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 3hu1_1_C DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNRVVRNN LRVGLGDVIS 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 S 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 0.000 176.870 176.870 -0.000 0.000 1.165 12 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 12 L CB 0.000 42.059 42.059 0.001 0.000 0.961 13 S N -1.124 114.577 115.700 0.002 0.000 2.446 13 S HA -0.039 4.431 4.470 0.000 0.000 0.225 13 S C 1.706 176.306 174.600 0.000 0.000 1.016 13 S CA 1.264 59.466 58.200 0.004 0.000 0.943 13 S CB -0.754 62.451 63.200 0.007 0.000 0.786 13 S HN 0.513 nan 8.310 nan 0.000 0.508 14 T N 1.483 116.036 114.554 -0.003 0.000 3.155 14 T HA 0.270 4.620 4.350 0.000 0.000 0.264 14 T C 1.637 176.331 174.700 -0.009 0.000 1.160 14 T CA 0.752 62.847 62.100 -0.007 0.000 1.075 14 T CB -0.858 68.005 68.868 -0.008 0.000 0.921 14 T HN 0.577 nan 8.240 nan 0.000 0.533 15 A N 1.066 123.882 122.820 -0.007 0.000 1.978 15 A HA -0.046 4.274 4.320 0.000 0.000 0.220 15 A C 2.140 179.719 177.584 -0.008 0.000 1.170 15 A CA 1.484 53.516 52.037 -0.007 0.000 0.636 15 A CB -0.677 18.318 19.000 -0.008 0.000 0.810 15 A HN 0.724 nan 8.150 nan 0.000 0.448 16 I N -0.955 119.610 120.570 -0.007 0.000 2.493 16 I HA -0.182 3.989 4.170 0.000 0.000 0.254 16 I C 1.886 177.996 176.117 -0.012 0.000 1.160 16 I CA 1.141 62.438 61.300 -0.005 0.000 1.445 16 I CB -0.024 37.978 38.000 0.003 0.000 1.086 16 I HN 0.322 nan 8.210 nan 0.000 0.433 17 L N 0.544 121.754 121.223 -0.021 0.000 2.240 17 L HA -0.049 4.292 4.340 0.000 0.000 0.211 17 L C 1.303 178.164 176.870 -0.014 0.000 1.106 17 L CA 0.356 55.179 54.840 -0.029 0.000 0.793 17 L CB -0.506 41.530 42.059 -0.039 0.000 0.927 17 L HN 0.097 nan 8.230 nan 0.000 0.446 18 K N 0.452 120.847 120.400 -0.009 0.000 2.489 18 K HA -0.108 4.212 4.320 0.000 0.000 0.278 18 K C 0.989 177.590 176.600 0.001 0.000 1.000 18 K CA -0.039 56.245 56.287 -0.004 0.000 1.012 18 K CB 0.890 33.387 32.500 -0.004 0.000 0.903 18 K HN 0.068 nan 8.250 nan 0.000 0.485 19 Q N 2.786 122.588 119.800 0.004 0.000 2.123 19 Q HA -0.036 4.304 4.340 0.000 0.000 0.199 19 Q C -0.606 175.399 176.000 0.008 0.000 0.966 19 Q CA 0.832 56.640 55.803 0.008 0.000 0.845 19 Q CB -0.111 28.633 28.738 0.009 0.000 0.907 19 Q HN 0.535 nan 8.270 nan 0.000 0.439 20 K N 0.884 121.286 120.400 0.004 0.000 7.179 20 K HA -0.104 4.216 4.320 0.000 0.000 0.702 20 K C -1.373 175.229 176.600 0.003 0.000 2.556 20 K CA 0.393 56.681 56.287 0.002 0.000 1.884 20 K CB -0.580 31.920 32.500 0.000 0.000 2.172 20 K HN 0.250 nan 8.250 nan 0.000 0.261 21 N N 3.963 122.664 118.700 0.001 0.000 2.497 21 N HA 0.247 4.987 4.740 0.000 0.000 0.271 21 N C -0.334 175.176 175.510 0.001 0.000 1.142 21 N CA -0.135 52.915 53.050 0.001 0.000 0.965 21 N CB 0.647 39.134 38.487 0.000 0.000 1.077 21 N HN 0.286 nan 8.380 nan 0.000 0.462 22 R N 1.924 122.425 120.500 0.001 0.000 2.795 22 R HA 0.367 4.708 4.340 0.000 0.000 0.275 22 R C -1.636 174.663 176.300 -0.001 0.000 0.981 22 R CA -1.480 54.621 56.100 0.000 0.000 0.917 22 R CB 0.996 31.297 30.300 0.002 0.000 1.202 22 R HN 0.255 nan 8.270 nan 0.000 0.469 23 P HA -0.210 nan 4.420 nan 0.000 0.216 23 P C 0.576 177.873 177.300 -0.005 0.000 1.154 23 P CA 1.596 64.693 63.100 -0.004 0.000 0.865 23 P CB 0.131 31.826 31.700 -0.007 0.000 0.789 24 N N -1.276 117.420 118.700 -0.006 0.000 2.270 24 N HA -0.020 4.721 4.740 0.000 0.000 0.198 24 N C 0.438 175.946 175.510 -0.003 0.000 1.117 24 N CA -0.080 52.966 53.050 -0.007 0.000 0.845 24 N CB 0.063 38.544 38.487 -0.011 0.000 0.980 24 N HN 0.084 nan 8.380 nan 0.000 0.486 25 R N 1.005 121.505 120.500 -0.000 0.000 2.215 25 R HA 0.440 4.780 4.340 0.000 0.000 0.337 25 R C -0.885 175.417 176.300 0.002 0.000 1.010 25 R CA -0.291 55.810 56.100 0.003 0.000 0.871 25 R CB 0.603 30.906 30.300 0.006 0.000 1.134 25 R HN 0.136 nan 8.270 nan 0.000 0.477 26 L N 4.588 125.812 121.223 0.002 0.000 2.354 26 L HA 0.553 4.894 4.340 0.000 0.000 0.269 26 L C -0.212 176.660 176.870 0.004 0.000 1.005 26 L CA -1.025 53.816 54.840 0.002 0.000 0.819 26 L CB 2.222 44.281 42.059 0.000 0.000 1.311 26 L HN 0.437 nan 8.230 nan 0.000 0.423 27 I N 2.161 122.734 120.570 0.004 0.000 2.441 27 I HA 0.158 4.328 4.170 0.000 0.000 0.287 27 I C 0.176 176.296 176.117 0.005 0.000 1.049 27 I CA -0.746 60.557 61.300 0.005 0.000 1.381 27 I CB 1.403 39.406 38.000 0.004 0.000 1.409 27 I HN 0.297 nan 8.210 nan 0.000 0.523 28 V N 2.276 122.193 119.914 0.005 0.000 2.508 28 V HA 0.367 4.488 4.120 0.000 0.000 0.281 28 V C -0.362 175.735 176.094 0.006 0.000 1.041 28 V CA -0.168 62.135 62.300 0.006 0.000 1.016 28 V CB 1.026 32.853 31.823 0.007 0.000 0.984 28 V HN 0.638 nan 8.190 nan 0.000 0.478 29 D N 2.497 122.900 120.400 0.006 0.000 2.350 29 D HA 0.384 5.024 4.640 0.000 0.000 0.238 29 D C -0.383 175.921 176.300 0.008 0.000 0.989 29 D CA -0.600 53.404 54.000 0.006 0.000 0.921 29 D CB 2.277 43.081 40.800 0.006 0.000 1.297 29 D HN 0.887 nan 8.370 nan 0.000 0.490 30 E N 0.297 120.502 120.200 0.008 0.000 2.413 30 E HA 0.407 4.757 4.350 0.000 0.000 0.263 30 E C -1.019 175.587 176.600 0.010 0.000 1.015 30 E CA -0.309 56.096 56.400 0.009 0.000 0.916 30 E CB 0.726 30.431 29.700 0.008 0.000 0.947 30 E HN 0.355 nan 8.360 nan 0.000 0.440 31 A N 4.387 127.214 122.820 0.012 0.000 2.354 31 A HA 0.362 4.682 4.320 0.000 0.000 0.269 31 A C 1.071 178.663 177.584 0.012 0.000 1.109 31 A CA -0.027 52.018 52.037 0.013 0.000 0.800 31 A CB -0.037 18.973 19.000 0.016 0.000 1.045 31 A HN 0.801 nan 8.150 nan 0.000 0.489 32 I N 0.014 120.591 120.570 0.011 0.000 2.585 32 I HA 0.118 4.288 4.170 0.000 0.000 0.254 32 I C 0.719 176.843 176.117 0.011 0.000 1.129 32 I CA 0.318 61.625 61.300 0.010 0.000 1.455 32 I CB -0.105 37.900 38.000 0.008 0.000 1.111 32 I HN 0.477 nan 8.210 nan 0.000 0.433 33 N N 2.677 121.384 118.700 0.012 0.000 2.415 33 N HA 0.062 4.802 4.740 0.000 0.000 0.246 33 N C -0.248 175.273 175.510 0.018 0.000 1.078 33 N CA 0.240 53.298 53.050 0.012 0.000 0.942 33 N CB 0.758 39.251 38.487 0.010 0.000 1.140 33 N HN 0.316 nan 8.380 nan 0.000 0.501 34 E N 1.324 121.537 120.200 0.022 0.000 2.335 34 E HA 0.023 4.373 4.350 0.000 0.000 0.191 34 E C -0.880 175.746 176.600 0.043 0.000 1.077 34 E CA -0.165 56.254 56.400 0.031 0.000 1.010 34 E CB 0.074 29.793 29.700 0.031 0.000 1.141 34 E HN 0.515 nan 8.360 nan 0.000 0.452 35 D N -0.469 119.951 120.400 0.034 0.000 2.256 35 D HA 0.062 4.702 4.640 0.000 0.000 0.250 35 D C 0.839 177.170 176.300 0.051 0.000 1.093 35 D CA -0.212 53.811 54.000 0.038 0.000 0.882 35 D CB 0.846 41.647 40.800 0.001 0.000 1.185 35 D HN -0.102 nan 8.370 nan 0.000 0.437 36 N N 1.188 119.945 118.700 0.095 0.000 2.272 36 N HA -0.120 4.621 4.740 0.000 0.000 0.185 36 N C 0.945 176.491 175.510 0.060 0.000 1.014 36 N CA 0.669 53.787 53.050 0.113 0.000 0.870 36 N CB 0.039 38.659 38.487 0.220 0.000 0.975 36 N HN 0.208 nan 8.380 nan 0.000 0.433 37 S N -0.452 115.256 115.700 0.014 0.000 2.575 37 S HA 0.150 4.620 4.470 0.000 0.000 0.215 37 S C 0.451 175.048 174.600 -0.005 0.000 0.966 37 S CA -0.313 57.882 58.200 -0.008 0.000 0.911 37 S CB 0.648 63.819 63.200 -0.048 0.000 0.780 37 S HN 0.067 nan 8.310 nan 0.000 0.514 38 V N 2.719 122.635 119.914 0.003 0.000 2.513 38 V HA 0.702 4.823 4.120 0.000 0.000 0.299 38 V C -0.860 175.238 176.094 0.006 0.000 1.035 38 V CA -0.649 61.652 62.300 0.002 0.000 0.889 38 V CB 1.748 33.572 31.823 0.001 0.000 0.988 38 V HN 0.147 nan 8.190 nan 0.000 0.440 39 V N 3.482 123.397 119.914 0.002 0.000 2.735 39 V HA 0.812 4.932 4.120 0.000 0.000 0.310 39 V C -0.269 175.827 176.094 0.003 0.000 1.061 39 V CA -0.433 61.868 62.300 0.002 0.000 0.913 39 V CB 1.864 33.686 31.823 -0.002 0.000 1.005 39 V HN 0.793 nan 8.190 nan 0.000 0.428 40 S N 4.765 120.468 115.700 0.005 0.000 2.472 40 S HA 0.868 5.338 4.470 0.000 0.000 0.303 40 S C -0.543 174.060 174.600 0.005 0.000 1.099 40 S CA -0.611 57.593 58.200 0.006 0.000 1.077 40 S CB 1.249 64.454 63.200 0.007 0.000 1.031 40 S HN 0.722 nan 8.310 nan 0.000 0.487 41 L N 1.744 122.971 121.223 0.007 0.000 2.371 41 L HA 0.568 4.908 4.340 0.000 0.000 0.262 41 L C 0.337 177.213 176.870 0.009 0.000 1.006 41 L CA -0.951 53.892 54.840 0.006 0.000 0.818 41 L CB 2.211 44.273 42.059 0.005 0.000 1.354 41 L HN 0.746 nan 8.230 nan 0.000 0.415 42 S N 0.136 115.841 115.700 0.008 0.000 2.572 42 S HA 0.014 4.484 4.470 0.000 0.000 0.279 42 S C 0.639 175.246 174.600 0.013 0.000 1.341 42 S CA -0.216 57.990 58.200 0.009 0.000 1.043 42 S CB 1.543 64.748 63.200 0.008 0.000 0.887 42 S HN 0.696 nan 8.310 nan 0.000 0.516 43 Q N 2.764 122.573 119.800 0.015 0.000 2.096 43 Q HA 0.020 4.360 4.340 0.000 0.000 0.204 43 Q C -0.982 175.030 176.000 0.021 0.000 0.982 43 Q CA 2.111 57.925 55.803 0.020 0.000 0.850 43 Q CB -1.619 27.130 28.738 0.019 0.000 0.901 43 Q HN 0.709 nan 8.270 nan 0.000 0.422 44 P HA -0.123 nan 4.420 nan 0.000 0.218 44 P C 0.646 177.954 177.300 0.013 0.000 1.149 44 P CA 1.450 64.559 63.100 0.015 0.000 0.817 44 P CB 0.005 31.712 31.700 0.011 0.000 0.785 45 K N -0.541 119.865 120.400 0.011 0.000 2.155 45 K HA 0.027 4.347 4.320 0.000 0.000 0.203 45 K C 2.002 178.605 176.600 0.006 0.000 1.052 45 K CA 1.329 57.620 56.287 0.006 0.000 0.948 45 K CB -0.846 31.656 32.500 0.004 0.000 0.728 45 K HN 0.035 nan 8.250 nan 0.000 0.448 46 M N 0.415 120.023 119.600 0.013 0.000 2.175 46 M HA -0.137 4.343 4.480 0.000 0.000 0.264 46 M C 1.051 177.365 176.300 0.024 0.000 1.063 46 M CA 1.457 56.768 55.300 0.018 0.000 1.119 46 M CB -0.170 32.451 32.600 0.035 0.000 1.377 46 M HN 0.094 nan 8.290 nan 0.000 0.415 47 D N 0.085 120.506 120.400 0.036 0.000 2.183 47 D HA -0.144 4.496 4.640 0.000 0.000 0.203 47 D C 1.780 178.093 176.300 0.021 0.000 0.969 47 D CA 1.025 55.052 54.000 0.045 0.000 0.842 47 D CB -0.209 40.618 40.800 0.047 0.000 0.957 47 D HN 0.455 nan 8.370 nan 0.000 0.484 48 E N 0.175 120.381 120.200 0.009 0.000 2.150 48 E HA -0.064 4.286 4.350 0.000 0.000 0.193 48 E C 1.601 178.193 176.600 -0.014 0.000 0.985 48 E CA 0.411 56.811 56.400 -0.000 0.000 0.814 48 E CB 0.168 29.869 29.700 0.000 0.000 0.752 48 E HN 0.248 nan 8.360 nan 0.000 0.466 49 L N 0.325 121.534 121.223 -0.023 0.000 2.667 49 L HA 0.133 4.473 4.340 0.000 0.000 0.232 49 L C 0.039 176.862 176.870 -0.079 0.000 1.138 49 L CA -0.025 54.789 54.840 -0.043 0.000 0.921 49 L CB 0.183 42.218 42.059 -0.039 0.000 1.180 49 L HN 0.032 nan 8.230 nan 0.000 0.487 50 Q N 1.000 120.750 119.800 -0.083 0.000 2.439 50 Q HA -0.182 4.158 4.340 0.000 0.000 0.325 50 Q C -0.693 175.125 176.000 -0.304 0.000 1.372 50 Q CA 0.552 56.256 55.803 -0.165 0.000 0.909 50 Q CB -1.384 27.252 28.738 -0.170 0.000 1.167 50 Q HN 0.459 