577 176.094 -0.018 0.000 1.051 325 V CA 2.086 64.384 62.300 -0.004 0.000 1.036 325 V CB -0.817 31.007 31.823 0.001 0.000 0.654 325 V HN 0.359 nan 8.190 nan 0.000 0.451 326 S N -0.371 115.314 115.700 -0.025 0.000 2.356 326 S HA -0.303 4.167 4.470 0.001 0.000 0.223 326 S C 2.058 176.622 174.600 -0.060 0.000 1.032 326 S CA 1.930 60.108 58.200 -0.036 0.000 1.005 326 S CB -0.370 62.811 63.200 -0.031 0.000 0.867 326 S HN 0.671 nan 8.310 nan 0.000 0.449 327 Q N 0.884 120.645 119.800 -0.065 0.000 2.135 327 Q HA -0.103 4.238 4.340 0.001 0.000 0.204 327 Q C 1.983 177.884 176.000 -0.165 0.000 0.981 327 Q CA 1.275 57.018 55.803 -0.100 0.000 0.856 327 Q CB -0.438 28.253 28.738 -0.078 0.000 0.902 327 Q HN 0.442 nan 8.270 nan 0.000 0.425 328 L N -0.521 120.623 121.223 -0.132 0.000 2.044 328 L HA -0.012 4.328 4.340 0.001 0.000 0.205 328 L C 1.980 178.745 176.870 -0.174 0.000 1.075 328 L CA 1.547 56.286 54.840 -0.168 0.000 0.747 328 L CB -0.601 41.438 42.059 -0.032 0.000 0.903 328 L HN 0.382 nan 8.230 nan 0.000 0.435 329 L N -0.898 120.271 121.223 -0.090 0.000 2.042 329 L HA -0.260 4.080 4.340 0.001 0.000 0.210 329 L C 2.353 179.155 176.870 -0.114 0.000 1.076 329 L CA 1.935 56.730 54.840 -0.074 0.000 0.749 329 L CB -1.081 40.956 42.059 -0.038 0.000 0.893 329 L HN 0.295 nan 8.230 nan 0.000 0.432 330 T N 0.164 114.641 114.554 -0.129 0.000 2.720 330 T HA -0.183 4.167 4.350 0.001 0.000 0.268 330 T C 1.911 176.496 174.700 -0.191 0.000 1.037 330 T CA 1.381 63.400 62.100 -0.134 0.000 1.144 330 T CB -0.258 68.538 68.868 -0.120 0.000 0.864 330 T HN 0.194 nan 8.240 nan 0.000 0.444 331 L N 0.140 121.163 121.223 -0.334 0.000 2.044 331 L HA -0.043 4.297 4.340 0.001 0.000 0.205 331 L C 2.799 179.481 176.870 -0.312 0.000 1.075 331 L CA 0.801 55.324 54.840 -0.529 0.000 0.747 331 L CB -0.586 40.688 42.059 -1.307 0.000 0.903 331 L HN 0.197 nan 8.230 nan 0.000 0.435 332 M N -0.217 119.239 119.600 -0.240 0.000 2.089 332 M HA -0.253 4.228 4.480 0.001 0.000 0.257 332 M C 1.782 178.033 176.300 -0.082 0.000 1.071 332 M CA 1.824 57.076 55.300 -0.080 0.000 1.096 332 M CB -1.188 31.328 32.600 -0.141 0.000 1.330 332 M HN 0.245 nan 8.290 nan 0.000 0.403 333 D N -0.541 119.804 120.400 -0.092 0.000 2.277 333 D HA 0.012 4.652 4.640 0.001 0.000 0.208 333 D C 2.029 178.296 176.300 -0.055 0.000 0.962 333 D CA 1.143 55.103 54.000 -0.066 0.000 0.865 333 D CB -0.451 40.316 40.800 -0.055 0.000 0.939 333 D HN 0.470 nan 8.370 nan 0.000 0.510 334 G N 0.334 109.096 108.800 -0.064 0.000 2.511 334 G HA2 -0.024 3.937 3.960 0.001 0.000 0.217 334 G HA3 -0.024 3.937 3.960 0.001 0.000 0.217 334 G C 0.740 175.628 174.900 -0.020 0.000 1.133 334 G CA -0.156 44.915 45.100 -0.048 0.000 0.792 334 G HN 0.209 nan 8.290 nan 0.000 0.539 335 L N 1.781 123.004 121.223 0.001 0.000 2.456 335 L HA 0.197 4.537 4.340 0.001 0.000 0.277 335 L C 0.606 177.455 176.870 -0.036 0.000 1.124 335 L CA -0.195 54.647 54.840 0.003 0.000 0.880 335 L CB 0.595 42.666 42.059 0.020 0.000 1.192 335 L HN 0.044 nan 8.230 nan 0.000 0.463 336 K N 2.078 122.453 120.400 -0.041 0.000 2.149 336 K HA 0.054 4.374 4.320 0.001 0.000 0.245 336 K C 0.895 177.441 176.600 -0.091 0.000 1.024 336 K CA -0.798 55.456 56.287 -0.055 0.000 0.899 336 K CB 0.670 33.144 32.500 -0.044 0.000 1.038 336 K HN 0.483 nan 8.250 nan 0.000 0.496 337 Q N 1.144 120.888 119.800 -0.093 0.000 2.062 337 Q HA -0.214 4.126 4.340 0.001 0.000 0.209 337 Q C 1.484 177.345 176.000 -0.232 0.000 0.996 337 Q CA 1.882 57.607 55.803 -0.130 0.000 0.859 337 Q CB -0.524 28.163 28.738 -0.085 0.000 0.920 337 Q HN 0.474 nan 8.270 nan 0.000 0.415 338 R N 0.461 120.837 120.500 -0.208 0.000 2.391 338 R HA 0.302 4.643 4.340 0.001 0.000 0.225 338 R C 1.469 177.604 176.300 -0.275 0.000 1.079 338 R CA 0.778 56.703 56.100 -0.292 0.000 1.147 338 R CB -0.884 29.357 30.300 -0.099 0.000 1.103 338 R HN 0.178 nan 8.270 nan 0.000 0.499 339 A N 0.627 123.303 122.820 -0.239 0.000 1.975 339 A HA -0.039 4.281 4.320 0.001 0.000 0.215 339 A C 0.068 177.640 177.584 -0.020 0.000 1.170 339 A CA 0.394 52.374 52.037 -0.095 0.000 0.656 339 A CB -0.513 18.449 19.000 -0.064 0.000 0.821 339 A HN 0.634 nan 8.150 nan 0.000 0.449 340 H N -1.523 117.523 119.070 -0.039 0.000 2.748 340 H HA -0.120 4.437 4.556 0.001 0.000 0.322 340 H C -0.973 174.330 175.328 -0.042 0.000 1.208 340 H CA 0.678 56.701 56.048 -0.041 0.000 1.151 340 H CB -2.375 27.373 29.762 -0.023 0.000 1.505 340 H HN 0.257 nan 8.280 nan 0.000 0.429 341 V N 2.716 122.628 119.914 -0.005 0.000 2.483 341 V HA 0.362 4.483 4.120 0.001 0.000 0.297 341 V C 0.428 176.468 176.094 -0.090 0.000 1.027 341 V CA -0.733 61.541 62.300 -0.042 0.000 0.855 341 V CB 2.574 34.349 31.823 -0.080 0.000 0.995 341 V HN 0.193 nan 8.190 nan 0.000 0.424 342 I N 5.244 125.764 120.570 -0.083 0.000 2.362 342 I HA 0.425 4.595 4.170 0.001 0.000 0.289 342 I C -0.097 175.947 176.117 -0.122 0.000 0.994 342 I CA -0.695 60.545 61.300 -0.100 0.000 1.158 342 I CB 1.715 39.682 38.000 -0.055 0.000 1.315 342 I HN 0.241 nan 8.210 nan 0.000 0.451 343 V N 7.182 127.004 119.914 -0.153 0.000 2.364 343 V HA 0.373 4.493 4.120 0.001 0.000 0.272 343 V C 0.452 176.567 176.094 0.035 0.000 1.036 343 V CA -0.367 61.859 62.300 -0.123 0.000 0.880 343 V CB 1.117 32.840 31.823 -0.167 0.000 0.991 343 V HN 0.638 nan 8.190 nan 0.000 0.460 344 M N 4.179 123.749 119.600 -0.050 0.000 2.363 344 M HA 0.779 5.259 4.480 0.001 0.000 0.343 344 M C -0.093 175.880 176.300 -0.545 0.000 1.165 344 M CA -0.243 54.947 55.300 -0.183 0.000 1.046 344 M CB 1.995 34.477 32.600 -0.196 0.000 1.648 344 M HN 0.728 nan 8.290 nan 0.000 0.452 345 A N 1.953 124.432 122.820 -0.568 0.000 2.498 345 A HA 0.969 5.289 4.320 0.001 0.000 0.298 345 A C -1.551 175.730 177.584 -0.506 0.000 1.075 345 A CA -0.684 50.923 52.037 -0.717 0.000 0.714 345 A CB 1.615 20.128 19.000 -0.812 0.000 1.299 345 A HN 0.863 nan 8.150 nan 0.000 0.407 346 A N 0.370 123.022 122.820 -0.281 0.000 2.386 346 A HA 0.936 5.257 4.320 0.001 0.000 0.311 346 A C -0.327 177.264 177.584 0.012 0.000 1.068 346 A CA -0.114 51.933 52.037 0.017 0.000 0.743 346 A CB 1.675 20.863 19.000 0.313 0.000 1.258 346 A HN 1.823 nan 8.150 nan 0.000 0.429 347 T N -0.287 114.289 114.554 0.037 0.000 2.889 347 T HA 0.453 4.803 4.350 0.001 0.000 0.315 347 T C -0.148 174.592 174.700 0.068 0.000 1.291 347 T CA -0.064 62.055 62.100 0.032 0.000 1.028 347 T CB 1.073 69.932 68.868 -0.015 0.000 1.235 347 T HN 0.891 nan 8.240 nan 0.000 0.491 348 N N 1.642 120.374 118.700 0.052 0.000 2.205 348 N HA 0.230 4.970 4.740 0.001 0.000 0.201 348 N C 0.288 175.829 175.510 0.050 0.000 1.128 348 N CA -0.308 52.777 53.050 0.058 0.000 0.867 348 N CB 0.354 38.866 38.487 0.040 0.000 0.996 348 N HN 0.389 nan 8.380 nan 0.000 0.503 349 R N 0.677 121.197 120.500 0.033 0.000 2.644 349 R HA 0.250 4.590 4.340 0.001 0.000 0.271 349 R C -2.017 174.278 176.300 -0.009 0.000 1.687 349 R CA -1.324 54.785 56.100 0.014 0.000 1.655 349 R CB 1.273 31.577 30.300 0.006 0.000 1.285 349 R HN 0.147 nan 8.270 nan 0.000 0.643 350 P HA -0.130 nan 4.420 nan 0.000 0.220 350 P C 0.206 177.453 177.300 -0.089 0.000 1.148 350 P CA 1.092 64.143 63.100 -0.081 0.000 0.803 350 P CB 0.380 31.969 31.700 -0.185 0.000 0.782 351 N N -0.182 118.477 118.700 -0.068 0.000 2.521 351 N HA -0.039 4.701 4.740 0.001 0.000 0.188 351 N C 1.364 176.854 175.510 -0.034 0.000 1.146 351 N CA 0.762 53.779 53.050 -0.055 0.000 0.893 351 N CB -0.444 38.016 38.487 -0.046 0.000 0.975 351 N HN 0.278 nan 8.380 nan 0.000 0.451 352 S N -0.808 114.875 115.700 -0.029 0.000 2.557 352 S HA 0.272 4.742 4.470 0.001 0.000 0.223 352 S C 0.482 175.070 174.600 -0.021 0.000 0.969 352 S CA -0.502 57.687 58.200 -0.018 0.000 0.927 352 S CB -0.106 63.089 63.200 -0.008 0.000 0.806 352 S HN 0.031 nan 8.310 nan 0.000 0.489 353 I N 2.443 122.992 120.570 -0.034 0.000 2.440 353 I HA 0.232 4.402 4.170 0.001 0.000 0.294 353 I C 0.319 176.423 176.117 -0.021 0.000 0.995 353 I CA -0.678 60.601 61.300 -0.035 0.000 1.306 353 I CB 0.751 38.713 38.000 -0.064 0.000 1.407 353 I HN 0.120 nan 8.210 nan 0.000 0.501 354 D N 7.969 128.364 120.400 -0.008 0.000 2.520 354 D HA -0.023 4.618 4.640 0.001 0.000 0.243 354 D C -1.661 174.645 176.300 0.010 0.000 1.160 354 D CA -0.958 53.043 54.000 0.002 0.000 0.877 354 D CB 1.365 42.169 40.800 0.008 0.000 1.150 354 D HN 0.232 nan 8.370 nan 0.000 0.494 355 P HA -0.073 nan 4.420 nan 0.000 0.222 355 P C 0.973 178.290 177.300 0.028 0.000 1.147 355 P CA 0.940 64.046 63.100 0.011 0.000 0.790 355 P CB 0.148 31.850 31.700 0.004 0.000 0.780 356 A N -0.490 122.345 122.820 0.026 0.000 1.978 356 A HA -0.185 4.135 4.320 0.001 0.000 0.220 356 A C 2.038 179.652 177.584 0.051 0.000 1.170 356 A CA 1.489 53.545 52.037 0.032 0.000 0.636 356 A CB -1.664 17.347 19.000 0.019 0.000 0.810 356 A HN 0.149 nan 8.150 nan 0.000 0.448 357 L N -1.098 120.171 121.223 0.075 0.000 2.291 357 L HA -0.028 4.313 4.340 0.001 0.000 0.214 357 L C 2.372 179.361 176.870 0.198 0.000 1.120 357 L CA 1.075 56.006 54.840 0.152 0.000 0.799 357 L CB -0.114 42.062 42.059 0.195 0.000 0.925 357 L HN 0.258 nan 8.230 nan 0.000 0.446 358 R N -1.088 119.485 120.500 0.122 0.000 2.359 358 R HA 0.141 4.481 4.340 0.001 0.000 0.231 358 R C 0.509 176.858 176.300 0.081 0.000 0.913 358 R CA -0.200 55.966 56.100 0.110 0.000 1.075 358 R CB 0.291 30.622 30.300 0.052 0.000 1.087 358 R HN 0.169 nan 8.270 nan 0.000 0.515 359 R N 0.023 120.568 120.500 0.076 0.000 2.649 359 R HA 0.083 4.423 4.340 0.001 0.000 0.270 359 R C -0.285 176.076 176.300 0.102 0.000 1.105 359 R CA -0.407 55.747 56.100 0.092 0.000 1.193 359 R CB 0.212 30.562 30.300 0.084 0.000 1.120 359 R HN -0.099 nan 8.270 nan 0.000 0.561 360 F N 1.027 120.975 119.950 -0.003 0.000 2.612 360 F HA 0.106 4.633 4.527 0.000 0.000 0.389 360 F C 