nan 8.270 nan 0.000 0.418 51 L N 1.189 122.304 121.223 -0.181 0.000 2.295 51 L HA 0.490 4.830 4.340 0.000 0.000 0.281 51 L C 0.291 177.160 176.870 -0.002 0.000 1.018 51 L CA -0.528 54.216 54.840 -0.161 0.000 0.841 51 L CB 0.604 42.620 42.059 -0.072 0.000 1.218 51 L HN 0.134 nan 8.230 nan 0.000 0.424 52 F N 1.574 121.516 119.950 -0.013 0.000 2.435 52 F HA 0.307 4.835 4.527 0.000 0.000 0.316 52 F C 1.197 176.988 175.800 -0.014 0.000 1.220 52 F CA -0.894 57.098 58.000 -0.012 0.000 1.241 52 F CB 0.514 39.506 39.000 -0.013 0.000 1.234 52 F HN 0.428 nan 8.300 nan 0.000 0.569 53 R N 0.380 121.002 120.500 0.202 0.000 2.590 53 R HA 0.215 4.556 4.340 0.000 0.000 0.274 53 R C 0.818 177.167 176.300 0.082 0.000 1.061 53 R CA 0.934 57.093 56.100 0.098 0.000 1.081 53 R CB 0.293 30.627 30.300 0.057 0.000 0.984 53 R HN 0.932 nan 8.270 nan 0.000 0.448 54 G N 2.782 111.611 108.800 0.048 0.000 2.168 54 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 54 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 54 G C -0.441 174.475 174.900 0.026 0.000 0.997 54 G CA 0.326 45.445 45.100 0.031 0.000 0.708 54 G HN 0.637 nan 8.290 nan 0.000 0.520 55 D N 1.035 121.453 120.400 0.030 0.000 2.341 55 D HA 0.469 5.109 4.640 0.000 0.000 0.245 55 D C 1.175 177.460 176.300 -0.025 0.000 1.106 55 D CA 0.762 54.764 54.000 0.003 0.000 0.905 55 D CB 0.918 41.710 40.800 -0.014 0.000 1.202 55 D HN 0.338 nan 8.370 nan 0.000 0.426 56 T N -1.163 113.364 114.554 -0.044 0.000 2.814 56 T HA 0.447 4.797 4.350 0.000 0.000 0.297 56 T C 0.425 175.075 174.700 -0.084 0.000 0.956 56 T CA -0.848 61.213 62.100 -0.065 0.000 1.123 56 T CB 0.456 69.278 68.868 -0.077 0.000 0.902 56 T HN 0.196 nan 8.240 nan 0.000 0.528 57 V N 1.313 121.172 119.914 -0.092 0.000 2.864 57 V HA 0.837 4.957 4.120 0.000 0.000 0.314 57 V C -0.705 175.305 176.094 -0.140 0.000 1.073 57 V CA -1.465 60.774 62.300 -0.101 0.000 0.956 57 V CB 1.697 33.478 31.823 -0.070 0.000 1.023 57 V HN 0.812 nan 8.190 nan 0.000 0.435 58 L N 3.833 124.970 121.223 -0.144 0.000 2.296 58 L HA 0.711 5.051 4.340 0.000 0.000 0.286 58 L C -0.764 176.049 176.870 -0.094 0.000 1.023 58 L CA -0.236 54.505 54.840 -0.166 0.000 0.812 58 L CB 1.062 43.002 42.059 -0.198 0.000 1.223 58 L HN 0.761 nan 8.230 nan 0.000 0.421 59 L N 5.076 126.252 121.223 -0.077 0.000 2.329 59 L HA 0.586 4.926 4.340 0.000 0.000 0.279 59 L C -0.387 176.468 176.870 -0.024 0.000 1.014 59 L CA -0.741 54.075 54.840 -0.040 0.000 0.814 59 L CB 1.661 43.702 42.059 -0.029 0.000 1.257 59 L HN 0.533 nan 8.230 nan 0.000 0.424 60 K N 1.294 121.689 120.400 -0.009 0.000 2.376 60 K HA 0.594 4.914 4.320 0.000 0.000 0.257 60 K C 0.045 176.651 176.600 0.009 0.000 0.939 60 K CA -0.433 55.858 56.287 0.005 0.000 0.809 60 K CB 2.353 34.860 32.500 0.012 0.000 1.121 60 K HN 0.746 nan 8.250 nan 0.000 0.425 61 G N 2.178 110.985 108.800 0.012 0.000 3.134 61 G HA2 0.308 4.269 3.960 0.000 0.000 0.158 61 G HA3 0.308 4.269 3.960 0.000 0.000 0.158 61 G C -0.628 174.280 174.900 0.013 0.000 1.334 61 G CA -0.410 44.697 45.100 0.011 0.000 1.001 61 G HN 0.373 nan 8.290 nan 0.000 0.600 62 K N -0.184 120.221 120.400 0.008 0.000 2.090 62 K HA 0.390 4.710 4.320 0.000 0.000 0.249 62 K C -0.295 176.296 176.600 -0.016 0.000 0.995 62 K CA -0.424 55.865 56.287 0.004 0.000 0.914 62 K CB 0.907 33.408 32.500 0.000 0.000 1.057 62 K HN 0.350 nan 8.250 nan 0.000 0.462 63 K N 1.106 121.483 120.400 -0.038 0.000 3.071 63 K HA -0.275 4.045 4.320 0.000 0.000 0.262 63 K C -0.291 176.274 176.600 -0.058 0.000 0.977 63 K CA 0.940 57.178 56.287 -0.082 0.000 0.721 63 K CB -1.162 31.279 32.500 -0.098 0.000 1.293 63 K HN 0.748 nan 8.250 nan 0.000 0.475 64 R N -1.040 119.444 120.500 -0.027 0.000 3.875 64 R HA -0.213 4.127 4.340 0.000 0.000 0.321 64 R C -0.842 175.462 176.300 0.006 0.000 1.196 64 R CA 1.287 57.383 56.100 -0.006 0.000 0.868 64 R CB -0.613 29.676 30.300 -0.018 0.000 1.333 64 R HN 0.280 nan 8.270 nan 0.000 0.522 65 R N 1.010 121.513 120.500 0.005 0.000 2.457 65 R HA 0.416 4.756 4.340 0.000 0.000 0.284 65 R C -0.142 176.172 176.300 0.024 0.000 1.024 65 R CA -0.229 55.880 56.100 0.016 0.000 1.025 65 R CB 1.081 31.386 30.300 0.009 0.000 1.063 65 R HN 0.393 nan 8.270 nan 0.000 0.493 66 E N -0.190 120.031 120.200 0.036 0.000 2.393 66 E HA 0.709 5.059 4.350 0.000 0.000 0.273 66 E C -1.400 175.218 176.600 0.029 0.000 0.918 66 E CA -0.940 55.477 56.400 0.030 0.000 0.773 66 E CB 2.612 32.341 29.700 0.048 0.000 1.275 66 E HN 0.629 nan 8.360 nan 0.000 0.451 67 A N 0.911 123.729 122.820 -0.003 0.000 2.517 67 A HA 0.551 4.871 4.320 0.000 0.000 0.297 67 A C -1.094 176.452 177.584 -0.062 0.000 1.050 67 A CA -0.754 51.281 52.037 -0.005 0.000 0.694 67 A CB 1.165 20.174 19.000 0.014 0.000 1.277 67 A HN 0.340 nan 8.150 nan 0.000 0.400 68 V N -0.801 119.069 119.914 -0.073 0.000 2.394 68 V HA 0.758 4.879 4.120 0.000 0.000 0.282 68 V C -0.023 176.034 176.094 -0.062 0.000 1.031 68 V CA -0.727 61.498 62.300 -0.126 0.000 0.881 68 V CB 0.118 31.817 31.823 -0.207 0.000 0.982 68 V HN 0.967 nan 8.190 nan 0.000 0.451 69 C N 4.455 123.716 119.300 -0.065 0.000 2.971 69 C HA 0.693 5.154 4.460 0.000 0.000 0.310 69 C C -0.126 174.842 174.990 -0.038 0.000 1.285 69 C CA -0.723 58.274 59.018 -0.036 0.000 1.593 69 C CB 1.946 29.672 27.740 -0.024 0.000 2.076 69 C HN 1.001 nan 8.230 nan 0.000 0.472 70 I N 1.434 121.991 120.570 -0.021 0.000 2.336 70 I HA 0.488 4.658 4.170 0.000 0.000 0.292 70 I C -0.425 175.687 176.117 -0.009 0.000 0.991 70 I CA -0.133 61.157 61.300 -0.015 0.000 1.227 70 I CB 1.080 39.078 38.000 -0.005 0.000 1.366 70 I HN 0.440 nan 8.210 nan 0.000 0.466 71 V N 8.600 128.510 119.914 -0.007 0.000 2.407 71 V HA 0.485 4.605 4.120 0.000 0.000 0.278 71 V C -0.371 175.730 176.094 0.012 0.000 1.037 71 V CA -0.236 62.063 62.300 -0.001 0.000 0.900 71 V CB 1.160 32.979 31.823 -0.008 0.000 0.983 71 V HN 0.552 nan 8.190 nan 0.000 0.459 72 L N 5.411 126.641 121.223 0.011 0.000 2.323 72 L HA 0.647 4.987 4.340 0.000 0.000 0.265 72 L C 0.091 176.970 176.870 0.016 0.000 1.012 72 L CA -0.736 54.113 54.840 0.015 0.000 0.820 72 L CB 2.571 44.637 42.059 0.011 0.000 1.334 72 L HN 0.683 nan 8.230 nan 0.000 0.427 73 S N -0.697 115.014 115.700 0.018 0.000 2.513 73 S HA 0.465 4.935 4.470 0.000 0.000 0.276 73 S C -0.860 173.748 174.600 0.012 0.000 1.254 73 S CA -0.707 57.503 58.200 0.017 0.000 1.053 73 S CB 1.601 64.814 63.200 0.020 0.000 0.958 73 S HN 0.563 nan 8.310 nan 0.000 0.491 74 D N 0.650 121.056 120.400 0.011 0.000 2.619 74 D HA 0.416 5.056 4.640 0.000 0.000 0.241 74 D C -0.419 175.886 176.300 0.008 0.000 1.087 74 D CA -0.642 53.363 54.000 0.009 0.000 0.851 74 D CB 2.120 42.925 40.800 0.008 0.000 1.474 74 D HN 0.447 nan 8.370 nan 0.000 0.478 75 D N 0.429 120.833 120.400 0.007 0.000 2.277 75 D HA -0.022 4.619 4.640 0.000 0.000 0.209 75 D C 1.554 177.857 176.300 0.005 0.000 0.970 75 D CA 0.583 54.586 54.000 0.006 0.000 0.874 75 D CB 0.209 41.012 40.800 0.005 0.000 0.982 75 D HN 0.389 nan 8.370 nan 0.000 0.504 76 T N -0.492 114.065 114.554 0.005 0.000 3.007 76 T HA -0.081 4.269 4.350 0.000 0.000 0.270 76 T C 0.770 175.473 174.700 0.005 0.000 1.107 76 T CA 0.232 62.335 62.100 0.005 0.000 1.118 76 T CB -0.526 68.345 68.868 0.005 0.000 0.889 76 T HN 0.210 nan 8.240 nan 0.000 0.506 77 C N 2.720 122.023 119.300 0.006 0.000 2.527 77 C HA 0.617 5.077 4.460 0.000 0.000 0.396 77 C C 0.900 175.893 174.990 0.005 0.000 1.289 77 C CA -0.889 58.133 59.018 0.006 0.000 2.047 77 C CB -0.462 27.282 27.740 0.006 0.000 2.568 77 C HN 0.499 nan 8.230 nan 0.000 0.573 78 S N 4.307 120.010 115.700 0.005 0.000 2.600 78 S HA 0.067 4.537 4.470 0.000 0.000 0.265 78 S C 0.869 175.472 174.600 0.004 0.000 1.325 78 S CA -0.309 57.893 58.200 0.004 0.000 1.002 78 S CB 0.792 63.994 63.200 0.004 0.000 0.921 78 S HN 0.873 nan 8.310 nan 0.000 0.554 79 D N 1.570 121.972 120.400 0.004 0.000 2.116 79 D HA -0.127 4.513 4.640 0.000 0.000 0.193 79 D C 1.193 177.495 176.300 0.003 0.000 0.998 79 D CA 1.446 55.448 54.000 0.004 0.000 0.836 79 D CB -0.102 40.701 40.800 0.004 0.000 0.951 79 D HN 0.670 nan 8.370 nan 0.000 0.449 80 E N -0.133 120.068 120.200 0.003 0.000 2.370 80 E HA 0.256 4.606 4.350 0.000 0.000 0.194 80 E C -0.291 176.310 176.600 0.003 0.000 1.057 80 E CA -0.128 56.273 56.400 0.002 0.000 1.011 80 E CB -0.040 29.661 29.700 0.002 0.000 1.132 80 E HN 0.039 nan 8.360 nan 0.000 0.450 81 K N 0.462 120.864 120.400 0.003 0.000 2.328 81 K HA 0.598 4.919 4.320 0.000 0.000 0.246 81 K C -1.135 175.467 176.600 0.003 0.000 0.955 81 K CA -1.005 55.284 56.287 0.003 0.000 0.817 81 K CB 2.379 34.881 32.500 0.004 0.000 1.208 81 K HN 0.131 nan 8.250 nan 0.000 0.432 82 I N 1.437 122.009 120.570 0.003 0.000 2.509 82 I HA 0.372 4.542 4.170 0.000 0.000 0.293 82 I C -1.048 175.072 176.117 0.005 0.000 1.020 82 I CA -0.743 60.559 61.300 0.003 0.000 1.088 82 I CB 1.178 39.179 38.000 0.001 0.000 1.267 82 I HN 0.474 nan 8.210 nan 0.000 0.430 83 R N 8.760 129.264 120.500 0.006 0.000 2.294 83 R HA 0.696 5.036 4.340 0.000 0.000 0.319 83 R C -1.037 175.269 176.300 0.009 0.000 0.984 83 R CA -0.637 55.468 56.100 0.008 0.000 0.861 83 R CB 1.649 31.954 30.300 0.008 0.000 1.104 83 R HN 0.686 nan 8.270 nan 0.000 0.451 84 M N 0.401 120.008 119.600 0.012 0.000 2.413 84 M HA 0.370 4.850 4.480 0.000 0.000 0.287 84 M C -1.055 175.257 176.300 0.020 0.000 1.186 84 M CA -1.299 54.011 55.300 0.016 0.000 0.927 84 M CB 1.963 34.572 32.600 0.015 0.000 1.715 84 M HN 0.368 nan 8.290 nan 0.000 0.478 85 N N 1.634 120.350 118.700 0.027 0.000 2.322 85 N HA 0.355 5.095 4.740 0.000 0.000 0.270 85 N C 0.216 175.745 175.510 0.031 0.000 1.286 85 N CA -0.326 52.742 53.050 0.030 0.000 0.948 85 N CB 0.507 39.017 38.487 0.038 0.000 1.164 85 N HN 0.847 nan 8.380 nan 0.000 0.551 86 R N -0.973 119.545 120.500 0.030 0.000 2.105 86 R HA -0.060 4.281 4.340 0.000 0.000 0.239 86 R C 1.746 178.068 176.300 0.036 0.000 1.135 86 R CA 1.203 57.319 56.100 0.027 0.000 0.967 86 R CB -0.665 29.648 30.300 0.021 0.000 0.861 86 R HN 0.400 nan 8.270 nan 0.000 0.442 87 V N 0.435 120.380 119.914 0.052 0.000 2.287 87 V HA -0.232 3.889 4.120 0.000 0.000 0.248 87 V C 2.361 178.500 176.094 0.075 0.000 1.053 87 V CA 1.699 64.044 62.300 0.075 0.000 1.027 87 V CB -0.296 31.594 31.823 0.112 0.000 0.646 87 V HN 0.127 nan 8.190 nan 0.000 0.447 88 V N -0.398 119.554 119.914 0.063 0.000 2.358 88 V HA -0.238 3.882 4.120 0.000 0.000 0.246 88 V C 2.534 178.650 176.094 0.037 0.000 1.047 88 V CA 2.002 64.332 62.300 0.051 0.000 1.035 88 V CB -0.808 31.038 31.823 0.038 0.000 0.658 88 V HN 0.432 nan 8.190 nan 0.000 0.452 89 R N 0.076 120.594 120.500 0.031 0.000 2.081 89 R HA -0.186 4.155 4.340 0.000 0.000 0.235 89 R C 2.265 178.577 176.300 0.020 0.000 1.131 89 R CA 2.015 58.128 56.100 0.022 0.000 0.960 89 R CB -0.453 29.857 30.300 0.017 0.000 0.856 89 R HN 0.576 nan 8.270 nan 0.000 0.436 90 N N 0.318 119.033 118.700 0.025 0.000 2.043 90 N HA -0.160 4.580 4.740 0.000 0.000 0.193 90 N C 1.272 176.798 175.510 0.027 0.000 1.037 90 N CA 1.736 54.799 53.050 0.022 0.000 0.851 90 N CB -0.125 38.376 38.487 0.024 0.000 1.027 90 N HN 0.277 nan 8.380 nan 0.000 0.422 91 N N -0.217 118.509 118.700 0.043 0.000 2.223 91 N HA -0.082 4.658 4.740 0.000 0.000 0.185 91 N C 0.945 176.476 175.510 0.035 0.000 1.016 91 N CA 0.604 53.684 53.050 0.050 0.000 0.863 91 N CB -0.005 38.527 38.487 0.074 0.000 0.983 91 N HN 0.218 nan 8.380 nan 0.000 0.429 92 L N 0.457 121.696 121.223 0.026 0.000 2.591 92 L HA 0.185 4.525 4.340 0.000 0.000 0.228 92 L C 0.150 177.026 176.870 0.009 0.000 1.133 92 L CA -0.049 54.802 54.840 0.017 0.000 0.880 92 L CB 0.077 42.145 42.059 0.014 0.000 1.033 92 L HN 0.092 nan 8.230 nan 0.000 0.450 93 R N 0.138 120.642 120.500 0.007 0.000 3.416 93 R HA -0.136 4.204 4.340 0.000 0.000 0.263 93 R C -0.497 175.802 176.300 -0.002 0.000 1.053 93 R CA 0.813 56.911 56.100 -0.003 0.000 0.705 93 R CB -2.670 27.622 30.300 -0.013 0.000 1.124 93 R HN 0.331 nan 8.270 nan 0.000 0.444 94 V N -3.681 116.235 119.914 0.003 0.000 2.864 94 V HA 1.013 5.133 4.120 0.000 0.000 0.314 94 V C 0.722 176.818 176.094 0.004 0.000 1.073 94 V CA -0.267 62.036 62.300 0.004 0.000 0.956 94 V CB 2.594 34.421 31.823 0.007 0.000 1.023 94 V HN 0.223 nan 8.190 nan 0.000 0.435 95 G N 1.391 110.193 108.800 0.003 0.000 2.644 95 G HA2 0.641 4.601 3.960 0.000 0.000 0.307 95 G HA3 0.641 4.601 3.960 0.000 0.000 0.307 95 G C -0.905 173.998 174.900 0.005 0.000 1.250 95 G CA -1.310 43.792 45.100 0.004 0.000 0.996 95 G HN 0.895 nan 8.290 nan 0.000 0.489 96 L N 1.077 122.303 121.223 0.005 0.000 2.628 96 L HA 0.315 4.655 4.340 0.000 0.000 0.274 96 L C 1.597 178.470 176.870 0.005 0.000 1.209 96 L CA 2.067 56.910 54.840 0.005 0.000 0.930 96 L CB 0.270 42.332 42.059 0.005 0.000 1.183 96 L HN 1.135 nan 8.230 nan 0.000 0.492 97 G N 1.126 109.929 108.800 0.005 0.000 2.307 97 G HA2 -0.212 3.748 3.960 0.000 0.000 0.210 97 G HA3 -0.212 3.748 3.960 0.000 0.000 0.210 97 G C 0.116 175.020 174.900 0.006 0.000 1.005 97 G CA -0.286 44.817 45.100 0.005 0.000 0.634 97 G HN 0.555 nan 8.290 nan 0.000 0.496 98 D N 1.141 121.545 120.400 0.006 0.000 2.382 98 D HA 0.438 5.078 4.640 0.000 0.000 0.240 98 D C 1.160 177.465 176.300 0.008 0.000 1.146 98 D CA 0.569 54.574 54.000 0.008 0.000 0.897 98 D CB 1.677 42.483 40.800 0.008 0.000 1.197 98 D HN 0.952 nan 8.370 nan 0.000 0.432 99 V N -0.589 119.331 119.914 0.010 0.000 2.686 99 V HA 0.645 4.766 4.120 0.000 0.000 0.295 99 V C 0.122 176.222 176.094 0.011 0.000 1.057 99 V CA -0.651 61.655 62.300 0.010 0.000 1.012 99 V CB 0.799 32.628 31.823 0.010 0.000 1.006 99 V HN 0.448 nan 8.190 nan 0.000 0.477 100 I N 1.031 121.606 120.570 0.008 0.000 3.042 100 I HA 0.809 4.979 4.170 0.000 0.000 0.310 100 I C -0.058 176.062 176.117 0.005 0.000 1.117 100 I CA -0.747 60.558 61.300 0.007 0.000 1.003 100 I CB 1.944 39.947 38.000 0.004 0.000 1.228 100 I HN 0.519 nan 8.210 nan 0.000 0.443 101 S N 2.951 118.653 115.700 0.005 0.000 2.585 101 S HA 0.695 5.165 4.470 0.000 0.000 0.277 101 S C -0.486 174.108 174.600 -0.009 0.000 1.241 101 S CA -0.429 57.771 58.200 0.001 0.000 1.041 101 S CB 0.919 64.122 63.200 0.006 0.000 0.987 101 S HN 0.652 nan 8.310 nan 0.000 0.512 102 I N 2.325 122.886 120.570 -0.013 0.000 2.466 102 I HA 0.420 4.590 4.170 0.000 0.000 0.289 102 I C -0.946 175.153 176.117 -0.030 0.000 1.026 102 I CA -0.369 60.916 61.300 -0.024 0.000 1.078 102 I CB 1.520 39.506 38.000 -0.023 0.000 1.249 102 I HN 0.541 nan 8.210 nan 0.000 0.429 103 Q N 8.381 128.155 119.800 -0.043 0.000 2.356 103 Q HA 0.558 4.899 4.340 0.000 0.000 0.270 103 Q C -2.547 173.415 176.000 -0.063 0.000 1.058 103 Q CA -2.100 53.676 55.803 -0.046 0.000 0.802 103 Q CB 2.602 31.316 28.738 -0.040 0.000 1.303 103 Q HN 0.345 nan 8.270 nan 0.000 0.444 104 P HA -0.035 nan 4.420 nan 0.000 0.269 104 P C -0.683 176.572 177.300 -0.074 0.000 1.209 104 P CA -0.019 63.034 63.100 -0.079 0.000 0.776 104 P CB 0.671 32.318 31.700 -0.088 0.000 0.876 105 C N 4.783 124.034 119.300 -0.082 0.000 3.517 105 C HA 0.312 4.772 4.460 0.000 0.000 0.202 105 C C -1.827 173.130 174.990 -0.056 0.000 1.370 105 C CA -1.299 57.671 59.018 -0.079 0.000 1.308 105 C CB -0.416 27.236 27.740 -0.148 0.000 1.840 105 C HN 0.440 nan 8.230 nan 0.000 0.525 106 P HA 0.139 nan 4.420 nan 0.000 0.257 106 P C 0.914 178.208 177.300 -0.011 0.000 1.281 106 P CA 0.756 63.837 63.100 -0.032 0.000 0.826 106 P CB 0.166 31.846 31.700 -0.034 0.000 1.237 107 D N -0.133 120.277 120.400 0.016 0.000 2.224 107 D HA -0.029 4.611 4.640 0.000 0.000 0.205 107 D C 0.431 176.759 176.300 0.048 0.000 0.965 107 D CA 0.563 54.590 54.000 0.045 0.000 0.852 107 D CB 0.020 40.873 40.800 0.089 0.000 0.947 107 D HN 0.013 nan 8.370 nan 0.000 0.494 108 V N 2.714 122.656 119.914 0.047 0.000 2.506 108 V HA -0.105 4.015 4.120 0.000 0.000 0.296 108 V C 0.759 176.818 176.094 -0.058 0.000 1.004 108 V CA 0.233 62.560 62.300 0.046 0.000 1.150 108 V CB -0.319 31.513 31.823 0.014 0.000 0.911 108 V HN -0.031 nan 8.190 nan 0.000 0.476 109 K N 4.025 124.414 120.400 -0.019 0.000 2.168 109 K HA 0.389 4.709 4.320 0.000 0.000 0.258 109 K C -0.541 176.016 176.600 -0.071 0.000 1.010 109 K CA -0.512 55.765 56.287 -0.017 0.000 0.929 109 K CB 0.519 33.041 32.500 0.036 0.000 0.998 109 K HN 0.524 nan 8.250 nan 0.000 0.479 110 Y N 0.494 120.828 120.300 0.057 0.000 2.511 110 Y HA 0.070 4.620 4.550 0.000 0.000 0.332 110 Y C 1.396 177.321 175.900 0.041 0.000 1.177 110 Y CA 0.137 58.277 58.100 0.066 0.000 1.422 110 Y CB 0.509 39.014 38.460 0.075 0.000 1.271 110 Y HN 0.673 nan 8.280 nan 0.000 0.550 111 G N 3.006 111.909 108.800 0.171 0.000 2.398 111 G HA2 0.127 4.087 3.960 0.000 0.000 0.246 111 G HA3 0.127 4.087 3.960 0.000 0.000 0.246 111 G C 0.463 175.405 174.900 0.069 0.000 1.289 111 G CA -0.438 44.712 45.100 0.083 0.000 0.869 111 G HN 0.724 nan 8.290 nan 0.000 0.543 112 K N 1.056 121.485 120.400 0.048 0.000 2.102 112 K HA 0.203 4.523 4.320 0.000 0.000 0.206 112 K C 0.955 177.568 176.600 0.022 0.000 1.031 112 K CA 0.693 57.002 56.287 0.036 0.000 0.962 112 K CB 0.267 32.789 32.500 0.038 0.000 0.811 112 K HN 0.503 nan 8.250 nan 0.000 0.453 113 R N 0.266 120.790 120.500 0.039 0.000 2.621 113 R HA 0.451 4.792 4.340 0.000 0.000 0.284 113 R C -1.119 175.226 176.300 0.075 0.000 0.998 113 R CA -0.707 55.434 56.100 0.069 0.000 0.895 113 R CB 1.927 32.314 30.300 0.145 0.000 1.195 113 R HN 0.251 nan 8.270 nan 0.000 0.450 114 I N -1.999 118.612 120.570 0.068 0.000 2.689 114 I HA 0.532 4.702 4.170 0.000 0.000 0.299 114 I C -0.957 175.262 176.117 0.171 0.000 1.059 114 I CA -0.924 60.431 61.300 0.092 0.000 1.055 114 I CB 2.367 40.373 38.000 0.010 0.000 1.243 114 I HN 0.587 nan 8.210 nan 0.000 0.425 115 H N 4.506 123.642 119.070 0.110 0.000 2.646 115 H HA 0.733 5.289 4.556 0.000 0.000 0.328 115 H C -1.137 174.274 175.328 0.139 0.000 0.998 115 H CA -0.638 55.485 56.048 0.126 0.000 1.225 115 H CB 1.523 31.332 29.762 0.079 0.000 1.457 115 H HN 0.685 nan 8.280 nan 0.000 0.505 116 V N 3.515 123.513 119.914 0.140 0.000 2.815 116 V HA 0.661 4.781 4.120 0.000 0.000 0.314 116 V C -0.880 175.336 176.094 0.203 0.000 1.064 116 V CA -0.934 61.498 62.300 0.219 0.000 0.952 116 V CB 2.051 34.005 31.823 0.219 0.000 1.020 116 V HN 0.633 nan 8.190 nan 0.000 0.439 117 L N 3.628 125.013 121.223 0.270 0.000 2.455 117 L HA 0.614 4.954 4.340 0.000 0.000 0.264 117 L C -2.664 174.325 176.870 0.197 0.000 0.968 117 L CA -1.742 53.239 54.840 0.235 0.000 0.827 117 L CB 3.411 45.580 42.059 0.182 0.000 1.317 117 L HN 0.508 nan 8.230 nan 0.000 0.407 118 P HA 0.233 nan 4.420 nan 0.000 0.277 118 P C -0.742 176.413 177.300 -0.243 0.000 1.240 118 P CA -0.341 62.565 63.100 -0.323 0.000 0.798 118 P CB 1.127 32.594 31.700 -0.388 0.000 0.979 119 I N 3.225 123.597 120.570 -0.329 0.000 2.396 119 I HA 0.003 4.173 4.170 0.000 0.000 0.289 119 I C 1.893 177.891 176.117 -0.199 0.000 1.056 119 I CA 0.281 61.452 61.300 -0.214 0.000 1.365 119 I CB 0.099 37.982 38.000 -0.196 0.000 1.407 119 I HN 0.413 nan 8.210 nan 0.000 0.509 120 D N 5.106 125.426 120.400 -0.132 0.000 2.154 120 D HA -0.327 4.313 4.640 0.000 0.000 0.190 120 D C 1.244 177.478 176.300 -0.110 0.000 1.003 120 D CA 2.173 56.110 54.000 -0.106 0.000 0.849 120 D CB -0.488 40.270 40.800 -0.069 0.000 0.942 120 D HN 0.695 nan 8.370 nan 0.000 0.446 121 D N 0.224 120.561 120.400 -0.105 0.000 2.312 121 D HA -0.126 4.514 4.640 0.000 0.000 0.211 121 D C 1.589 177.822 176.300 -0.111 0.000 0.964 121 D CA 1.681 55.626 54.000 -0.092 0.000 0.877 121 D CB -0.899 39.856 40.800 -0.076 0.000 0.924 121 D HN 0.460 nan 8.370 nan 0.000 0.515 122 T N -2.374 112.086 114.554 -0.157 0.000 3.206 122 T HA 0.275 4.625 4.350 0.000 0.000 0.253 122 T C 0.981 175.544 174.700 -0.228 0.000 1.042 122 T CA -0.343 61.642 62.100 -0.192 0.000 0.931 122 T CB 0.315 69.032 68.868 -0.251 0.000 1.029 122 T HN 0.013 nan 8.240 nan 0.000 0.564 123 V N 0.306 120.111 119.914 -0.181 0.000 3.415 123 V HA 0.312 4.432 4.120 0.000 0.000 0.315 123 V C -0.374 175.665 176.094 -0.091 0.000 1.516 123 V CA -0.511 61.686 62.300 -0.172 0.000 1.122 123 V CB 0.432 32.120 31.823 -0.225 0.000 0.988 123 V HN 0.469 nan 8.190 nan 0.000 0.474 124 E N 1.277 121.435 120.200 -0.071 0.000 2.324 124 E HA 0.509 4.860 4.350 0.000 0.000 0.271 124 E C 0.510 177.096 176.600 -0.023 0.000 1.028 124 E CA 0.875 57.251 56.400 -0.041 0.000 0.890 124 E CB 0.867 30.544 29.700 -0.038 0.000 1.004 124 E HN 0.580 nan 8.360 nan 0.000 0.431 125 G N 3.275 112.070 108.800 -0.009 0.000 3.172 125 G HA2 -0.133 3.828 3.960 0.000 0.000 0.686 125 G HA3 -0.133 3.828 3.960 0.000 0.000 0.686 125 G C -0.257 174.656 174.900 0.021 0.000 1.009 125 G CA -0.708 44.395 45.100 0.005 0.000 0.787 125 G HN 0.781 nan 8.290 nan 0.000 0.559 126 I N 0.928 121.515 120.570 0.029 0.000 8.399 126 I HA -0.262 3.908 4.170 0.000 0.000 0.126 126 I C 1.511 177.669 176.117 0.069 0.000 1.785 126 I CA 2.096 63.425 61.300 0.048 0.000 2.148 126 I CB -0.459 37.572 38.000 0.051 0.000 3.696 126 I HN 1.125 nan 8.210 nan 0.000 0.202 127 T N 5.195 119.789 114.554 0.066 0.000 2.770 127 T HA 0.217 4.567 4.350 0.000 0.000 0.258 127 T C 1.712 176.482 174.700 0.118 0.000 1.039 127 T CA 1.281 63.433 62.100 0.087 0.000 1.143 127 T CB -0.626 68.283 68.868 0.070 0.000 0.866 127 T HN 1.500 nan 8.240 nan 0.000 0.428 128 G N 2.512 111.365 108.800 0.089 0.000 3.434 128 G HA2 -0.346 3.614 3.960 0.000 0.000 0.343 128 G HA3 -0.346 3.614 3.960 0.000 