1.385 177.167 175.800 -0.030 0.000 1.055 360 F CA 2.170 60.163 58.000 -0.012 0.000 1.232 360 F CB 0.231 39.225 39.000 -0.009 0.000 1.044 360 F HN 0.730 nan 8.300 nan 0.000 0.560 361 G N 4.130 112.570 108.800 -0.601 0.000 2.268 361 G HA2 -0.325 3.635 3.960 0.001 0.000 0.240 361 G HA3 -0.325 3.635 3.960 0.001 0.000 0.240 361 G C 0.864 175.590 174.900 -0.290 0.000 1.010 361 G CA 0.413 45.256 45.100 -0.428 0.000 0.618 361 G HN 0.709 nan 8.290 nan 0.000 0.516 362 R N -0.681 119.682 120.500 -0.228 0.000 1.364 362 R HA 0.672 5.012 4.340 0.001 0.000 0.097 362 R C 0.225 176.289 176.300 -0.393 0.000 0.962 362 R CA -0.268 55.657 56.100 -0.292 0.000 1.960 362 R CB -0.476 29.751 30.300 -0.122 0.000 1.053 362 R HN 0.077 nan 8.270 nan 0.000 0.714 363 F N 2.518 122.434 119.950 -0.057 0.000 2.679 363 F HA 0.069 4.596 4.527 0.001 0.000 0.351 363 F C 0.565 176.332 175.800 -0.055 0.000 1.279 363 F CA -0.093 57.873 58.000 -0.057 0.000 1.227 363 F CB -0.164 38.809 39.000 -0.044 0.000 1.623 363 F HN 0.413 nan 8.300 nan 0.000 0.666 364 D N 0.132 120.529 120.400 -0.006 0.000 2.340 364 D HA 0.027 4.667 4.640 0.001 0.000 0.217 364 D C 0.486 176.793 176.300 0.010 0.000 1.081 364 D CA 0.066 54.050 54.000 -0.026 0.000 0.842 364 D CB 0.264 40.957 40.800 -0.177 0.000 0.934 364 D HN 0.156 nan 8.370 nan 0.000 0.511 365 R N 0.724 121.253 120.500 0.049 0.000 2.686 365 R HA 0.415 4.755 4.340 0.001 0.000 0.283 365 R C -0.537 175.836 176.300 0.121 0.000 0.978 365 R CA -0.419 55.725 56.100 0.072 0.000 0.897 365 R CB 2.095 32.424 30.300 0.048 0.000 1.192 365 R HN 0.140 nan 8.270 nan 0.000 0.457 366 E N 2.014 122.301 120.200 0.145 0.000 2.199 366 E HA 0.373 4.723 4.350 0.001 0.000 0.265 366 E C -0.705 176.032 176.600 0.229 0.000 0.882 366 E CA -0.930 55.613 56.400 0.237 0.000 0.759 366 E CB 2.888 32.762 29.700 0.291 0.000 1.148 366 E HN 0.113 nan 8.360 nan 0.000 0.412 367 V N 2.286 122.308 119.914 0.181 0.000 2.357 367 V HA 0.093 4.213 4.120 0.001 0.000 0.284 367 V C -0.265 175.708 176.094 -0.202 0.000 1.018 367 V CA -0.762 61.562 62.300 0.040 0.000 0.841 367 V CB 1.473 33.321 31.823 0.043 0.000 0.991 367 V HN 0.605 nan 8.190 nan 0.000 0.437 368 D N 5.343 125.546 120.400 -0.328 0.000 2.453 368 D HA 0.186 4.827 4.640 0.001 0.000 0.223 368 D C 0.133 176.216 176.300 -0.362 0.000 1.183 368 D CA -0.463 53.115 54.000 -0.704 0.000 0.933 368 D CB 0.415 40.937 40.800 -0.463 0.000 1.038 368 D HN 0.272 nan 8.370 nan 0.000 0.513 369 I N 3.998 124.374 120.570 -0.323 0.000 2.270 369 I HA 0.244 4.414 4.170 0.001 0.000 0.300 369 I C 1.403 177.436 176.117 -0.139 0.000 1.186 369 I CA -0.288 60.921 61.300 -0.151 0.000 1.431 369 I CB -0.466 37.492 38.000 -0.070 0.000 1.485 369 I HN 0.233 nan 8.210 nan 0.000 0.650 370 G N 5.379 114.107 108.800 -0.120 0.000 2.494 370 G HA2 0.524 4.484 3.960 0.001 0.000 0.270 370 G HA3 0.524 4.484 3.960 0.001 0.000 0.270 370 G C 0.112 174.987 174.900 -0.042 0.000 1.423 370 G CA -0.782 44.272 45.100 -0.078 0.000 1.055 370 G HN 0.424 nan 8.290 nan 0.000 0.536 371 I N 2.614 123.167 120.570 -0.028 0.000 2.533 371 I HA 0.143 4.313 4.170 0.001 0.000 0.284 371 I C -1.394 174.716 176.117 -0.011 0.000 1.109 371 I CA -1.092 60.194 61.300 -0.024 0.000 1.412 371 I CB 1.034 39.014 38.000 -0.034 0.000 1.396 371 I HN 0.244 nan 8.210 nan 0.000 0.543 372 P HA 0.087 nan 4.420 nan 0.000 0.271 372 P C -0.962 176.349 177.300 0.018 0.000 1.216 372 P CA -0.452 62.652 63.100 0.006 0.000 0.776 372 P CB 0.495 32.201 31.700 0.010 0.000 0.881 373 D N 1.492 121.905 120.400 0.022 0.000 2.380 373 D HA 0.070 4.710 4.640 0.001 0.000 0.254 373 D C 1.382 177.701 176.300 0.031 0.000 1.288 373 D CA -0.350 53.670 54.000 0.033 0.000 1.008 373 D CB -0.304 40.512 40.800 0.027 0.000 1.099 373 D HN 0.311 nan 8.370 nan 0.000 0.537 374 A N -0.465 122.374 122.820 0.032 0.000 1.908 374 A HA -0.177 4.144 4.320 0.001 0.000 0.218 374 A C 2.125 179.714 177.584 0.008 0.000 1.181 374 A CA 2.501 54.550 52.037 0.020 0.000 0.627 374 A CB -1.352 17.658 19.000 0.017 0.000 0.818 374 A HN 0.687 nan 8.150 nan 0.000 0.445 375 T N -0.400 114.159 114.554 0.008 0.000 2.821 375 T HA 0.017 4.368 4.350 0.001 0.000 0.267 375 T C 1.986 176.691 174.700 0.007 0.000 1.046 375 T CA 1.175 63.278 62.100 0.005 0.000 1.139 375 T CB -0.723 68.148 68.868 0.005 0.000 0.871 375 T HN 0.556 nan 8.240 nan 0.000 0.454 376 G N 2.021 110.828 108.800 0.011 0.000 2.491 376 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 376 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 376 G C 1.721 176.630 174.900 0.016 0.000 1.180 376 G CA 0.569 45.678 45.100 0.014 0.000 0.774 376 G HN 0.423 nan 8.290 nan 0.000 0.562 377 R N -0.378 120.128 120.500 0.011 0.000 2.091 377 R HA -0.071 4.269 4.340 0.001 0.000 0.238 377 R C 2.529 178.828 176.300 -0.001 0.000 1.136 377 R CA 1.348 57.450 56.100 0.004 0.000 0.959 377 R CB -0.639 29.657 30.300 -0.007 0.000 