0.000 0.343 128 G C 0.235 175.191 174.900 0.094 0.000 1.240 128 G CA 0.733 45.882 45.100 0.081 0.000 0.996 128 G HN 0.752 nan 8.290 nan 0.000 0.650 129 N N -0.160 118.616 118.700 0.126 0.000 2.537 129 N HA 0.356 5.096 4.740 0.000 0.000 0.281 129 N C 0.937 176.587 175.510 0.233 0.000 1.097 129 N CA -0.196 52.951 53.050 0.160 0.000 0.964 129 N CB 1.480 40.054 38.487 0.145 0.000 1.588 129 N HN 0.266 nan 8.380 nan 0.000 0.511 130 L N 2.432 123.821 121.223 0.277 0.000 2.156 130 L HA 0.006 4.346 4.340 0.000 0.000 0.208 130 L C 2.057 179.145 176.870 0.363 0.000 1.095 130 L CA 1.148 56.218 54.840 0.383 0.000 0.770 130 L CB -0.287 41.963 42.059 0.318 0.000 0.914 130 L HN 0.552 nan 8.230 nan 0.000 0.439 131 F N 0.855 120.886 119.950 0.135 0.000 2.146 131 F HA -0.216 4.311 4.527 0.000 0.000 0.298 131 F C 2.511 178.366 175.800 0.092 0.000 1.096 131 F CA 1.580 59.630 58.000 0.083 0.000 1.275 131 F CB 0.185 39.206 39.000 0.034 0.000 1.008 131 F HN -0.024 nan 8.300 nan 0.000 0.480 132 E N 0.153 120.341 120.200 -0.021 0.000 2.028 132 E HA -0.122 4.228 4.350 0.000 0.000 0.190 132 E C 2.114 178.620 176.600 -0.157 0.000 0.984 132 E CA 1.705 58.018 56.400 -0.145 0.000 0.800 132 E CB -0.483 29.227 29.700 0.016 0.000 0.758 132 E HN 0.272 nan 8.360 nan 0.000 0.448 133 V N -0.261 119.599 119.914 -0.090 0.000 2.379 133 V HA -0.186 3.935 4.120 0.000 0.000 0.245 133 V C 1.527 177.402 176.094 -0.364 0.000 1.044 133 V CA 1.802 63.942 62.300 -0.266 0.000 1.036 133 V CB -0.431 31.164 31.823 -0.380 0.000 0.664 133 V HN 0.293 nan 8.190 nan 0.000 0.453 134 Y N -1.245 119.054 120.300 -0.003 0.000 2.447 134 Y HA 0.260 4.810 4.550 0.000 0.000 0.286 134 Y C 2.012 177.893 175.900 -0.032 0.000 1.153 134 Y CA 0.328 58.449 58.100 0.035 0.000 1.241 134 Y CB -0.257 38.316 38.460 0.189 0.000 1.284 134 Y HN -0.023 nan 8.280 nan 0.000 0.520 135 L N 0.193 121.461 121.223 0.075 0.000 2.095 135 L HA -0.107 4.233 4.340 0.000 0.000 0.204 135 L C 2.409 179.327 176.870 0.080 0.000 1.080 135 L CA 1.303 56.189 54.840 0.076 0.000 0.759 135 L CB -0.385 41.758 42.059 0.141 0.000 0.914 135 L HN 0.106 nan 8.230 nan 0.000 0.439 136 K N 0.291 120.488 120.400 -0.338 0.000 2.032 136 K HA -0.159 4.162 4.320 0.000 0.000 0.209 136 K C -0.531 175.995 176.600 -0.124 0.000 1.048 136 K CA 1.629 57.685 56.287 -0.386 0.000 0.927 136 K CB -0.825 31.169 32.500 -0.844 0.000 0.712 136 K HN 0.216 nan 8.250 nan 0.000 0.441 137 P HA -0.163 nan 4.420 nan 0.000 0.223 137 P C 1.044 178.332 177.300 -0.019 0.000 1.151 137 P CA 1.077 64.141 63.100 -0.059 0.000 0.787 137 P CB -0.114 31.549 31.700 -0.062 0.000 0.788 138 Y N -0.514 119.697 120.300 -0.148 0.000 2.314 138 Y HA -0.043 4.507 4.550 0.000 0.000 0.293 138 Y C 1.762 177.436 175.900 -0.377 0.000 1.129 138 Y CA 1.442 59.380 58.100 -0.269 0.000 1.201 138 Y CB -0.448 37.808 38.460 -0.340 0.000 0.999 138 Y HN -0.263 nan 8.280 nan 0.000 0.541 139 F N -0.844 119.061 119.950 -0.074 0.000 2.500 139 F HA 0.153 4.680 4.527 0.000 0.000 0.285 139 F C 0.552 176.248 175.800 -0.174 0.000 1.088 139 F CA -0.275 57.631 58.000 -0.157 0.000 1.432 139 F CB -0.562 38.417 39.000 -0.035 0.000 1.131 139 F HN -0.197 nan 8.300 nan 0.000 0.582 140 L N 2.182 123.430 121.223 0.042 0.000 2.700 140 L HA -0.097 4.243 4.340 0.000 0.000 0.276 140 L C 0.931 177.747 176.870 -0.091 0.000 1.200 140 L CA 0.216 55.035 54.840 -0.036 0.000 0.951 140 L CB -0.211 41.823 42.059 -0.042 0.000 1.226 140 L HN 0.329 nan 8.230 nan 0.000 0.489 141 E N 1.768 121.866 120.200 -0.169 0.000 3.370 141 E HA -0.343 4.007 4.350 0.000 0.000 0.291 141 E C 1.062 177.583 176.600 -0.132 0.000 0.916 141 E CA 1.121 57.402 56.400 -0.199 0.000 0.981 141 E CB -1.712 27.953 29.700 -0.059 0.000 1.498 141 E HN 0.830 nan 8.360 nan 0.000 0.452 142 A N -0.500 122.237 122.820 -0.138 0.000 2.081 142 A HA 0.085 4.405 4.320 0.000 0.000 0.214 142 A C 0.528 178.165 177.584 0.089 0.000 1.158 142 A CA 0.754 52.766 52.037 -0.043 0.000 0.724 142 A CB -0.268 18.648 19.000 -0.141 0.000 0.826 142 A HN 0.304 nan 8.150 nan 0.000 0.463 143 Y N -0.106 120.230 120.300 0.060 0.000 3.037 143 Y HA -0.228 4.323 4.550 0.000 0.000 0.204 143 Y C 0.534 176.459 175.900 0.042 0.000 1.275 143 Y CA 0.484 58.632 58.100 0.080 0.000 1.066 143 Y CB -1.905 36.613 38.460 0.097 0.000 1.305 143 Y HN 0.380 nan 8.280 nan 0.000 0.499 144 R N 1.425 122.015 120.500 0.150 0.000 2.442 144 R HA 0.222 4.562 4.340 0.000 0.000 0.291 144 R C -2.371 173.990 176.300 0.101 0.000 1.069 144 R CA -1.558 54.602 56.100 0.099 0.000 1.022 144 R CB 0.368 30.729 30.300 0.101 0.000 0.976 144 R HN -0.005 nan 8.270 nan 0.000 0.443 145 P HA 0.173 nan 4.420 nan 0.000 0.287 145 P C -0.724 176.609 177.300 0.055 0.000 1.294 145 P CA -0.254 62.870 63.100 0.040 0.000 0.776 145 P CB 0.546 32.241 31.700 -0.007 0.000 0.889 146 I N -0.091 120.530 120.570 0.085 0.000 2.689 146 I HA 0.683 4.853 4.170 0.000 0.000 0.299 146 I C -0.425 175.781 176.117 0.150 0.000 1.059 146 I CA -1.305 60.056 61.300 0.102 0.000 1.055 146 I CB 2.968 41.032 38.000 0.105 0.000 1.243 146 I HN 0.063 nan 8.210 nan 0.000 0.425 147 R N 3.302 123.898 120.500 0.161 0.000 2.664 147 R HA 0.390 4.731 4.340 0.000 0.000 0.286 147 R C -0.474 175.932 176.300 0.177 0.000 0.967 147 R CA -1.024 55.198 56.100 0.202 0.000 0.933 147 R CB 1.772 32.186 30.300 0.190 0.000 1.146 147 R HN 0.774 nan 8.270 nan 0.000 0.468 148 K N 1.101 121.595 120.400 0.156 0.000 2.511 148 K HA -0.075 4.246 4.320 0.000 0.000 0.280 148 K C 0.523 177.199 176.600 0.126 0.000 1.008 148 K CA 1.674 58.038 56.287 0.129 0.000 1.050 148 K CB 0.164 32.717 32.500 0.089 0.000 0.889 148 K HN 0.840 nan 8.250 nan 0.000 0.484 149 G N 3.013 111.890 108.800 0.128 0.000 2.179 149 G HA2 -0.222 3.738 3.960 0.000 0.000 0.260 149 G HA3 -0.222 3.738 3.960 0.000 0.000 0.260 149 G C -0.366 174.612 174.900 0.130 0.000 0.977 149 G CA 0.216 45.381 45.100 0.109 0.000 0.641 149 G HN 0.744 nan 8.290 nan 0.000 0.533 150 D N 0.430 120.939 120.400 0.181 0.000 2.458 150 D HA 0.424 5.064 4.640 0.000 0.000 0.243 150 D C 0.661 177.127 176.300 0.277 0.000 1.146 150 D CA 0.363 54.501 54.000 0.229 0.000 0.877 150 D CB 0.657 41.626 40.800 0.280 0.000 1.176 150 D HN 0.303 nan 8.370 nan 0.000 0.461 151 I N 3.995 124.690 120.570 0.209 0.000 2.339 151 I HA 0.324 4.494 4.170 0.000 0.000 0.290 151 I C -0.290 175.953 176.117 0.210 0.000 0.994 151 I CA -0.835 60.545 61.300 0.133 0.000 1.191 151 I CB 0.499 38.521 38.000 0.037 0.000 1.343 151 I HN 0.133 nan 8.210 nan 0.000 0.458 152 F N 5.556 125.548 119.950 0.070 0.000 2.576 152 F HA 0.812 5.339 4.527 0.000 0.000 0.313 152 F C -1.317 174.476 175.800 -0.011 0.000 1.078 152 F CA -1.485 56.535 58.000 0.033 0.000 0.921 152 F CB 1.143 40.169 39.000 0.042 0.000 1.232 152 F HN 0.263 nan 8.300 nan 0.000 0.459 153 L N 3.596 124.870 121.223 0.085 0.000 2.289 153 L HA 0.798 5.138 4.340 0.000 0.000 0.285 153 L C -1.223 175.648 176.870 0.002 0.000 1.049 153 L CA -0.507 54.318 54.840 -0.024 0.000 0.804 153 L CB 1.514 43.573 42.059 -0.000 0.000 1.195 153 L HN 0.657 nan 8.230 nan 0.000 0.428 154 V N 5.420 125.331 119.914 -0.006 0.000 2.577 154 V HA 0.512 4.632 4.120 0.000 0.000 0.303 154 V C -0.051 176.152 176.094 0.182 0.000 1.042 154 V CA -0.743 61.596 62.300 0.064 0.000 0.872 154 V CB 1.711 33.588 31.823 0.090 0.000 0.998 154 V HN 0.685 nan 8.190 nan 0.000 0.423 155 R N 2.184 122.788 120.500 0.175 0.000 2.357 155 R HA 0.622 4.962 4.340 0.000 0.000 0.296 155 R C 0.532 176.939 176.300 0.178 0.000 1.052 155 R CA 0.018 56.225 56.100 0.179 0.000 0.988 155 R CB 1.398 31.758 30.300 0.100 0.000 1.025 155 R HN 0.948 nan 8.270 nan 0.000 0.469 156 G N 1.555 110.438 108.800 0.139 0.000 4.332 156 G HA2 0.425 4.385 3.960 0.000 0.000 0.321 156 G HA3 0.425 4.385 3.960 0.000 0.000 0.321 156 G C 0.562 175.363 174.900 -0.165 0.000 1.439 156 G CA 0.099 45.063 45.100 -0.227 0.000 0.900 156 G HN 0.883 nan 8.290 nan 0.000 0.515 157 G N 2.786 111.543 108.800 -0.071 0.000 3.581 157 G HA2 -0.475 3.485 3.960 0.000 0.000 0.336 157 G HA3 -0.475 3.485 3.960 0.000 0.000 0.336 157 G C 1.919 176.816 174.900 -0.004 0.000 1.259 157 G CA 1.966 47.041 45.100 -0.042 0.000 1.001 157 G HN 1.258 nan 8.290 nan 0.000 0.662 158 M N 0.823 120.423 119.600 -0.000 0.000 2.151 158 M HA -0.001 4.479 4.480 0.000 0.000 0.256 158 M C 1.493 177.822 176.300 0.048 0.000 1.072 158 M CA 2.847 58.162 55.300 0.026 0.000 1.090 158 M CB -0.677 31.944 32.600 0.035 0.000 1.294 158 M HN 0.953 nan 8.290 nan 0.000 0.415 159 R N 0.274 120.830 120.500 0.092 0.000 2.829 159 R HA 0.801 5.142 4.340 0.000 0.000 0.267 159 R C -1.974 174.406 176.300 0.134 0.000 1.051 159 R CA -0.568 55.582 56.100 0.084 0.000 0.927 159 R CB 1.157 31.486 30.300 0.048 0.000 1.292 159 R HN 0.139 nan 8.270 nan 0.000 0.445 160 A N 0.957 123.807 122.820 0.049 0.000 2.331 160 A HA 0.640 4.960 4.320 0.000 0.000 0.320 160 A C -0.898 176.606 177.584 -0.132 0.000 1.138 160 A CA -0.744 51.301 52.037 0.012 0.000 0.790 160 A CB 1.690 20.688 19.000 -0.002 0.000 1.206 160 A HN 0.349 nan 8.150 nan 0.000 0.470 161 V N 2.648 122.404 119.914 -0.264 0.000 2.495 161 V HA 0.323 4.443 4.120 0.000 0.000 0.298 161 V C -0.044 175.634 176.094 -0.693 0.000 1.031 161 V CA -0.579 61.367 62.300 -0.591 0.000 0.871 161 V CB 1.559 32.769 31.823 -1.021 0.000 0.988 161 V HN 0.984 nan 8.190 nan 0.000 0.432 162 E N 3.504 123.312 120.200 -0.653 0.000 2.259 162 E HA 0.519 4.870 4.350 0.000 0.000 0.281 162 E C -1.427 174.673 176.600 -0.834 0.000 1.027 162 E CA -0.140 55.919 56.400 -0.568 0.000 0.838 162 E CB 1.191 30.697 29.700 -0.324 0.000 1.066 162 E HN 0.502 nan 8.360 nan 0.000 0.401 163 F N 1.798 121.362 119.950 -0.642 0.000 2.522 163 F HA 0.389 4.917 4.527 0.000 0.000 0.324 163 F C 0.307 175.798 175.800 -0.515 0.000 1.077 163 F CA -0.879 56.719 58.000 -0.669 0.000 0.944 163 F CB 1.564 39.937 39.000 -1.044 0.000 1.175 163 F HN 0.139 nan 8.300 nan 0.000 0.468 164 K N 1.758 122.156 120.400 -0.003 0.000 2.244 164 K HA 0.585 4.905 4.320 0.000 0.000 0.260 164 K C -1.419 175.315 176.600 0.224 0.000 0.951 164 K CA -0.617 55.727 56.287 0.095 0.000 0.826 164 K CB 1.590 34.128 32.500 0.063 0.000 1.108 164 K HN 0.496 nan 8.250 nan 0.000 0.433 165 V N 5.842 125.944 119.914 0.313 0.000 2.381 165 V HA -0.012 4.108 4.120 0.000 0.000 0.257 165 V C 1.153 177.372 176.094 0.208 0.000 1.057 165 V CA -0.087 62.401 62.300 0.313 0.000 1.013 165 V CB 0.725 32.742 31.823 0.323 0.000 1.069 165 V HN 0.700 nan 8.190 nan 0.000 0.484 166 V N 3.373 123.410 119.914 0.204 0.000 2.446 166 V HA 0.079 4.199 4.120 0.000 0.000 0.244 166 V C 0.822 176.966 176.094 0.082 0.000 1.039 166 V CA 1.089 63.463 62.300 0.123 0.000 1.045 166 V CB -0.026 31.855 31.823 0.097 0.000 0.681 166 V HN 