0.856 377 R HN 0.398 nan 8.270 nan 0.000 0.437 378 L N 1.574 122.793 121.223 -0.007 0.000 2.017 378 L HA -0.166 4.175 4.340 0.001 0.000 0.208 378 L C 1.918 178.790 176.870 0.004 0.000 1.073 378 L CA 1.838 56.670 54.840 -0.013 0.000 0.745 378 L CB -0.376 41.672 42.059 -0.018 0.000 0.894 378 L HN 0.130 nan 8.230 nan 0.000 0.432 379 E N -0.273 119.935 120.200 0.014 0.000 2.058 379 E HA -0.253 4.097 4.350 0.001 0.000 0.194 379 E C 2.233 178.863 176.600 0.050 0.000 0.997 379 E CA 1.975 58.391 56.400 0.026 0.000 0.801 379 E CB -0.292 29.424 29.700 0.027 0.000 0.746 379 E HN 0.603 nan 8.360 nan 0.000 0.450 380 I N 0.924 121.530 120.570 0.059 0.000 2.286 380 I HA -0.282 3.888 4.170 0.001 0.000 0.248 380 I C 2.274 178.480 176.117 0.149 0.000 1.115 380 I CA 0.923 62.287 61.300 0.107 0.000 1.392 380 I CB -0.146 37.895 38.000 0.069 0.000 1.065 380 I HN 0.099 nan 8.210 nan 0.000 0.418 381 L N -0.242 121.030 121.223 0.082 0.000 2.141 381 L HA -0.198 4.142 4.340 0.001 0.000 0.209 381 L C 2.560 179.482 176.870 0.086 0.000 1.094 381 L CA 1.235 56.125 54.840 0.085 0.000 0.763 381 L CB -0.523 41.540 42.059 0.007 0.000 0.908 381 L HN 0.288 nan 8.230 nan 0.000 0.437 382 Q N -0.069 119.763 119.800 0.053 0.000 2.119 382 Q HA -0.141 4.199 4.340 0.001 0.000 0.201 382 Q C 2.316 178.342 176.000 0.043 0.000 0.972 382 Q CA 1.296 57.121 55.803 0.036 0.000 0.847 382 Q CB -0.023 28.725 28.738 0.017 0.000 0.903 382 Q HN 0.518 nan 8.270 nan 0.000 0.433 383 I N -0.414 120.192 120.570 0.059 0.000 2.315 383 I HA -0.240 3.930 4.170 0.001 0.000 0.248 383 I C 1.745 177.831 176.117 -0.052 0.000 1.117 383 I CA 1.123 62.433 61.300 0.017 0.000 1.404 383 I CB -0.112 37.908 38.000 0.033 0.000 1.071 383 I HN 0.184 nan 8.210 nan 0.000 0.419 384 H N -0.122 118.968 119.070 0.034 0.000 2.462 384 H HA -0.061 4.496 4.556 0.001 0.000 0.292 384 H C 2.018 177.381 175.328 0.058 0.000 1.049 384 H CA 1.752 57.828 56.048 0.046 0.000 1.334 384 H CB -0.023 29.775 29.762 0.060 0.000 1.404 384 H HN 0.351 nan 8.280 nan 0.000 0.544 385 T N -1.854 112.777 114.554 0.127 0.000 3.105 385 T HA 0.031 4.381 4.350 0.001 0.000 0.253 385 T C 1.572 176.305 174.700 0.055 0.000 1.047 385 T CA -0.149 62.020 62.100 0.115 0.000 0.944 385 T CB 0.075 69.031 68.868 0.147 0.000 1.016 385 T HN 0.452 nan 8.240 nan 0.000 0.544 386 K N 1.695 122.106 120.400 0.018 0.000 2.209 386 K HA -0.032 4.288 4.320 0.001 0.000 0.204 386 K C 1.197 177.797 176.600 -0.000 0.000 1.048 386 K CA 1.257 57.545 56.287 0.002 0.000 0.940 386 K CB -0.204 32.286 32.500 -0.017 0.000 0.729 386 K HN 0.177 nan 8.250 nan 0.000 0.451 387 N N -0.036 118.663 118.700 -0.002 0.000 2.187 387 N HA 0.174 4.914 4.740 0.001 0.000 0.212 387 N C -0.441 175.077 175.510 0.013 0.000 1.152 387 N CA 0.149 53.197 53.050 -0.003 0.000 0.872 387 N CB 0.520 38.995 38.487 -0.020 0.000 1.025 387 N HN 0.227 nan 8.380 nan 0.000 0.514 388 M N 0.656 120.276 119.600 0.034 0.000 2.264 388 M HA 0.241 4.721 4.480 0.001 0.000 0.352 388 M C 0.182 176.513 176.300 0.051 0.000 1.173 388 M CA -0.330 55.001 55.300 0.051 0.000 1.075 388 M CB 1.785 34.439 32.600 0.090 0.000 1.621 388 M HN -0.346 nan 8.290 nan 0.000 0.457 389 K N 4.197 124.623 120.400 0.043 0.000 2.338 389 K HA 0.388 4.708 4.320 0.001 0.000 0.290 389 K C -1.098 175.542 176.600 0.066 0.000 1.069 389 K CA 0.092 56.404 56.287 0.042 0.000 0.941 389 K CB 0.213 32.729 32.500 0.026 0.000 1.023 389 K HN 0.568 nan 8.250 nan 0.000 0.477 390 L N 2.358 123.624 121.223 0.073 0.000 2.334 390 L HA 0.458 4.798 4.340 0.001 0.000 0.276 390 L C 0.340 177.252 176.870 0.069 0.000 1.014 390 L CA -0.924 53.977 54.840 0.101 0.000 0.815 390 L CB 1.786 43.907 42.059 0.104 0.000 1.268 390 L HN 0.599 nan 8.230 nan 0.000 0.428 391 A N 0.748 123.616 122.820 0.079 0.000 2.346 391 A HA 0.052 4.372 4.320 0.001 0.000 0.252 391 A C 0.963 178.569 177.584 0.036 0.000 1.089 391 A CA -0.195 51.874 52.037 0.053 0.000 0.797 391 A CB 0.260 19.295 19.000 0.059 0.000 1.047 391 A HN 0.881 nan 8.150 nan 0.000 0.494 392 D N 0.094 120.509 120.400 0.024 0.000 2.172 392 D HA -0.203 4.438 4.640 0.001 0.000 0.196 392 D C 1.112 177.417 176.300 0.009 0.000 0.999 392 D CA 1.977 55.985 54.000 0.014 0.000 0.856 392 D CB -0.033 40.774 40.800 0.011 0.000 0.934 392 D HN 0.690 nan 8.370 nan 0.000 0.453 393 D N -0.533 119.877 120.400 0.017 0.000 2.349 393 D HA -0.061 4.579 4.640 0.001 0.000 0.215 393 D C 0.470 176.771 176.300 0.001 0.000 1.016 393 D CA -0.139 53.869 54.000 0.012 0.000 0.870 393 D CB -0.358 40.455 40.800 0.022 0.000 0.917 393 D HN -0.013 nan 8.370 nan 0.000 0.524 394 V N 1.572 121.485 119.914 -0.002 0.000 2.446 394 V HA 0.088 4.209 4.120 0.001 0.000 0.276 394 V C -0.072 175.958 176.094 -0.108 0.000 1.030 394 V CA -0.094 62.171 62.300 -0.058 0.000 1.033 394 V CB 0.529 32.326 31.823 -0.044 0.000 0.993 394 V HN 0.068 nan 8.190 nan 0.000 0.477 395 D N 4.425 124.741 120.400 -0.140 0.000 2.460 395 D HA 0.408 5.049 4.640 0.001 0.000 0.232 395 D C 0.489 176.673 176.300 -0.193 0.000 1.079 395 D CA -0.484 53.439 54.000 -0.127 0.000 0.864 395 D CB 1.567 42.319 40.800 -0.079 0.000 1.048 395 D HN 0.276 nan 8.370 nan 0.000 0.523 396 L N 2.716 123.823 121.223 -0.194 0.000 2.240 396 L HA 0.131 4.471 4.340 0.001 0.000 0.211 396 L C 2.147 178.932 176.870 -0.141 0.000 1.106 396 L CA 0.782 55.489 54.840 -0.221 0.000 0.793 396 L CB -0.330 41.621 42.059 -0.180 0.000 0.927 396 L HN 0.447 nan 8.230 nan 0.000 0.446 397 E N -0.164 119.977 120.200 -0.098 0.000 2.110 397 E HA -0.299 4.051 4.350 0.001 0.000 0.193 397 E C 2.157 178.716 176.600 -0.068 0.000 0.988 397 E CA 1.180 57.539 56.400 -0.068 0.000 0.804 397 E CB 0.034 29.705 29.700 -0.048 0.000 0.745 397 E HN 0.420 nan 8.360 nan 0.000 0.458 398 Q N 0.500 120.252 119.800 -0.079 0.000 2.050 398 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 398 Q C 2.052 178.003 176.000 -0.083 0.000 0.980 398 Q CA 1.698 57.459 55.803 -0.070 0.000 0.840 398 Q CB -0.198 28.500 28.738 -0.066 0.000 0.898 398 Q HN 0.121 nan 8.270 nan 0.000 0.424 399 V N 0.954 120.790 119.914 -0.130 0.000 2.343 399 V HA -0.277 3.843 4.120 0.001 0.000 0.247 399 V C 2.357 178.384 176.094 -0.113 0.000 1.051 399 V CA 1.791 64.010 62.300 -0.135 0.000 1.036 399 V CB -1.462 30.216 31.823 -0.241 0.000 0.654 399 V HN 0.545 nan 8.190 nan 0.000 0.451 400 A N 0.437 123.198 122.820 -0.098 0.000 1.940 400 A HA -0.248 4.073 4.320 0.001 0.000 0.219 400 A C 2.062 179.617 177.584 -0.049 0.000 1.176 400 A CA 2.150 54.146 52.037 -0.068 0.000 0.631 400 A CB -0.600 18.371 19.000 -0.049 0.000 0.814 400 A HN 0.621 nan 8.150 nan 0.000 0.446 401 N N -0.396 118.278 118.700 -0.043 0.000 2.376 401 N HA -0.056 4.684 4.740 0.001 0.000 0.177 401 N C 1.198 176.699 175.510 -0.016 0.000 1.024 401 N CA 0.996 54.033 53.050 -0.021 0.000 0.893 401 N CB -0.172 38.303 38.487 -0.020 0.000 0.980 401 N HN 0.659 nan 8.380 nan 0.000 0.439 402 E N -0.001 120.174 120.200 -0.041 0.000 2.489 402 E HA 0.015 4.365 4.350 0.001 0.000 0.193 402 E C 0.067 176.628 176.600 -0.065 0.000 1.057 402 E CA 0.329 56.708 56.400 -0.035 0.000 0.866 402 E CB 0.228 29.907 29.700 -0.035 0.000 0.916 402 E HN 0.278 nan 8.360 nan 0.000 0.500 403 T N -1.791 112.690 114.554 -0.122 0.000 3.255 403 T HA 0.105 4.455 4.350 0.001 0.000 0.243 403 T C 0.737 175.460 174.700 0.040 0.000 1.057 403 T CA -0.532 61.388 62.100 -0.299 0.000 1.121 403 T CB 0.122 68.629 68.868 -0.603 0.000 1.104 403 T HN 0.106 nan 8.240 nan 0.000 0.571 404 H N 2.532 121.643 119.070 0.068 0.000 2.319 404 H HA -0.023 4.534 4.556 0.000 0.000 0.297 404 H C 2.120 177.528 175.328 0.135 0.000 1.097 404 H CA 2.225 58.323 56.048 0.083 0.000 1.285 404 H CB -0.632 29.160 29.762 0.050 0.000 1.368 404 H HN 0.532 nan 8.280 nan 0.000 0.495 405 G N -1.305 107.386 108.800 -0.181 0.000 2.920 405 G HA2 -0.048 3.912 3.960 0.001 0.000 0.208 405 G HA3 -0.048 3.912 3.960 0.001 0.000 0.208 405 G C -0.417 174.368 174.900 -0.193 0.000 1.159 405 G CA -0.157 44.729 45.100 -0.357 0.000 0.784 405 G HN 0.434 nan 8.290 nan 0.000 0.535 406 H N -0.265 118.711 119.070 -0.157 0.000 2.580 406 H HA 0.426 4.983 4.556 0.001 0.000 0.322 406 H C 0.538 175.817 175.328 -0.081 0.000 1.082 406 H CA -0.596 55.396 56.048 -0.094 0.000 1.383 406 H CB 1.642 31.368 29.762 -0.060 0.000 1.450 406 H HN 0.078 nan 8.280 nan 0.000 0.505 407 V N 0.805 120.718 119.914 -0.001 0.000 3.234 407 V HA 0.541 4.662 4.120 0.001 0.000 0.317 407 V C 1.509 177.603 176.094 -0.001 0.000 1.081 407 V CA -0.096 62.199 62.300 -0.010 0.000 1.037 407 V CB 1.210 33.012 31.823 -0.036 0.000 1.148 407 V HN 0.818 nan 8.190 nan 0.000 0.453 408 G N 0.263 109.057 108.800 -0.010 0.000 2.476 408 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 408 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 408 G C 1.515 176.362 174.900 -0.087 0.000 1.164 408 G CA 1.579 46.659 45.100 -0.034 0.000 0.768 408 G HN 1.509 nan 8.290 nan 0.000 0.560 409 A N 0.872 123.659 122.820 -0.054 0.000 1.948 409 A HA -0.122 4.198 4.320 0.001 0.000 0.220 409 A C 2.113 179.659 177.584 -0.063 0.000 1.177 409 A CA 2.217 54.219 52.037 -0.059 0.000 0.636 409 A CB -0.452 18.529 19.000 -0.033 0.000 0.815 409 A HN 0.336 nan 8.150 nan 0.000 0.449 410 D N -0.108 120.265 120.400 -0.044 0.000 2.117 410 D HA -0.090 4.550 4.640 0.001 0.000 0.198 410 D C 1.945 178.284 176.300 0.066 0.000 0.982 410 D CA 1.150 55.143 54.000 -0.013 0.000 0.828 410 D CB -0.264 40.490 40.800 -0.076 0.000 0.967 410 D HN 0.480 nan 8.370 nan 0.000 0.464 411 L N 0.720 121.966 121.223 0.039 0.000 2.156 411 L HA -0.063 4.277 4.340 0.001 0.000 0.208 411 L C 2.578 179.381 176.870 -0.112 0.000 1.095 411 L CA 0.785 55.627 54.840 0.003 0.000 0.770 411 L CB -0.335 41.707 42.059 -0.028 0.000 0.914 411 L HN -0.059 nan 8.230 nan 0.000 0.439 412 A N 0.321 122.972 122.820 -0.281 0.000 1.877 412 A HA -0.181 4.139 4.320 0.001 0.000 0.216 412 A C 2.553 180.082 177.584 -0.092 0.000 1.186 412 A CA 1.796 53.607 52.037 -0.377 0.000 0.620 412 A CB -0.762 17.994 19.000 -0.407 0.000 0.822 412 A HN 0.373 nan 8.150 nan 0.000 0.443 413 A N -0.646 122.142 122.820 -0.052 0.000 1.933 413 A HA -0.035 4.285 4.320 0.001 0.000 0.218 413 A C 2.159 179.744 177.584 0.001 0.000 1.175 413 A CA 1.659 53.689 52.037 -0.012 0.000 0.628 413 A CB -0.618 18.374 19.000 -0.013 0.000 0.814 413 A HN 0.661 nan 8.150 nan 0.000 0.444 414 L N -0.304 120.931 121.223 0.019 0.000 2.012 414 L HA -0.208 4.132 4.340 0.001 0.000 0.210 414 L C 2.464 179.328 176.870 -0.009 0.000 1.073 414 L CA 2.398 57.259 54.840 0.034 0.000 0.748 414 L CB -0.550 41.562 42.059 0.090 0.000 0.891 414 L HN 0.469 nan 8.230 nan 0.000 0.431 415 C N -1.740 117.579 119.300 0.031 0.000 2.435 415 C HA -0.088 4.372 4.460 0.001 0.000 0.279 415 C C 3.135 178.094 174.990 -0.053 0.000 1.321 415 C CA 1.010 60.032 59.018 0.006 0.000 1.752 415 C CB -1.012 26.826 27.740 0.164 0.000 1.959 415 C HN 0.683 nan 8.230 nan 0.000 0.500 416 S N 0.131 115.828 115.700 -0.004 0.000 2.383 416 S HA -0.131 4.340 4.470 0.001 0.000 0.227 416 S C 1.983 176.579 174.600 -0.008 0.000 1.026 416 S CA 1.281 59.483 58.200 0.003 0.000 0.981 416 S CB -0.242 62.971 63.200 0.022 0.000 0.818 416 S HN 0.564 nan 8.310 nan 0.000 0.472 417 E N 0.954 121.155 120.200 0.001 0.000 2.107 417 E HA 0.032 4.382 4.350 0.001 0.000 0.191 417 E C 2.301 178.939 176.600 0.063 0.000 0.982 417 E CA 0.951 57.395 56.400 0.072 0.000 0.809 417 E CB -0.486 29.273 29.700 0.098 0.000 0.756 417 E HN 0.540 nan 8.360 nan 0.000 0.459 418 A N 1.425 124.174 122.820 -0.119 0.000 1.933 418 A HA -0.111 4.210 4.320 0.001 0.000 0.218 418 A C 2.392 179.837 177.584 -0.232 0.000 1.175 418 A CA 1.938 53.793 52.037 -0.303 0.000 0.628 418 A CB -0.478 17.919 19.000 -1.006 0.000 0.814 418 A HN 0.259 nan 8.150 nan 0.000 0.444 419 A N -0.703 122.010 122.820 -0.178 0.000 1.933 419 A HA -0.012 4.309 4.320 0.001 0.000 0.218 419 A C 2.164 179.707 177.584 -0.068 0.000 1.175 419 A CA 1.465 53.443 52.037 -0.098 0.000 0.628 419 A CB -0.498 18.468 19.000 -0.055 0.000 0.814 419 A HN 0.494 nan 8.150 nan 0.000 0.444 420 L N -1.214 119.982 121.223 -0.047 0.000 2.156 420 L HA -0.154 4.187 4.340 0.001 0.000 0.208 420 L C 2.694 179.500 176.870 -0.106 0.000 1.095 420 L CA 1.531 56.345 54.840 -0.045 0.000 0.770 420 L CB -0.125 41.937 42.059 0.003 0.000 0.914 420 L HN 0.482 nan 8.230 nan 0.000 0.439 421 Q N -0.326 119.397 119.800 -0.128 0.000 2.119 421 Q HA -0.148 4.193 4.340 0.001 0.000 0.201 421 Q C 2.119 178.005 176.000 -0.190 0.000 0.972 421 Q CA 1.829 57.475 55.803 -0.262 0.000 0.847 421 Q CB -0.179 28.417 28.738 -0.236 0.000 0.903 421 Q HN 0.501 nan 8.270 nan 0.000 0.433 422 A N -0.051 122.697 122.820 -0.120 0.000 1.933 422 A HA -0.127 4.193 4.320 0.001 0.000 0.218 422 A C 2.061 179.597 177.584 -0.081 0.000 1.175 422 A CA 1.363 53.349 52.037 -0.085 0.000 0.628 422 A CB -0.635 18.331 19.000 -0.057 0.000 0.814 422 A HN 0.468 nan 8.150 nan 0.000 0.444 423 I N -1.223 119.297 120.570 -0.082 0.000 2.252 423 I HA -0.214 3.957 4.170 0.001 0.000 0.245 423 I C 2.723 178.786 176.117 -0.090 0.000 1.102 423 I CA 1.112 62.369 61.300 -0.072 0.000 1.385 423 I CB -0.259 37.706 38.000 -0.059 0.000 1.064 423 I HN 0.254 nan 8.210 nan 0.000 0.414 424 R N 0.848 121.270 120.500 -0.130 0.000 2.105 424 R HA -0.175 4.166 4.340 0.001 0.000 0.239 424 R C 2.215 178.432 176.300 -0.138 0.000 1.135 424 R CA 1.395 57.401 56.100 -0.157 0.000 0.967 424 R CB -0.125 30.023 30.300 -0.253 0.000 0.861 424 R HN 0.306 nan 8.270 nan 0.000 0.442 425 K N -0.165 120.155 120.400 -0.134 0.000 2.211 425 K HA -0.134 4.186 4.320 0.001 0.000 0.203 425 K C 1.605 178.163 176.600 -0.070 0.000 1.050 425 K CA 0.996 57.222 56.287 -0.101 0.000 0.945 425 K CB 0.089 32.536 32.500 -0.089 0.000 0.732 425 K HN -0.145 nan 8.250 nan 0.000 0.451 426 K N 0.048 120.409 120.400 -0.065 0.000 2.387 426 K HA 0.172 4.492 4.320 0.001 0.000 0.198 426 K C 1.203 177.776 176.600 -0.046 0.000 1.022 426 K CA 0.082 56.340 56.287 -0.048 0.000 1.128 426 K CB 0.331 32.807 32.500 -0.041 0.000 0.853 426 K HN -0.060 nan 8.250 nan 0.000 0.523 427 M N 0.949 120.516 119.600 -0.055 0.000 2.539 427 M HA -0.122 4.358 4.480 0.001 0.000 0.261 427 M C 0.463 176.739 176.300 -0.040 0.000 1.069 427 M CA 1.329 56.600 55.300 -0.049 0.000 1.081 427 M CB -0.423 32.142 32.600 -0.059 0.000 1.412 427 M HN 0.146 nan 8.290 nan 0.000 0.482 428 D N -0.061 120.316 120.400 -0.038 0.000 2.149 428 D HA -0.049 4.592 4.640 0.001 0.000 0.201 428 D C 1.738 178.023 176.300 -0.025 0.000 0.972 428 D CA 1.111 55.093 54.000 -0.030 0.000 0.835 428 D CB 0.127 40.909 40.800 -0.029 0.000 0.966 428 D HN 0.325 nan 8.370 nan 0.000 0.476 429 L N 0.272 121.480 121.223 -0.025 0.000 2.592 429 L HA 