0.844 nan 8.190 nan 0.000 0.459 167 E N -1.142 119.133 120.200 0.125 0.000 2.393 167 E HA 0.580 4.931 4.350 0.000 0.000 0.273 167 E C -1.154 175.510 176.600 0.106 0.000 0.918 167 E CA -0.310 56.142 56.400 0.086 0.000 0.773 167 E CB 2.385 32.108 29.700 0.039 0.000 1.275 167 E HN 0.187 nan 8.360 nan 0.000 0.451 168 T N 2.402 116.996 114.554 0.066 0.000 2.971 168 T HA 0.201 4.551 4.350 0.000 0.000 0.304 168 T C -0.238 174.480 174.700 0.030 0.000 1.038 168 T CA -0.626 61.506 62.100 0.054 0.000 1.007 168 T CB 1.517 70.412 68.868 0.044 0.000 1.055 168 T HN 0.480 nan 8.240 nan 0.000 0.451 169 D N 1.491 121.911 120.400 0.033 0.000 2.162 169 D HA 0.092 4.732 4.640 0.000 0.000 0.203 169 D C -1.614 174.689 176.300 0.005 0.000 0.967 169 D CA 0.275 54.288 54.000 0.022 0.000 0.840 169 D CB -0.338 40.483 40.800 0.035 0.000 0.972 169 D HN 0.342 nan 8.370 nan 0.000 0.482 170 P HA 0.180 nan 4.420 nan 0.000 0.281 170 P C 0.506 177.763 177.300 -0.072 0.000 1.252 170 P CA -0.086 62.999 63.100 -0.026 0.000 0.778 170 P CB 1.701 33.395 31.700 -0.010 0.000 0.895 171 S N 4.902 120.541 115.700 -0.102 0.000 2.380 171 S HA -0.211 4.259 4.470 0.000 0.000 0.290 171 S C -0.540 173.972 174.600 -0.146 0.000 1.080 171 S CA 2.255 60.380 58.200 -0.124 0.000 1.468 171 S CB -1.891 61.233 63.200 -0.127 0.000 1.303 171 S HN 0.611 nan 8.310 nan 0.000 0.457 172 P HA 0.230 nan 4.420 nan 0.000 0.218 172 P C -0.354 176.877 177.300 -0.115 0.000 1.140 172 P CA 0.630 63.604 63.100 -0.210 0.000 0.883 172 P CB 0.124 31.666 31.700 -0.264 0.000 0.828 173 Y N -0.283 120.030 120.300 0.022 0.000 2.545 173 Y HA 0.701 5.251 4.550 0.000 0.000 0.348 173 Y C -0.246 175.657 175.900 0.005 0.000 1.002 173 Y CA -2.110 56.001 58.100 0.018 0.000 1.039 173 Y CB 0.639 39.108 38.460 0.015 0.000 1.271 173 Y HN 0.130 nan 8.280 nan 0.000 0.467 174 C N 0.619 120.037 119.300 0.197 0.000 3.288 174 C HA 0.809 5.270 4.460 0.000 0.000 0.318 174 C C -0.939 174.092 174.990 0.068 0.000 1.356 174 C CA -1.270 57.809 59.018 0.102 0.000 1.359 174 C CB 0.857 28.629 27.740 0.054 0.000 1.688 174 C HN 0.966 nan 8.230 nan 0.000 0.467 175 I N 2.021 122.596 120.570 0.009 0.000 2.365 175 I HA 0.353 4.523 4.170 0.000 0.000 0.291 175 I C -0.008 176.160 176.117 0.085 0.000 1.004 175 I CA -0.374 60.936 61.300 0.018 0.000 1.311 175 I CB 1.661 39.588 38.000 -0.121 0.000 1.401 175 I HN 0.559 nan 8.210 nan 0.000 0.491 176 V N 7.196 127.146 119.914 0.061 0.000 2.313 176 V HA 0.304 4.425 4.120 0.000 0.000 0.252 176 V C 0.814 176.909 176.094 0.001 0.000 1.112 176 V CA -0.339 61.934 62.300 -0.045 0.000 0.984 176 V CB -0.044 31.583 31.823 -0.326 0.000 1.157 176 V HN 0.832 nan 8.190 nan 0.000 0.493 177 A N 7.555 130.430 122.820 0.092 0.000 2.257 177 A HA 0.672 4.992 4.320 0.000 0.000 0.289 177 A C -0.752 176.761 177.584 -0.118 0.000 1.095 177 A CA -1.444 50.595 52.037 0.003 0.000 0.836 177 A CB 0.204 19.383 19.000 0.297 0.000 1.111 177 A HN 0.560 nan 8.150 nan 0.000 0.497 178 P HA -0.195 nan 4.420 nan 0.000 0.217 178 P C 0.291 177.559 177.300 -0.053 0.000 1.148 178 P CA 1.874 64.913 63.100 -0.102 0.000 0.834 178 P CB -0.073 31.571 31.700 -0.094 0.000 0.783 179 D N -1.084 119.292 120.400 -0.041 0.000 2.149 179 D HA -0.086 4.554 4.640 0.000 0.000 0.198 179 D C 0.335 176.615 176.300 -0.034 0.000 0.990 179 D CA 1.011 54.993 54.000 -0.030 0.000 0.839 179 D CB -0.866 39.922 40.800 -0.019 0.000 0.948 179 D HN 0.175 nan 8.370 nan 0.000 0.460 180 T N 1.430 115.961 114.554 -0.038 0.000 2.784 180 T HA 0.202 4.552 4.350 0.000 0.000 0.291 180 T C 0.202 174.833 174.700 -0.116 0.000 0.942 180 T CA -0.380 61.681 62.100 -0.065 0.000 1.161 180 T CB 0.924 69.740 68.868 -0.087 0.000 0.885 180 T HN -0.188 nan 8.240 nan 0.000 0.534 181 V N 5.689 125.522 119.914 -0.135 0.000 2.455 181 V HA 0.239 4.359 4.120 0.000 0.000 0.273 181 V C 0.480 176.373 176.094 -0.334 0.000 1.045 181 V CA -0.499 61.648 62.300 -0.255 0.000 0.976 181 V CB 0.021 31.686 31.823 -0.264 0.000 0.993 181 V HN 0.752 nan 8.190 nan 0.000 0.475 182 I N 5.614 125.944 120.570 -0.401 0.000 2.307 182 I HA 0.332 4.502 4.170 0.000 0.000 0.289 182 I C 0.199 176.039 176.117 -0.463 0.000 1.021 182 I CA -0.144 60.968 61.300 -0.312 0.000 1.224 182 I CB 0.293 38.258 38.000 -0.059 0.000 1.376 182 I HN 0.584 nan 8.210 nan 0.000 0.470 183 H N 5.467 124.414 119.070 -0.205 0.000 2.473 183 H HA 0.361 4.917 4.556 0.000 0.000 0.327 183 H C -0.349 174.768 175.328 -0.351 0.000 1.105 183 H CA -0.617 55.263 56.048 -0.280 0.000 1.280 183 H CB 1.832 31.431 29.762 -0.271 0.000 1.450 183 H HN 0.713 nan 8.280 nan 0.000 0.492 184 C N 1.731 120.934 119.300 -0.160 0.000 3.465 184 C HA 0.352 4.812 4.460 0.000 0.000 0.193 184 C C 1.203 176.147 174.990 -0.077 0.000 1.515 184 C CA -0.850 58.081 59.018 -0.145 0.000 1.340 184 C CB -1.008 26.744 27.740 0.021 0.000 1.928 184 C HN 0.806 nan 8.230 nan 0.000 0.510 185 E N 2.262 122.372 120.200 -0.149 0.000 2.008 185 E HA 0.165 4.515 4.350 0.000 0.000 0.191 185 E C 1.803 178.452 176.600 0.082 0.000 0.986 185 E CA 1.272 57.680 56.400 0.013 0.000 0.807 185 E CB -0.033 29.702 29.700 0.058 0.000 0.766 185 E HN 0.815 nan 8.360 nan 0.000 0.450 186 G N 0.763 109.664 108.800 0.169 0.000 2.529 186 G HA2 -0.024 3.936 3.960 0.000 0.000 0.277 186 G HA3 -0.024 3.936 3.960 0.000 0.000 0.277 186 G C -0.373 174.580 174.900 0.090 0.000 1.383 186 G CA -0.509 44.671 45.100 0.134 0.000 1.050 186 G HN 0.079 nan 8.290 nan 0.000 0.526 187 E N 0.538 120.776 120.200 0.064 0.000 2.383 187 E HA 0.189 4.540 4.350 0.000 0.000 0.264 187 E C -2.144 174.477 176.600 0.034 0.000 1.050 187 E CA -1.115 55.308 56.400 0.038 0.000 0.896 187 E CB 0.492 30.205 29.700 0.022 0.000 0.982 187 E HN 0.130 nan 8.360 nan 0.000 0.424 188 P HA -0.002 nan 4.420 nan 0.000 0.267 188 P C -0.485 176.805 177.300 -0.017 0.000 1.209 188 P CA -0.016 63.077 63.100 -0.011 0.000 0.763 188 P CB 0.317 31.994 31.700 -0.038 0.000 0.816 189 I N 3.579 124.139 120.570 -0.017 0.000 2.668 189 I HA -0.044 4.126 4.170 0.000 0.000 0.285 189 I C 1.173 177.265 176.117 -0.042 0.000 1.168 189 I CA 0.371 61.659 61.300 -0.021 0.000 1.424 189 I CB -0.290 37.703 38.000 -0.012 0.000 1.377 189 I HN 0.327 nan 8.210 nan 0.000 0.560 190 K N 5.601 125.981 120.400 -0.034 0.000 2.382 190 K HA -0.001 4.319 4.320 0.000 0.000 0.275 190 K C 1.157 177.729 176.600 -0.046 0.000 1.009 190 K CA -0.212 56.051 56.287 -0.040 0.000 0.970 190 K CB 1.049 33.531 32.500 -0.031 0.000 0.934 190 K HN 0.376 nan 8.250 nan 0.000 0.479 191 R N 2.841 123.310 120.500 -0.053 0.000 2.080 191 R HA -0.204 4.136 4.340 0.000 0.000 0.236 191 R C 1.200 177.473 176.300 -0.044 0.000 1.137 191 R CA 2.051 58.118 56.100 -0.055 0.000 0.943 191 R CB -0.032 30.234 30.300 -0.056 0.000 0.846 191 R HN 0.696 nan 8.270 nan 0.000 0.431 192 E N -0.125 120.052 120.200 -0.038 0.000 2.160 192 E HA -0.197 4.153 4.350 0.000 0.000 0.195 192 E C 1.481 178.061 176.600 -0.033 0.000 0.991 192 E CA 1.459 57.839 56.400 -0.034 0.000 0.810 192 E CB -0.119 29.563 29.700 -0.030 0.000 0.742 192 E HN 0.477 nan 8.360 nan 0.000 0.466 193 D N 0.614 120.995 120.400 -0.033 0.000 2.097 193 D HA -0.142 4.498 4.640 0.000 0.000 0.195 193 D C 1.821 178.101 176.300 -0.032 0.000 0.989 193 D CA 0.918 54.899 54.000 -0.031 0.000 0.827 193 D CB -0.100 40.683 40.800 -0.027 0.000 0.966 193 D HN 0.056 nan 8.370 nan 0.000 0.456 194 E N 0.434 120.614 120.200 -0.034 0.000 2.216 194 E HA -0.081 4.269 4.350 0.000 0.000 0.192 194 E C 1.841 178.420 176.600 -0.035 0.000 0.988 194 E CA 0.501 56.881 56.400 -0.033 0.000 0.834 194 E CB 0.083 29.761 29.700 -0.037 0.000 0.772 194 E HN 0.376 nan 8.360 nan 0.000 0.479 195 E N 0.482 120.660 120.200 -0.037 0.000 2.158 195 E HA -0.113 4.238 4.350 0.000 0.000 0.191 195 E C 1.675 178.253 176.600 -0.038 0.000 0.982 195 E CA 0.396 56.774 56.400 -0.036 0.000 0.823 195 E CB 0.002 29.681 29.700 -0.036 0.000 0.766 195 E HN 0.365 nan 8.360 nan 0.000 0.468 196 E N 0.371 120.548 120.200 -0.038 0.000 2.427 196 E HA -0.034 4.316 4.350 0.000 0.000 0.196 196 E C 1.835 178.407 176.600 -0.047 0.000 1.028 196 E CA 0.231 56.606 56.400 -0.042 0.000 0.864 196 E CB 0.208 29.884 29.700 -0.039 0.000 0.813 196 E HN -0.037 nan 8.360 nan 0.000 0.514 197 S N -0.417 115.257 115.700 -0.043 0.000 2.421 197 S HA 0.051 4.521 4.470 0.000 0.000 0.224 197 S C 1.742 176.314 174.600 -0.046 0.000 1.035 197 S CA 0.119 58.292 58.200 -0.044 0.000 0.953 197 S CB 0.095 63.275 63.200 -0.033 0.000 0.810 197 S HN 0.238 nan 8.310 nan 0.000 0.497 198 L N 1.867 123.066 121.223 -0.041 0.000 2.093 198 L HA -0.045 4.295 4.340 0.000 0.000 0.208 198 L C 2.177 179.016 176.870 -0.051 0.000 1.085 198 L CA 0.875 55.690 54.840 -0.041 0.000 0.755 198 L CB -0.492 41.547 42.059 -0.034 0.000 0.904 198 L HN 0.254 nan 8.230 nan 0.000 0.435 199 N N 0.298 118.966 118.700 -0.053 0.000 2.192 199 N HA -0.167 4.573 4.740 0.000 0.000 0.188 199 N C 0.269 175.733 175.510 -0.077 0.000 1.013 199 N CA 0.644 53.657 53.050 -0.062 0.000 0.863 199 N CB -0.230 38.223 38.487 -0.056 0.000 0.990 199 N HN 0.358 nan 8.380 nan 0.000 0.430 200 E N 0.451 120.601 120.200 -0.082 0.000 2.608 200 E HA -0.066 4.285 4.350 0.000 0.000 0.259 200 E C -0.310 176.216 176.600 -0.122 0.000 0.951 200 E CA 0.140 56.476 56.400 -0.106 0.000 0.945 200 E CB 0.882 30.516 29.700 -0.110 0.000 0.916 200 E HN -0.062 nan 8.360 nan 0.000 0.477 201 V N 3.267 123.093 119.914 -0.145 0.000 2.508 201 V HA 0.296 4.416 4.120 0.000 0.000 0.281 201 V C 0.890 176.860 176.094 -0.206 0.000 1.041 201 V CA 0.147 62.354 62.300 -0.155 0.000 1.016 201 V CB 1.152 32.885 31.823 -0.150 0.000 0.984 201 V HN 0.764 nan 8.190 nan 0.000 0.478 202 G N 2.230 110.918 108.800 -0.186 0.000 2.788 202 G HA2 0.450 4.410 3.960 0.000 0.000 0.293 202 G HA3 0.450 4.410 3.960 0.000 0.000 0.293 202 G C -0.034 174.761 174.900 -0.176 0.000 1.305 202 G CA -0.563 44.381 45.100 -0.260 0.000 1.005 202 G HN 0.610 nan 8.290 nan 0.000 0.496 203 Y N -0.554 119.721 120.300 -0.043 0.000 2.384 203 Y HA -0.126 4.424 4.550 0.000 0.000 0.289 203 Y C 2.246 178.133 175.900 -0.022 0.000 1.152 203 Y CA 0.914 58.998 58.100 -0.027 0.000 1.258 203 Y CB 0.271 38.722 38.460 -0.014 0.000 0.979 203 Y HN 0.302 nan 8.280 nan 0.000 0.549 204 D N -0.257 120.203 120.400 0.101 0.000 2.264 204 D HA -0.128 4.512 4.640 0.000 0.000 0.208 204 D C 1.034 177.346 176.300 0.020 0.000 0.966 204 D CA 1.089 55.119 54.000 0.050 0.000 0.864 204 D CB -0.253 40.560 40.800 0.023 0.000 0.933 204 D HN 0.452 nan 8.370 nan 0.000 0.499 205 D N -0.058 120.342 120.400 0.001 0.000 2.328 205 D HA 0.058 4.698 4.640 0.000 0.000 0.221 205 D C 0.416 176.718 176.300 0.003 0.000 1.072 205 D CA -0.088 53.895 54.000 -0.028 0.000 0.850 205 D CB 0.913 41.672 40.800 -0.068 0.000 0.922 205 D HN 0.238 nan 8.370 nan 0.000 0.516 206 I N 0.318 120.914 120.570 0.043 0.000 2.389 206 I HA 0.464 4.634 4.170 0.000 0.000 0.288 206 I C -0.185 175.967 176.117 0.059 0.000 0.999 206 I CA -0.413 60.924 61.300 0.062 0.000 1.129 206 I CB 1.683 39.734 38.000 0.085 0.000 1.288 206 I HN -0.179 nan 8.210 nan 0.000 0.444 207 G N 4.102 112.937 108.800 0.058 0.000 2.417 207 G HA2 0.507 4.467 3.960 0.000 0.000 0.334 207 G HA3 0.507 4.467 3.960 0.000 0.000 0.334 207 G C 0.443 175.366 174.900 0.039 0.000 1.150 207 G CA -0.522 44.608 45.100 0.049 0.000 0.923 207 G HN 1.492 nan 8.290 nan 0.000 0.485 208 G N -1.168 107.649 108.800 0.029 0.000 2.341 208 G HA2 -0.249 3.711 3.960 0.000 0.000 0.292 208 G HA3 -0.249 3.711 3.960 0.000 0.000 0.292 208 G C 0.552 175.461 174.900 0.015 0.000 1.021 208 G CA 0.527 45.639 45.100 0.020 0.000 0.905 208 G HN 1.078 nan 8.290 nan 0.000 0.508 209 C N -0.833 118.476 119.300 0.014 0.000 3.486 209 C HA 0.317 4.777 4.460 0.000 0.000 0.264 209 C C 2.249 177.237 174.990 -0.004 0.000 1.756 209 C CA -0.236 58.787 59.018 0.008 0.000 1.764 209 C CB -0.492 27.260 27.740 0.020 0.000 3.238 209 C HN 0.701 nan 8.230 nan 0.000 0.524 210 R N 1.430 121.926 120.500 -0.007 0.000 2.096 210 R HA -0.195 4.145 4.340 0.000 0.000 0.240 210 R C 2.207 178.493 176.300 -0.023 0.000 1.139 210 R CA 1.537 57.626 56.100 -0.019 0.000 0.952 210 R CB -0.117 30.176 30.300 -0.012 0.000 0.854 210 R HN 0.477 nan 8.270 nan 0.000 0.436 211 K N 0.536 120.928 120.400 -0.013 0.000 2.103 211 K HA -0.231 4.090 4.320 0.000 0.000 0.207 211 K C 1.991 178.585 176.600 -0.010 0.000 1.048 211 K CA 1.735 58.016 56.287 -0.010 0.000 0.930 211 K CB 0.139 32.636 32.500 -0.004 0.000 0.716 211 K HN 0.143 nan 8.250 nan 0.000 0.444 212 Q N 0.188 119.981 119.800 -0.013 0.000 2.163 212 Q HA 0.021 4.362 4.340 0.000 0.000 0.198 212 Q C 1.988 177.982 176.000 -0.009 0.000 0.954 212 Q CA 0.736 56.535 55.803 -0.007 0.000 0.851 212 Q CB 0.089 28.821 28.738 -0.010 0.000 0.928 212 Q HN 0.239 nan 8.270 nan 0.000 0.459 213 L N 0.018 121.220 121.223 -0.035 0.000 2.093 213 L HA -0.147 4.193 4.340 0.000 0.000 0.208 213 L C 2.329 179.131 176.870 -0.114 0.000 1.085 213 L CA 0.982 55.762 54.840 -0.099 0.000 0.755 213 L CB -0.616 41.343 42.059 -0.166 0.000 0.904 213 L HN 0.236 nan 8.230 nan 0.000 0.435 214 A N -0.304 122.473 122.820 -0.072 0.000 1.883 214 A HA -0.273 4.047 4.320 0.000 0.000 0.217 214 A C 2.245 179.824 177.584 -0.009 0.000 1.186 214 A CA 1.723 53.733 52.037 -0.044 0.000 0.624 214 A CB -0.511 18.474 19.000 -0.025 0.000 0.822 214 A HN 0.469 nan 8.150 nan 0.000 0.444 215 Q N -0.732 119.072 119.800 0.006 0.000 2.084 215 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 215 Q C 2.052 178.081 176.000 0.047 0.000 0.978 215 Q CA 1.608 57.431 55.803 0.033 0.000 0.844 215 Q CB -0.329 28.431 28.738 0.035 0.000 0.898 215 Q HN 0.752 nan 8.270 nan 0.000 0.426 216 I N 0.646 121.240 120.570 0.040 0.000 2.252 216 I HA -0.276 3.895 4.170 0.000 0.000 0.245 216 I C 2.165 178.324 176.117 0.071 0.000 1.102 216 I CA 1.200 62.543 61.300 0.071 0.000 1.385 216 I CB -0.129 37.930 38.000 0.098 0.000 1.064 216 I HN 0.094 nan 8.210 nan 0.000 0.414 217 K N 0.421 120.838 120.400 0.028 0.000 2.148 217 K HA -0.162 4.158 4.320 0.000 0.000 0.204 217 K C 1.954 178.607 176.600 0.089 0.000 1.050 217 K CA 1.172 57.485 56.287 0.043 0.000 0.942 217 K CB -0.062 32.426 32.500 -0.019 0.000 0.724 217 K HN 0.395 nan 8.250 nan 0.000 0.446 218 E N 0.282 120.534 120.200 0.087 0.000 2.072 218 E HA -0.120 4.231 4.350 0.000 0.000 0.191 218 E C 1.896 178.594 176.600 0.164 0.000 0.985 218 E CA 1.197 57.678 56.400 0.136 0.000 0.801 218 E CB 0.066 29.832 29.700 0.109 0.000 0.750 218 E HN 0.252 nan 8.360 nan 0.000 0.452 219 M N -0.444 119.217 119.600 0.102 0.000 2.486 219 M HA -0.030 4.451 4.480 0.000 0.000 0.264 219 M C 1.754 178.067 176.300 0.021 0.000 1.125 219 M CA 0.530 55.863 55.300 0.055 0.000 1.144 219 M CB 0.815 33.446 32.600 0.051 0.000 1.353 219 M HN -0.021 nan 8.290 nan 0.000 0.466 220 V N -1.530 118.423 119.914 0.064 0.000 2.840 220 V HA 0.026 4.147 4.120 0.000 0.000 0.234 220 V C 1.874 178.020 176.094 0.086 0.000 1.159 220 V CA 0.892 63.235 62.300 0.072 0.000 1.194 220 V CB -0.324 31.573 31.823 0.123 0.000 0.971 220 V HN 0.186 nan 8.190 nan 0.000 0.494 221 E N 0.706 120.975 120.200 0.115 0.000 2.046 221 E HA -0.160 4.190 4.350 0.000 0.000 0.190 221 E C 1.957 178.636 176.600 0.132 0.000 0.982 221 E CA 1.199 57.672 56.400 0.122 0.000 0.800 221 E CB -0.388 29.391 29.700 0.133 0.000 0.756 221 E HN 0.321 nan 8.360 nan 0.000 0.449 222 L N 0.601 121.933 121.223 0.182 0.000 2.042 222 L HA -0.065 4.275 4.340 0.000 0.000 0.210 222 L C -1.111 175.973 176.870 0.357 0.000 1.076 222 L CA 1.871 56.889 54.840 0.297 0.000 0.749 222 L CB -1.081 41.184 42.059 0.344 0.000 0.893 222 L HN 0.175 nan 8.230 nan 0.000 0.432 223 P HA -0.063 nan 4.420 nan 0.000 0.225 223 P C 1.899 179.220 177.300 0.035 0.000 1.156 223 P CA 1.211 64.281 63.100 -0.050 0.000 0.787 223 P CB 0.101 31.487 31.700 -0.522 0.000 0.802 224 L N -1.309 119.936 121.223 0.037 0.000 2.162 224 L HA 0.043 4.383 4.340 0.000 0.000 0.205 224 L C 2.605 179.457 176.870 -0.030 0.000 1.086 224 L CA 0.917 55.770 54.840 0.021 0.000 0.778 224 L CB -0.381 41.701 42.059 0.038 0.000 0.928 224 L HN -0.168 nan 8.230 nan 0.000 0.446 225 R N -0.768 119.699 120.500 -0.055 0.000 2.100 225 R HA 0.049 4.389 4.340 0.000 0.000 0.220 225 R C 0.313 176.343 176.300 -0.451 0.000 1.091 225 R CA 0.828 56.773 56.100 -0.258 0.000 0.986 225 R CB 0.015 30.131 30.300 -0.307 0.000 0.888 225 R HN 0.392 nan 8.270 nan 0.000 0.444 226 H N 0.324 119.463 119.070 0.115 0.000 2.386 226 H HA 0.203 4.759 4.556 0.000 0.000 0.232 226 H C -1.789 173.668 175.328 0.214 0.000 1.416 226 H CA -1.787 54.339 56.048 0.131 0.000 1.285 226 H CB 1.147 30.979 29.762 0.117 0.000 1.625 226 H HN 0.051 nan 8.280 nan 0.000 0.521 227 P HA -0.112 nan 4.420 nan 0.000 0.222 227 P C 1.559 179.028 177.300 0.283 0.000 1.147 227 P CA 0.902 64.165 63.100 0.272 0.000 0.790 227 P CB 0.349 32.162 31.700 0.187 0.000 0.780 228 A N 0.382 123.328 122.820 0.209 0.000 1.917 228 A HA -0.183 4.137 4.320 0.000 0.000 0.219 228 A C 2.402 180.064 177.584 0.130 0.000 1.182 228 A CA 1.424 53.552 52.037 0.152 0.000 0.633 228 A CB -1.655 17.416 19.000 0.118 0.000 0.819 228 A HN 0.150 nan 8.150 nan 0.000 0.448 229 L N -2.040 119.257 121.223 0.122 0.000 1.989 229 L HA -0.221 4.119 4.340 0.000 0.000 0.211 229 L C 2.548 179.369 176.870 -0.082 0.000 1.071 229 L CA 1.835 56.649 54.840 -0.043 0.000 0.749 229 L CB -0.482 41.466 42.059 -0.185 0.000 0.890 229 L HN 0.470 nan 8.230 nan 0.000 0.431 230 F N -0.656 119.329 119.950 0.059 0.000 2.146 230 F HA -0.183 4.344 4.527 0.000 0.000 0.298 230 F C 2.602 178.431 175.800 0.047 0.000 1.096 230 F CA 1.051 59.082 58.000 0.051 0.000 1.275 230 F CB -0.370 38.664 39.000 0.057 0.000 1.008 230 F HN -0.108 nan 8.300 nan 0.000 0.480 231 K N 0.750 121.297 120.400 0.244 0.000 2.057 231 K HA -0.069 4.251 4.320 0.000 0.000 0.207 231 K C 2.213 178.869 176.600 0.094 0.000 1.049 231 K CA 1.255 57.632 56.287 0.149 0.000 0.931 231 K CB -0.693 31.888 32.500 0.136 0.000 0.714 231 K HN 0.238 nan 8.250 nan 0.000 0.440 232 A N 0.929 123.792 122.820 0.071 0.000 1.873 232 A HA -0.116 4.204 4.320 0.000 0.000 0.215 232 A C 2.297 179.893 177.584 0.020 0.000 1.186 232 A CA 1.322 53.380 52.037 0.035 0.000 0.616 232 A CB -0.520 18.490 19.000 0.017 0.000 0.823 232 A HN 0.331 nan 8.150 nan 0.000 0.442 233 I N -1.313 119.260 120.570 0.005 0.000 2.493 233 I HA 0.031 4.202 4.170 0.000 0.000 0.254 233 I C 1.329 177.461 176.117 0.025 0.000 1.160 233 I CA 1.346 62.642 61.300 -0.006 0.000 1.445 233 I CB 0.092 38.059 38.000 -0.054 0.000 1.086 233 I HN 0.515 nan 8.210 nan 0.000 0.433 234 G N 0.668 109.501 108.800 0.055 0.000 2.226 234 G HA2 -0.142 3.818 3.960 0.000 0.000 0.176 234 G HA3 -0.142 3.818 3.960 0.000 0.000 0.176 234 G C -0.408 174.544 174.900 0.087 0.000 1.042 234 G CA -0.066 45.072 45.100 0.064 0.000 0.732 234 G HN 0.216 nan 8.290 nan 0.000 0.494 235 V N 0.063 120.055 119.914 0.130 0.000 2.686 235 V HA 0.516 4.636 4.120 0.000 0.000 0.306 235 V C 0.293 176.506 176.094 0.199 0.000 1.065 235 V CA -1.098 61.303 62.300 0.169 0.000 0.894 235 V CB 1.987 33.927 31.823 0.195 0.000 1.004 235 V HN 0.351 nan 8.190 nan 0.000 0.424 236 K N 5.993 126.474 120.400 0.134 0.000 2.298 236 K HA 0.407 4.727 4.320 0.000 0.000 0.280 236 K C -2.381 174.219 176.600 -0.000 0.000 1.032 236 K CA -1.259 55.066 56.287 0.063 0.000 0.958 236 K CB 0.834 33.359 32.500 0.041 0.000 0.978 236 K HN 0.423 nan 8.250 nan 0.000 0.472 237 P HA 0.192 nan 4.420 nan 0.000 0.281 237 P C -2.622 174.527 177.300 -0.252 0.000 1.252 237 P CA -1.513 61.355 63.100 -0.387 0.000 0.778 237 P CB 0.300 31.632 31.700 -0.613 0.000 0.895 238 P HA 0.100 nan 4.420 nan 0.000 0.268 238 P C 0.783 177.960 177.300 -0.204 0.000 1.204 238 P CA -0.005 62.974 63.100 -0.201 0.000 0.768 238 P CB 0.438 32.058 31.700 -0.132 0.000 0.842 239 R N 1.769 122.131 120.500 -0.229 0.000 2.437 239 R HA 0.344 4.684 4.340 0.000 0.000 0.257 239 R C 0.132 176.280 176.300 -0.254 0.000 0.927 239 R CA -0.166 55.804 56.100 -0.217 0.000 1.078 239 R CB 0.331 30.505 30.300 -0.210 0.000 1.161 239 R HN 0.473 nan 8.270 nan 0.000 0.529 240 G N 2.165 110.808 108.800 -0.261 0.000 2.719 240 G HA2 0.515 4.475 3.960 0.000 0.000 0.284 240 G HA3 0.515 4.475 3.960 0.000 0.000 0.284 240 G C -1.033 173.879 174.900 0.018 0.000 1.488 240 G CA -0.518 44.390 45.100 -0.320 0.000 1.139 240 G HN 0.064 nan 8.290 nan 0.000 0.552 241 I N 2.495 123.181 120.570 0.192 0.000 2.465 241 I HA 0.507 4.677 4.170 0.000 0.000 0.291 241 I C -0.805 175.444 176.117 0.219 0.000 1.014 241 I CA -1.417 59.993 61.300 0.184 0.000 1.093 241 I CB 1.547 39.608 38.000 0.103 0.000 1.267 241 I HN 0.371 nan 8.210 nan 0.000 0.431 242 L N 7.176 128.497 121.223 0.164 0.000 2.325 242 L HA 0.552 4.892 4.340 0.000 0.000 0.281 242 L C -1.046 175.898 176.870 0.123 0.000 1.004 242 L CA -0.222 54.645 54.840 0.045 0.000 0.823 242 L CB 1.307 43.363 42.059 -0.005 0.000 1.236 242 L HN 0.412 nan 8.230 nan 0.000 0.415 243 L N 6.468 127.733 121.223 0.070 0.000 2.276 243 L HA 0.481 4.821 4.340 0.000 0.000 0.286 243 L C -0.777 176.181 176.870 0.146 0.000 1.061 243 L CA -0.723 54.177 54.840 0.099 0.000 0.807 243 L CB 0.570 42.701 42.059 0.119 0.000 1.177 243 L HN 0.699 nan 8.230 nan 0.000 0.429 244 Y N 0.982 121.292 120.300 0.016 0.000 2.605 244 Y HA 0.976 5.526 4.550 0.000 0.000 0.343 244 Y C -0.084 175.830 175.900 0.024 0.000 1.036 244 Y CA -0.971 57.135 58.100 0.010 0.000 1.065 244 Y CB 2.290 40.747 38.460 -0.005 0.000 1.288 244 Y HN 