0.199 4.539 4.340 0.001 0.000 0.227 429 L C 0.671 177.528 176.870 -0.021 0.000 1.127 429 L CA 0.293 55.120 54.840 -0.021 0.000 0.884 429 L CB 0.195 42.242 42.059 -0.020 0.000 1.065 429 L HN -0.138 nan 8.230 nan 0.000 0.457 430 I N -1.203 119.352 120.570 -0.025 0.000 2.530 430 I HA 0.393 4.563 4.170 0.001 0.000 0.297 430 I C -0.918 175.185 176.117 -0.023 0.000 1.011 430 I CA -0.556 60.730 61.300 -0.024 0.000 1.107 430 I CB 2.050 40.033 38.000 -0.028 0.000 1.285 430 I HN -0.164 nan 8.210 nan 0.000 0.436 431 D N 2.812 123.200 120.400 -0.020 0.000 2.857 431 D HA 0.315 4.955 4.640 0.001 0.000 0.227 431 D C 0.159 176.448 176.300 -0.017 0.000 1.192 431 D CA -0.534 53.455 54.000 -0.019 0.000 0.857 431 D CB 2.486 43.276 40.800 -0.017 0.000 1.645 431 D HN 0.284 nan 8.370 nan 0.000 0.482 432 L N 2.151 123.364 121.223 -0.017 0.000 2.275 432 L HA 0.008 4.348 4.340 0.001 0.000 0.215 432 L C 1.619 178.481 176.870 -0.013 0.000 1.119 432 L CA 1.581 56.412 54.840 -0.015 0.000 0.790 432 L CB -0.038 42.012 42.059 -0.015 0.000 0.919 432 L HN 0.460 nan 8.230 nan 0.000 0.443 433 E N -0.440 119.752 120.200 -0.013 0.000 2.371 433 E HA -0.013 4.338 4.350 0.001 0.000 0.194 433 E C 0.085 176.678 176.600 -0.011 0.000 1.012 433 E CA 0.114 56.507 56.400 -0.011 0.000 0.860 433 E CB -0.362 29.331 29.700 -0.011 0.000 0.811 433 E HN 0.528 nan 8.360 nan 0.000 0.502 434 D N 1.318 121.711 120.400 -0.012 0.000 2.382 434 D HA -0.020 4.620 4.640 0.001 0.000 0.240 434 D C 1.080 177.373 176.300 -0.012 0.000 1.146 434 D CA 0.045 54.038 54.000 -0.012 0.000 0.897 434 D CB 1.299 42.092 40.800 -0.013 0.000 1.197 434 D HN 0.001 nan 8.370 nan 0.000 0.432 435 E N -0.160 120.033 120.200 -0.011 0.000 2.046 435 E HA -0.084 4.267 4.350 0.001 0.000 0.190 435 E C 0.112 176.705 176.600 -0.012 0.000 0.982 435 E CA 0.901 57.295 56.400 -0.011 0.000 0.800 435 E CB 0.392 30.086 29.700 -0.010 0.000 0.756 435 E HN 0.635 nan 8.360 nan 0.000 0.449 436 T N -1.911 112.635 114.554 -0.013 0.000 2.864 436 T HA 0.518 4.869 4.350 0.001 0.000 0.299 436 T C -0.194 174.497 174.700 -0.014 0.000 1.166 436 T CA -0.816 61.276 62.100 -0.013 0.000 1.007 436 T CB 1.495 70.355 68.868 -0.014 0.000 1.219 436 T HN -0.019 nan 8.240 nan 0.000 0.506 437 I N 1.593 122.154 120.570 -0.015 0.000 2.395 437 I HA 0.222 4.392 4.170 0.001 0.000 0.289 437 I C 0.490 176.598 176.117 -0.014 0.000 1.023 437 I CA -0.342 60.949 61.300 -0.015 0.000 1.350 437 I CB 0.847 38.837 38.000 -0.017 0.000 1.409 437 I HN 0.797 nan 8.210 nan 0.000 0.507 438 D N 4.605 124.997 120.400 -0.014 0.000 2.583 438 D HA -0.029 4.611 4.640 0.001 0.000 0.232 438 D C 1.073 177.366 176.300 -0.012 0.000 1.128 438 D CA 0.684 54.676 54.000 -0.013 0.000 0.859 438 D CB 1.076 41.868 40.800 -0.013 0.000 1.169 438 D HN 0.626 nan 8.370 nan 0.000 0.481 439 A N 3.753 126.567 122.820 -0.011 0.000 1.883 439 A HA -0.242 4.079 4.320 0.001 0.000 0.217 439 A C 1.944 179.522 177.584 -0.010 0.000 1.186 439 A CA 1.982 54.012 52.037 -0.011 0.000 0.624 439 A CB -0.811 18.183 19.000 -0.010 0.000 0.822 439 A HN 0.792 nan 8.150 nan 0.000 0.444 440 E N 0.333 120.527 120.200 -0.010 0.000 2.085 440 E HA -0.147 4.203 4.350 0.001 0.000 0.194 440 E C 1.654 178.248 176.600 -0.010 0.000 0.994 440 E CA 2.033 58.428 56.400 -0.009 0.000 0.801 440 E CB -0.782 28.913 29.700 -0.008 0.000 0.743 440 E HN 0.245 nan 8.360 nan 0.000 0.453 441 V N 0.442 120.349 119.914 -0.012 0.000 2.407 441 V HA -0.252 3.869 4.120 0.001 0.000 0.248 441 V C 2.530 178.616 176.094 -0.014 0.000 1.055 441 V CA 2.032 64.324 62.300 -0.014 0.000 1.049 441 V CB -0.572 31.241 31.823 -0.016 0.000 0.662 441 V HN 0.312 nan 8.190 nan 0.000 0.455 442 M N 0.690 120.283 119.600 -0.013 0.000 2.159 442 M HA -0.148 4.332 4.480 0.001 0.000 0.263 442 M C 1.772 178.066 176.300 -0.009 0.000 1.063 442 M CA 2.036 57.329 55.300 -0.012 0.000 1.110 442 M CB -0.705 31.887 32.600 -0.012 0.000 1.374 442 M HN 0.492 nan 8.290 nan 0.000 0.411 443 N N -1.206 117.489 118.700 -0.008 0.000 2.207 443 N HA -0.090 4.650 4.740 0.001 0.000 0.182 443 N C 1.475 176.983 175.510 -0.003 0.000 1.020 443 N CA 1.285 54.331 53.050 -0.005 0.000 0.858 443 N CB -0.266 38.218 38.487 -0.005 0.000 0.991 443 N HN 0.397 nan 8.380 nan 0.000 0.427 444 S N 0.859 116.556 115.700 -0.005 0.000 2.507 444 S HA -0.021 4.449 4.470 0.001 0.000 0.235 444 S C 0.722 175.320 174.600 -0.003 0.000 0.988 444 S CA 0.192 58.390 58.200 -0.003 0.000 0.944 444 S CB -0.611 62.586 63.200 -0.006 0.000 0.762 444 S HN 0.204 nan 8.310 nan 0.000 0.526 445 L N 2.499 123.719 121.223 -0.005 0.000 2.638 445 L HA 0.346 4.687 4.340 0.001 0.000 0.273 445 L C 0.374 177.246 176.870 0.004 0.000 1.147 445 L CA -0.184 54.653 54.840 -0.006 0.000 0.941 445 L CB -0.181 41.872 42.059 -0.010 0.000 1.251 445 L HN 0.400 nan 8.230 nan 0.000 0.479 446 A N 4.002 126.827 122.820 0.008 0.000 2.393 446 A HA 0.664 4.984 4.320 0.001 0.000 0.306 446 A C -0.725 176.878 177.584 0.032 0.000 1.050 446 A CA -0.530 51.522 52.037 0.025 0.000 0.724 446 A CB 1.714 20.730 19.000 0.028 0.000 1.248 446 A HN 0.272 nan 8.150 nan 0.000 0.424 447 V N 3.122 123.070 119.914 0.058 0.000 2.389 447 V HA 0.386 4.507 4.120 0.001 0.000 0.264 447 V C 1.089 177.274 176.094 0.152 0.000 1.049 447 V CA 0.245 62.587 62.300 0.070 0.000 0.932 447 V CB 0.522 32.380 31.823 0.057 0.000 1.011 447 V HN 1.066 nan 8.190 nan 0.000 0.475 448 T N 2.353 116.980 114.554 0.122 0.000 2.816 448 T HA 0.297 4.648 4.350 0.001 0.000 0.282 448 T C 1.026 175.888 174.700 0.269 0.000 0.993 448 T CA -0.417 61.772 62.100 0.148 0.000 0.994 448 T CB 0.986 69.905 68.868 0.086 0.000 1.025 448 T HN 0.422 nan 8.240 nan 0.000 0.529 449 M N 0.687 120.415 119.600 0.214 0.000 2.159 449 M HA -0.012 4.469 4.480 0.001 0.000 0.263 449 M C 1.709 178.151 176.300 0.237 0.000 1.063 449 M CA 1.887 57.324 55.300 0.230 0.000 1.110 449 M CB -1.190 31.465 32.600 0.091 0.000 1.374 449 M HN 0.893 nan 8.290 nan 0.000 0.411 450 D N -0.203 120.293 120.400 0.160 0.000 2.218 450 D HA -0.193 4.448 4.640 0.001 0.000 0.204 450 D C 1.342 177.744 176.300 0.170 0.000 0.976 450 D CA 1.520 55.604 54.000 0.140 0.000 0.853 450 D CB -0.086 40.768 40.800 0.090 0.000 0.939 450 D HN 0.456 nan 8.370 nan 0.000 0.481 451 D N -0.657 119.833 120.400 0.150 0.000 2.097 451 D HA -0.151 4.489 4.640 0.001 0.000 0.197 451 D C 1.910 178.277 176.300 0.110 0.000 0.984 451 D CA 0.729 54.785 54.000 0.093 0.000 0.826 451 D CB -0.458 40.324 40.800 -0.030 0.000 0.973 451 D HN 0.332 nan 8.370 nan 0.000 0.460 452 F N 1.333 121.348 119.950 0.109 0.000 2.134 452 F HA -0.070 4.457 4.527 0.000 0.000 0.299 452 F C 2.645 178.488 175.800 0.071 0.000 1.097 452 F CA 0.963 59.011 58.000 0.080 0.000 1.264 452 F CB -0.137 38.886 39.000 0.039 0.000 1.001 452 F HN -0.193 nan 8.300 nan 0.000 0.479 453 R N -1.355 119.307 120.500 0.271 0.000 2.120 453 R HA -0.232 4.108 4.340 0.001 0.000 0.234 453 R C 2.041 178.426 176.300 0.142 0.000 1.123 453 R CA 1.631 57.831 56.100 0.167 0.000 0.975 453 R CB -0.669 29.712 30.300 0.136 0.000 0.866 453 R HN 0.424 nan 8.270 nan 0.000 0.446 454 W N 0.865 122.186 121.300 0.034 0.000 2.409 454 W HA -0.088 4.572 4.660 0.001 0.000 0.299 454 W C 2.188 178.707 176.519 -0.000 0.000 1.203 454 W CA 1.564 58.914 57.345 0.008 0.000 1.298 454 W CB -0.310 29.144 29.460 -0.010 0.000 1.127 454 W HN 0.065 nan 8.180 nan 0.000 0.528 455 A N 0.441 123.301 122.820 0.067 0.000 1.892 455 A HA -0.238 4.082 4.320 0.001 0.000 0.218 455 A C 2.047 179.531 177.584 -0.167 0.000 1.188 455 A CA 2.081 54.054 52.037 -0.106 0.000 0.631 455 A CB -1.189 17.796 19.000 -0.025 0.000 0.822 455 A HN 0.385 nan 8.150 nan 0.000 0.447 456 L N 0.420 121.609 121.223 -0.056 0.000 2.042 456 L HA -0.227 4.113 4.340 0.001 0.000 0.210 456 L C 3.077 179.887 176.870 -0.100 0.000 1.076 456 L CA 1.797 56.612 54.840 -0.042 0.000 0.749 456 L CB -0.472 41.590 42.059 0.004 0.000 0.893 456 L HN 0.634 nan 8.230 nan 0.000 0.432 457 S N -1.129 114.466 115.700 -0.174 0.000 2.399 457 S HA -0.207 4.264 4.470 0.001 0.000 0.231 457 S C 1.824 176.266 174.600 -0.263 0.000 1.022 457 S CA 0.877 58.958 58.200 -0.198 0.000 0.983 457 S CB -0.270 62.798 63.200 -0.220 0.000 0.803 457 S HN 0.435 nan 8.310 nan 0.000 0.480 458 Q N 1.029 120.575 119.800 -0.424 0.000 2.424 458 Q HA 0.344 4.685 4.340 0.001 0.000 0.204 458 Q C 0.897 176.770 176.000 -0.212 0.000 0.933 458 Q CA 0.057 55.623 55.803 -0.395 0.000 0.929 458 Q CB -0.175 28.157 28.738 -0.678 0.000 1.037 458 Q HN 0.551 nan 8.270 nan 0.000 0.511 459 S N 1.072 116.693 115.700 -0.130 0.000 2.580 459 S HA 0.122 4.593 4.470 0.001 0.000 0.266 459 S C 0.007 174.588 174.600 -0.032 0.000 1.354 459 S CA -0.056 58.135 58.200 -0.014 0.000 1.008 459 S CB 0.369 63.674 63.200 0.176 0.000 0.898 459 S HN 0.253 nan 8.310 nan 0.000 0.555 460 N N 1.533 120.186 118.700 -0.077 0.000 2.264 460 N HA 0.431 5.171 4.740 0.001 0.000 0.288 460 N C -2.815 172.519 175.510 -0.293 0.000 1.094 460 N CA -1.208 51.758 53.050 -0.140 0.000 0.817 460 N CB 2.200 40.625 38.487 -0.104 0.000 1.604 460 N HN 0.425 nan 8.380 nan 0.000 0.473 461 P HA 0.183 nan 4.420 nan 0.000 0.282 461 P C 0.289 177.487 177.300 -0.169 0.000 1.287 461 P CA -0.154 62.774 63.100 -0.287 0.000 0.792 461 P CB 0.910 32.480 31.700 -0.217 0.000 1.163 462 S N -1.731 113.886 115.700 -0.138 0.000 2.545 462 S HA 0.294 4.765 4.470 0.001 0.000 0.232 462 S C 1.184 175.744 174.600 -0.067 0.000 1.070 462 S CA 0.236 58.384 58.200 -0.086 0.000 0.923 462 S CB -0.883 62.275 63.200 -0.069 0.000 0.806 462 S HN 0.673 nan 8.310 nan 0.000 0.506 463 A N 0.000 122.776 122.820 -0.074 0.000 2.254 463 A HA 0.000 4.320 4.320 0.001 0.000 0.244 463 A CA 0.000 52.007 52.037 -0.049 0.000 0.836 463 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 463 A HN 0.000 nan 8.150 nan 0.000 0.486