0.676 nan 8.280 nan 0.000 0.481 245 G N 0.877 109.733 108.800 0.093 0.000 2.347 245 G HA2 0.373 4.333 3.960 0.000 0.000 0.303 245 G HA3 0.373 4.333 3.960 0.000 0.000 0.303 245 G C -3.538 171.398 174.900 0.061 0.000 1.481 245 G CA -1.290 43.814 45.100 0.006 0.000 0.914 245 G HN 0.515 nan 8.290 nan 0.000 0.638 246 P HA 0.250 nan 4.420 nan 0.000 0.270 246 P C -2.395 174.923 177.300 0.028 0.000 1.227 246 P CA -0.599 62.523 63.100 0.037 0.000 0.788 246 P CB -0.095 31.619 31.700 0.023 0.000 0.926 247 P HA 0.043 nan 4.420 nan 0.000 0.265 247 P C 0.736 178.043 177.300 0.012 0.000 1.193 247 P CA 1.334 64.445 63.100 0.019 0.000 0.765 247 P CB -0.053 31.654 31.700 0.011 0.000 0.823 248 G N 2.182 110.992 108.800 0.017 0.000 2.176 248 G HA2 -0.280 3.681 3.960 0.000 0.000 0.252 248 G HA3 -0.280 3.681 3.960 0.000 0.000 0.252 248 G C 0.793 175.703 174.900 0.017 0.000 1.024 248 G CA 0.625 45.733 45.100 0.014 0.000 0.755 248 G HN 0.626 nan 8.290 nan 0.000 0.507 249 T N -3.520 111.046 114.554 0.020 0.000 3.051 249 T HA 0.453 4.803 4.350 0.000 0.000 0.255 249 T C 1.974 176.690 174.700 0.027 0.000 1.085 249 T CA 1.472 63.583 62.100 0.019 0.000 1.109 249 T CB 0.596 69.467 68.868 0.006 0.000 0.921 249 T HN 2.089 nan 8.240 nan 0.000 0.488 250 G N 1.064 109.884 108.800 0.034 0.000 2.148 250 G HA2 -0.130 3.830 3.960 0.000 0.000 0.120 250 G HA3 -0.130 3.830 3.960 0.000 0.000 0.120 250 G C 0.593 175.520 174.900 0.045 0.000 1.034 250 G CA 0.074 45.197 45.100 0.039 0.000 0.710 250 G HN 0.454 nan 8.290 nan 0.000 0.495 251 K N -0.101 120.334 120.400 0.059 0.000 2.002 251 K HA -0.032 4.288 4.320 0.000 0.000 0.209 251 K C 2.528 179.173 176.600 0.075 0.000 1.048 251 K CA 1.917 58.266 56.287 0.103 0.000 0.930 251 K CB -0.308 32.271 32.500 0.132 0.000 0.714 251 K HN 0.247 nan 8.250 nan 0.000 0.438 252 T N 2.086 116.660 114.554 0.034 0.000 2.788 252 T HA -0.121 4.229 4.350 0.000 0.000 0.268 252 T C 1.817 176.454 174.700 -0.106 0.000 1.044 252 T CA 0.936 63.006 62.100 -0.050 0.000 1.139 252 T CB -0.214 68.645 68.868 -0.015 0.000 0.867 252 T HN 0.073 nan 8.240 nan 0.000 0.454 253 L N 0.821 122.014 121.223 -0.050 0.000 2.042 253 L HA -0.005 4.335 4.340 0.000 0.000 0.210 253 L C 2.166 178.992 176.870 -0.074 0.000 1.076 253 L CA 1.537 56.343 54.840 -0.056 0.000 0.749 253 L CB -0.459 41.595 42.059 -0.007 0.000 0.893 253 L HN 0.247 nan 8.230 nan 0.000 0.432 254 I N -0.664 119.891 120.570 -0.025 0.000 2.179 254 I HA -0.326 3.844 4.170 0.000 0.000 0.242 254 I C 2.625 178.686 176.117 -0.094 0.000 1.088 254 I CA 1.194 62.503 61.300 0.014 0.000 1.357 254 I CB -0.655 37.410 38.000 0.108 0.000 1.051 254 I HN 0.365 nan 8.210 nan 0.000 0.409 255 A N 0.874 123.536 122.820 -0.262 0.000 1.892 255 A HA -0.238 4.082 4.320 0.000 0.000 0.218 255 A C 2.354 179.638 177.584 -0.501 0.000 1.188 255 A CA 1.668 53.316 52.037 -0.649 0.000 0.631 255 A CB -0.497 17.753 19.000 -1.249 0.000 0.822 255 A HN 0.274 nan 8.150 nan 0.000 0.447 256 R N -0.498 119.774 120.500 -0.380 0.000 2.092 256 R HA 0.005 4.345 4.340 0.000 0.000 0.231 256 R C 2.409 178.464 176.300 -0.407 0.000 1.119 256 R CA 1.339 57.215 56.100 -0.373 0.000 0.970 256 R CB -1.258 28.895 30.300 -0.246 0.000 0.864 256 R HN 0.550 nan 8.270 nan 0.000 0.440 257 A N 0.855 123.470 122.820 -0.340 0.000 1.873 257 A HA -0.097 4.224 4.320 0.000 0.000 0.215 257 A C 2.500 179.740 177.584 -0.574 0.000 1.186 257 A CA 1.516 53.292 52.037 -0.434 0.000 0.616 257 A CB -0.688 18.100 19.000 -0.353 0.000 0.823 257 A HN 0.072 nan 8.150 nan 0.000 0.442 258 V N 0.088 119.766 119.914 -0.394 0.000 2.255 258 V HA -0.308 3.812 4.120 0.000 0.000 0.247 258 V C 3.093 178.887 176.094 -0.501 0.000 1.051 258 V CA 2.106 64.254 62.300 -0.252 0.000 1.018 258 V CB -1.381 30.493 31.823 0.086 0.000 0.641 258 V HN 0.638 nan 8.190 nan 0.000 0.445 259 A N 0.333 122.517 122.820 -1.059 0.000 1.927 259 A HA -0.340 3.980 4.320 0.000 0.000 0.220 259 A C 1.972 179.168 177.584 -0.648 0.000 1.185 259 A CA 2.735 53.902 52.037 -1.451 0.000 0.639 259 A CB -0.897 17.161 19.000 -1.570 0.000 0.820 259 A HN 0.753 nan 8.150 nan 0.000 0.451 260 N N -1.287 117.111 118.700 -0.502 0.000 2.424 260 N HA -0.003 4.738 4.740 0.000 0.000 0.178 260 N C 1.253 176.598 175.510 -0.275 0.000 1.060 260 N CA 0.651 53.500 53.050 -0.335 0.000 0.901 260 N CB 0.139 38.449 38.487 -0.296 0.000 0.979 260 N HN 0.467 nan 8.380 nan 0.000 0.451 261 E N 0.300 120.301 120.200 -0.332 0.000 2.473 261 E HA 0.017 4.367 4.350 0.000 0.000 0.204 261 E C 0.344 176.898 176.600 -0.075 0.000 0.994 261 E CA 0.336 56.582 56.400 -0.257 0.000 0.945 261 E CB 0.656 30.015 29.700 -0.570 0.000 0.990 261 E HN 0.330 nan 8.360 nan 0.000 0.493 262 T N -2.584 111.937 114.554 -0.054 0.000 2.922 262 T HA 0.396 4.746 4.350 0.000 0.000 0.285 262 T C 1.294 176.026 174.700 0.053 0.000 1.005 262 T CA -0.229 61.901 62.100 0.051 0.000 1.061 262 T CB 1.890 70.822 68.868 0.108 0.000 1.007 262 T HN -0.035 nan 8.240 nan 0.000 0.502 263 G N 0.671 109.513 108.800 0.070 0.000 2.471 263 G HA2 0.303 4.263 3.960 0.000 0.000 0.219 263 G HA3 0.303 4.263 3.960 0.000 0.000 0.219 263 G C 0.731 175.686 174.900 0.092 0.000 1.125 263 G CA 0.196 45.335 45.100 0.065 0.000 0.775 263 G HN 1.198 nan 8.290 nan 0.000 0.548 264 A N -0.106 122.785 122.820 0.119 0.000 2.386 264 A HA 0.513 4.833 4.320 0.000 0.000 0.248 264 A C -0.296 177.428 177.584 0.234 0.000 1.082 264 A CA -0.705 51.433 52.037 0.168 0.000 0.789 264 A CB 0.198 19.300 19.000 0.170 0.000 1.025 264 A HN 0.362 nan 8.150 nan 0.000 0.490 265 F N 1.662 121.678 119.950 0.110 0.000 2.538 265 F HA 0.450 4.978 4.527 0.000 0.000 0.371 265 F C -0.549 175.381 175.800 0.217 0.000 1.087 265 F CA -0.218 57.867 58.000 0.141 0.000 1.250 265 F CB 0.120 39.181 39.000 0.101 0.000 1.110 265 F HN 0.426 nan 8.300 nan 0.000 0.570 266 F N 7.561 127.113 119.950 -0.663 0.000 2.469 266 F HA 0.523 5.050 4.527 0.000 0.000 0.332 266 F C -1.730 173.676 175.800 -0.658 0.000 1.103 266 F CA -0.961 56.761 58.000 -0.464 0.000 0.979 266 F CB 1.049 39.893 39.000 -0.261 0.000 1.137 266 F HN 0.408 nan 8.300 nan 0.000 0.463 267 F N 7.411 126.851 119.950 -0.849 0.000 2.539 267 F HA 0.491 5.018 4.527 0.000 0.000 0.328 267 F C -1.660 173.867 175.800 -0.455 0.000 1.148 267 F CA -0.956 56.732 58.000 -0.521 0.000 0.940 267 F CB 1.199 40.015 39.000 -0.306 0.000 1.194 267 F HN 0.367 nan 8.300 nan 0.000 0.438 268 L N 6.878 127.940 121.223 -0.268 0.000 2.312 268 L HA 0.630 4.970 4.340 0.000 0.000 0.281 268 L C -1.075 175.835 176.870 0.067 0.000 1.070 268 L CA -0.098 54.729 54.840 -0.022 0.000 0.805 268 L CB 0.829 42.925 42.059 0.062 0.000 1.174 268 L HN 0.505 nan 8.230 nan 0.000 0.434 269 I N 4.866 125.547 120.570 0.185 0.000 2.478 269 I HA 0.347 4.518 4.170 0.000 0.000 0.287 269 I C -0.788 175.428 176.117 0.165 0.000 1.042 269 I CA -0.633 60.786 61.300 0.198 0.000 1.067 269 I CB 1.537 39.677 38.000 0.234 0.000 1.233 269 I HN 0.531 nan 8.210 nan 0.000 0.431 270 N N 4.542 123.315 118.700 0.122 0.000 2.419 270 N HA 0.215 4.955 4.740 0.000 0.000 0.264 270 N C 1.032 176.596 175.510 0.090 0.000 1.031 270 N CA -0.031 53.082 53.050 0.105 0.000 0.951 270 N CB 2.115 40.645 38.487 0.072 0.000 1.101 270 N HN 0.843 nan 8.380 nan 0.000 0.488 271 G N 3.921 112.771 108.800 0.084 0.000 2.631 271 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 271 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 271 G C -0.937 173.994 174.900 0.052 0.000 1.214 271 G CA 1.001 46.138 45.100 0.062 0.000 0.785 271 G HN 0.488 nan 8.290 nan 0.000 0.596 272 P HA -0.030 nan 4.420 nan 0.000 0.218 272 P C 1.729 179.052 177.300 0.038 0.000 1.149 272 P CA 1.125 64.247 63.100 0.037 0.000 0.817 272 P CB 0.054 31.773 31.700 0.031 0.000 0.785 273 E N -0.374 119.854 120.200 0.045 0.000 2.153 273 E HA -0.146 4.205 4.350 0.000 0.000 0.194 273 E C 1.833 178.464 176.600 0.052 0.000 0.988 273 E CA 0.990 57.418 56.400 0.045 0.000 0.811 273 E CB -0.326 29.403 29.700 0.049 0.000 0.746 273 E HN 0.143 nan 8.360 nan 0.000 0.466 274 I N 0.591 121.197 120.570 0.061 0.000 2.277 274 I HA -0.196 3.974 4.170 0.000 0.000 0.243 274 I C 2.148 178.293 176.117 0.047 0.000 1.094 274 I CA 0.704 62.041 61.300 0.063 0.000 1.393 274 I CB -0.709 37.337 38.000 0.076 0.000 1.078 274 I HN 0.161 nan 8.210 nan 0.000 0.417 275 M N 0.697 120.322 119.600 0.041 0.000 2.632 275 M HA -0.059 4.421 4.480 0.000 0.000 0.256 275 M C 2.184 178.500 176.300 0.027 0.000 1.080 275 M CA 0.879 56.198 55.300 0.032 0.000 1.084 275 M CB -1.492 31.125 32.600 0.028 0.000 1.439 275 M HN 0.305 nan 8.290 nan 0.000 0.509 276 S N -1.173 114.544 115.700 0.028 0.000 2.528 276 S HA 0.090 4.560 4.470 0.000 0.000 0.219 276 S C 0.841 175.455 174.600 0.023 0.000 0.985 276 S CA -0.139 58.075 58.200 0.023 0.000 0.914 276 S CB 0.276 63.490 63.200 0.023 0.000 0.776 276 S HN 0.293 nan 8.310 nan 0.000 0.526 277 K N 0.941 121.357 120.400 0.028 0.000 2.098 277 K HA 0.486 4.806 4.320 0.000 0.000 0.257 277 K C -0.181 176.433 176.600 0.023 0.000 0.999 277 K CA -0.612 55.691 56.287 0.027 0.000 0.924 277 K CB 0.708 33.228 32.500 0.035 0.000 1.028 277 K HN 0.179 nan 8.250 nan 0.000 0.466 278 L N 1.921 123.156 121.223 0.021 0.000 2.516 278 L HA -0.057 4.283 4.340 0.000 0.000 0.288 278 L C 0.182 177.063 176.870 0.017 0.000 1.246 278 L CA -0.157 54.693 54.840 0.017 0.000 0.844 278 L CB 0.350 42.419 42.059 0.016 0.000 1.106 278 L HN 0.756 nan 8.230 nan 0.000 0.509 279 A N 2.785 125.613 122.820 0.014 0.000 2.561 279 A HA 0.370 4.690 4.320 0.000 0.000 0.251 279 A C 1.187 178.778 177.584 0.011 0.000 1.062 279 A CA 0.681 52.726 52.037 0.012 0.000 0.761 279 A CB -0.504 18.502 19.000 0.010 0.000 0.986 279 A HN 1.142 nan 8.150 nan 0.000 0.510 280 G N 1.461 110.267 108.800 0.011 0.000 2.527 280 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 280 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 280 G C 1.166 176.074 174.900 0.014 0.000 1.177 280 G CA 0.687 45.792 45.100 0.009 0.000 0.695 280 G HN 0.789 nan 8.290 nan 0.000 0.517 281 E N 1.343 121.554 120.200 0.018 0.000 2.204 281 E HA -0.108 4.243 4.350 0.000 0.000 0.195 281 E C 2.671 179.291 176.600 0.033 0.000 0.990 281 E CA 1.907 58.322 56.400 0.025 0.000 0.821 281 E CB -0.127 29.588 29.700 0.025 0.000 0.750 281 E HN 0.724 nan 8.360 nan 0.000 0.477 282 S N 0.314 116.033 115.700 0.031 0.000 2.357 282 S HA -0.124 4.346 4.470 0.000 0.000 0.221 282 S C 1.796 176.417 174.600 0.036 0.000 1.031 282 S CA 0.876 59.099 58.200 0.038 0.000 0.982 282 S CB -0.274 62.947 63.200 0.035 0.000 0.853 282 S HN 0.171 nan 8.310 nan 0.000 0.458 283 E N 1.634 121.846 120.200 0.020 0.000 2.118 283 E HA -0.099 4.251 4.350 0.000 0.000 0.195 283 E C 2.241 178.846 176.600 0.008 0.000 0.992 283 E CA 1.166 57.570 56.400 0.006 0.000 0.804 283 E CB -0.334 29.362 29.700 -0.007 0.000 0.741 283 E HN 0.591 nan 8.360 nan 0.000 0.458 284 S N 0.225 115.936 115.700 0.018 0.000 2.368 284 S HA -0.173 4.297 4.470 0.000 0.000 0.224 284 S C 1.631 176.257 174.600 0.043 0.000 1.029 284 S CA 1.666 59.880 58.200 0.024 0.000 0.988 284 S CB -0.295 62.920 63.200 0.026 0.000 0.838 284 S HN 0.296 nan 8.310 nan 0.000 0.462 285 N N 0.655 119.393 118.700 0.063 0.000 2.188 285 N HA 0.043 4.784 4.740 0.000 0.000 0.184 285 N C 1.832 177.410 175.510 0.113 0.000 1.018 285 N CA 1.113 54.222 53.050 0.099 0.000 0.858 285 N CB -0.205 38.350 38.487 0.114 0.000 0.989 285 N HN 0.314 nan 8.380 nan 0.000 0.426 286 L N 1.034 122.313 121.223 0.092 0.000 2.017 286 L HA -0.148 4.192 4.340 0.000 0.000 0.208 286 L C 2.482 179.413 176.870 0.102 0.000 1.073 286 L CA 1.276 56.182 54.840 0.109 0.000 0.745 286 L CB -0.169 41.915 42.059 0.042 0.000 0.894 286 L HN 0.205 nan 8.230 nan 0.000 0.432 287 R N -0.360 120.155 120.500 0.025 0.000 2.073 287 R HA -0.209 4.131 4.340 0.000 0.000 0.234 287 R C 2.272 178.595 176.300 0.038 0.000 1.134 287 R CA 1.259 57.363 56.100 0.006 0.000 0.952 287 R CB -0.248 30.040 30.300 -0.019 0.000 0.850 287 R HN 0.058 nan 8.270 nan 0.000 0.433 288 K N 0.919 121.337 120.400 0.030 0.000 2.152 288 K HA -0.089 4.231 4.320 0.000 0.000 0.206 288 K C 1.757 178.291 176.600 -0.110 0.000 1.048 288 K CA 1.538 57.832 56.287 0.011 0.000 0.933 288 K CB -0.269 32.270 32.500 0.065 0.000 0.721 288 K HN 0.190 nan 8.250 nan 0.000 0.447 289 A N -0.584 122.134 122.820 -0.170 0.000 1.873 289 A HA -0.054 4.266 4.320 0.000 0.000 0.215 289 A C 2.051 179.311 177.584 -0.539 0.000 1.186 289 A CA 1.296 52.917 52.037 -0.693 0.000 0.616 289 A CB -0.738 18.064 19.000 -0.330 0.000 0.823 289 A HN 0.294 nan 8.150 nan 0.000 0.442 290 F N 0.207 119.975 119.950 -0.302 0.000 2.128 290 F HA -0.054 4.473 4.527 0.000 0.000 0.295 290 F C 2.429 178.132 175.800 -0.162 0.000 1.100 290 F CA 1.687 59.569 58.000 -0.197 0.000 1.260 290 F CB -0.528 38.397 39.000 -0.124 0.000 1.009 290 F HN 0.286 nan 8.300 nan 0.000 0.476 291 E N -0.203 120.024 120.200 0.045 0.000 2.085 291 E HA -0.280 4.070 4.350 0.000 0.000 0.194 291 E C 2.025 178.585 176.600 -0.067 0.000 0.994 291 E CA 1.616 58.010 56.400 -0.011 0.000 0.801 291 E CB -0.178 29.517 29.700 -0.007 0.000 0.743 291 E HN 0.302 nan 8.360 nan 0.000 0.453 292 E N 0.519 120.646 120.200 -0.122 0.000 2.051 292 E HA -0.155 4.195 4.350 0.000 0.000 0.192 292 E C 1.888 178.410 176.600 -0.130 0.000 0.991 292 E CA 1.341 57.671 56.400 -0.117 0.000 0.799 292 E CB -0.201 29.449 29.700 -0.082 0.000 0.748 292 E HN 0.254 nan 8.360 nan 0.000 0.449 293 A N 0.470 123.222 122.820 -0.113 0.000 1.902 293 A HA -0.231 4.089 4.320 0.000 0.000 0.217 293 A C 2.110 179.662 177.584 -0.053 0.000 1.181 293 A CA 1.831 53.875 52.037 0.012 0.000 0.623 293 A CB -0.654 18.274 19.000 -0.119 0.000 0.818 293 A HN 0.329 nan 8.150 nan 0.000 0.443 294 E N -0.607 119.549 120.200 -0.073 0.000 2.085 294 E HA -0.204 4.146 4.350 0.000 0.000 0.194 294 E C 2.115 178.675 176.600 -0.067 0.000 0.994 294 E CA 1.396 57.768 56.400 -0.046 0.000 0.801 294 E CB -0.069 29.619 29.700 -0.021 0.000 0.743 294 E HN 0.582 nan 8.360 nan 0.000 0.453 295 K N 0.483 120.819 120.400 -0.107 0.000 2.097 295 K HA -0.066 4.254 4.320 0.000 0.000 0.205 295 K C -0.143 176.347 176.600 -0.182 0.000 1.050 295 K CA 0.744 56.956 56.287 -0.124 0.000 0.938 295 K CB 0.062 32.486 32.500 -0.126 0.000 0.718 295 K HN 0.024 nan 8.250 nan 0.000 0.442 296 N N 0.378 118.893 118.700 -0.309 0.000 2.527 296 N HA 0.276 5.016 4.740 0.000 0.000 0.236 296 N C -0.936 174.438 175.510 -0.226 0.000 0.999 296 N CA 0.199 52.980 53.050 -0.448 0.000 0.935 296 N CB 1.517 39.273 38.487 -1.219 0.000 1.132 296 N HN 0.320 nan 8.380 nan 0.000 0.511 297 A N 3.149 125.904 122.820 -0.109 0.000 6.500 297 A HA -0.166 4.154 4.320 0.000 0.000 0.250 297 A C -2.259 175.340 177.584 0.025 0.000 2.143 297 A CA -0.665 51.357 52.037 -0.025 0.000 0.705 297 A CB -1.800 17.212 19.000 0.019 0.000 1.015 297 A HN 0.464 nan 8.150 nan 0.000 0.374 298 P HA 0.424 nan 4.420 nan 0.000 0.262 298 P C -0.211 177.169 177.300 0.134 0.000 1.182 298 P CA 1.290 64.429 63.100 0.066 0.000 0.761 298 P CB 0.372 32.081 31.700 0.016 0.000 0.795 299 A N 3.785 126.690 122.820 0.142 0.000 2.498 299 A HA 0.758 5.078 4.320 0.000 0.000 0.298 299 A C -0.875 176.765 177.584 0.093 0.000 1.075 299 A CA -0.740 51.422 52.037 0.209 0.000 0.714 299 A CB 1.221 20.410 19.000 0.315 0.000 1.299 299 A HN 0.413 nan 8.150 nan 0.000 0.407 300 I N 1.610 122.212 120.570 0.054 0.000 2.406 300 I HA 0.396 4.566 4.170 0.000 0.000 0.290 300 I C -0.803 175.144 176.117 -0.284 0.000 0.999 300 I CA -0.278 60.981 61.300 -0.070 0.000 1.124 300 I CB 1.717 39.750 38.000 0.056 0.000 1.289 300 I HN 0.463 nan 8.210 nan 0.000 0.441 301 I N 5.964 126.370 120.570 -0.274 0.000 2.321 301 I HA 0.286 4.456 4.170 0.000 0.000 0.291 301 I C -0.813 175.165 176.117 -0.233 0.000 0.998 301 I CA -0.368 60.744 61.300 -0.313 0.000 1.227 301 I CB 1.127 38.862 38.000 -0.440 0.000 1.368 301 I HN 0.432 nan 8.210 nan 0.000 0.466 302 F N 7.556 127.267 119.950 -0.398 0.000 2.388 302 F HA 0.520 5.047 4.527 0.000 0.000 0.358 302 F C -0.094 175.684 175.800 -0.038 0.000 1.122 302 F CA -0.539 57.349 58.000 -0.188 0.000 1.056 302 F CB 0.874 39.774 39.000 -0.167 0.000 1.155 302 F HN 0.258 nan 8.300 nan 0.000 0.461 303 I N 5.317 125.822 120.570 -0.110 0.000 2.310 303 I HA 0.149 4.319 4.170 0.000 0.000 0.287 303 I C -0.498 175.639 176.117 0.034 0.000 1.073 303 I CA -0.448 60.865 61.300 0.021 0.000 1.216 303 I CB 0.394 38.397 38.000 0.006 0.000 1.415 303 I HN 0.439 nan 8.210 nan 0.000 0.480 304 D N 6.462 127.038 120.400 0.293 0.000 2.264 304 D HA 0.127 4.768 4.640 0.000 0.000 0.250 304 D C 0.135 176.523 176.300 0.148 0.000 1.113 304 D CA 0.244 54.441 54.000 0.327 0.000 0.871 304 D CB 0.697 41.704 40.800 0.344 0.000 1.167 304 D HN 0.508 nan 8.370 nan 0.000 0.447 305 E N 1.551 121.815 120.200 0.107 0.000 2.287 305 E HA -0.237 4.113 4.350 0.000 0.000 0.229 305 E C 0.775 177.384 176.600 0.014 0.000 1.194 305 E CA -0.184 56.248 56.400 0.053 0.000 0.704 305 E CB -0.975 28.759 29.700 0.056 0.000 1.216 305 E HN 0.393 nan 8.360 nan 0.000 0.381 306 L N 1.810 123.011 121.223 -0.037 0.000 2.081 306 L HA -0.231 4.109 4.340 0.000 0.000 0.212 306 L C 2.225 179.063 176.870 -0.052 0.000 1.080 306 L CA 2.762 57.552 54.840 -0.083 0.000 0.754 306 L CB -0.343 41.581 42.059 -0.225 0.000 0.893 306 L HN 0.497 nan 8.230 nan 0.000 0.433 307 D N -0.782 119.593 120.400 -0.042 0.000 2.271 307 D HA -0.249 4.392 4.640 0.000 0.000 0.207 307 D C 1.790 178.088 176.300 -0.004 0.000 0.983 307 D CA 1.243 55.229 54.000 -0.023 0.000 0.878 307 D CB -0.144 40.647 40.800 -0.015 0.000 0.920 307 D HN 0.516 nan 8.370 nan 0.000 0.479 308 A N 1.345 124.168 122.820 0.005 0.000 1.968 308 A HA 0.018 4.338 4.320 0.000 0.000 0.217 308 A C 2.458 180.053 177.584 0.018 0.000 1.169 308 A CA 1.306 53.352 52.037 0.015 0.000 0.638 308 A CB -0.586 18.428 19.000 0.023 0.000 0.812 308 A HN 0.492 nan 8.150 nan 0.000 0.446 309 I N -5.244 115.336 120.570 0.017 0.000 3.708 309 I HA 0.493 4.663 4.170 0.000 0.000 0.302 309 I C 1.140 177.267 176.117 0.016 0.000 1.255 309 I CA 0.732 62.045 61.300 0.023 0.000 1.362 309 I CB 0.562 38.584 38.000 0.037 0.000 1.100 309 I HN 0.097 nan 8.210 nan 0.000 0.434 310 A N 2.851 125.674 122.820 0.005 0.000 3.201 310 A HA 0.634 4.954 4.320 0.000 0.000 0.312 310 A C -2.676 174.906 177.584 -0.003 0.000 1.011 310 A CA -1.247 50.792 52.037 0.004 0.000 0.987 310 A CB -0.658 18.346 19.000 0.006 0.000 1.060 310 A HN 0.156 nan 8.150 nan 0.000 0.505 311 P HA 0.220 nan 4.420 nan 0.000 0.277 311 P C -0.591 176.711 177.300 0.003 0.000 1.271 311 P CA -0.509 62.593 63.100 0.003 0.000 0.795 311 P CB 0.554 32.261 31.700 0.012 0.000 1.101 312 K N 1.183 121.583 120.400 0.001 0.000 2.361 312 K HA 0.012 4.332 4.320 0.000 0.000 0.283 312 K C 1.538 178.136 176.600 -0.003 0.000 1.078 312 K CA 0.330 56.616 56.287 -0.002 0.000 1.041 312 K CB -0.043 32.454 32.500 -0.005 0.000 0.932 312 K HN 0.297 nan 8.250 nan 0.000 0.462 313 R N 2.222 122.720 120.500 -0.003 0.000 2.178 313 R HA -0.275 4.065 4.340 0.000 0.000 0.257 313 R C 1.976 178.266 176.300 -0.017 0.000 1.163 313 R CA 2.257 58.352 56.100 -0.007 0.000 0.981 313 R CB -0.167 30.128 30.300 -0.007 0.000 0.878 313 R HN 0.747 nan 8.270 nan 0.000 0.454 314 E N 0.856 121.045 120.200 -0.018 0.000 2.118 314 E HA -0.214 4.137 4.350 0.000 0.000 0.195 314 E C 0.711 177.287 176.600 -0.040 0.000 0.992 314 E CA 1.222 57.606 56.400 -0.027 0.000 0.804 314 E CB -0.056 29.632 29.700 -0.021 0.000 0.741 314 E HN 0.091 nan 8.360 nan 0.000 0.458 315 K N 0.793 121.176 120.400 -0.028 0.000 2.682 315 K HA 0.182 4.502 4.320 0.000 0.000 0.189 315 K C -1.512 175.088 176.600 0.001 0.000 1.062 315 K CA -0.138 56.132 56.287 -0.028 0.000 0.997 315 K CB 1.342 33.837 32.500 -0.007 0.000 1.405 315 K HN 0.023 nan 8.250 nan 0.000 0.588 316 T N 0.042 114.585 114.554 -0.019 0.000 3.295 316 T HA 0.194 4.545 4.350 0.000 0.000 0.331 316 T C 0.401 175.118 174.700 0.029 0.000 1.142 316 T CA -0.637 61.490 62.100 0.046 0.000 1.078 316 T CB 0.721 69.613 68.868 0.040 0.000 1.150 316 T HN 0.500 nan 8.240 nan 0.000 0.465 317 H N 2.790 121.860 119.070 -0.000 0.000 2.307 317 H HA 0.144 4.700 4.556 -0.000 0.000 0.303 317 H C 1.532 176.860 175.328 -0.000 0.000 1.073 317 H CA 0.878 56.926 56.048 -0.000 0.000 1.338 317 H CB 0.007 29.770 29.762 0.000 0.000 1.389 317 H HN 0.704 nan 8.280 nan 0.000 0.503 318 G N 0.477 109.354 108.800 0.127 0.000 2.467 318 G HA2 0.018 3.979 3.960 0.000 0.000 0.257 318 G HA3 0.018 3.979 3.960 0.000 0.000 0.257 318 G C 0.537 175.461 174.900 0.039 0.000 1.227 318 G CA -0.349 44.792 45.100 0.068 0.000 0.835 318 G HN 0.350 nan 8.290 nan 0.000 0.556 319 E N 0.557 120.773 120.200 0.027 0.000 2.072 319 E HA -0.135 4.215 4.350 0.000 0.000 0.191 319 E C 2.683 179.290 176.600 0.012 0.000 0.985 319 E CA 0.781 57.190 56.400 0.014 0.000 0.801 319 E CB -0.006 29.700 29.700 0.010 0.000 0.750 319 E HN 0.337 nan 8.360 nan 0.000 0.452 320 V N 1.542 121.465 119.914 0.014 0.000 2.392 320 V HA -0.275 3.845 4.120 0.000 0.000 0.249 320 V C 1.952 178.053 176.094 0.013 0.000 1.059 320 V CA 1.942 64.249 62.300 0.012 0.000 1.051 320 V CB -0.536 31.296 31.823 0.013 0.000 0.658 320 V HN 0.230 nan 8.190 nan 0.000 0.455 321 E N -0.178 120.033 120.200 0.019 0.000 2.106 321 E HA -0.186 4.164 4.350 0.000 0.000 0.192 321 E C 2.488 179.097 176.600 0.014 0.000 0.984 321 E CA 1.032 57.444 56.400 0.021 0.000 0.806 321 E CB -0.159 29.559 29.700 0.031 0.000 0.750 321 E HN 0.513 nan 8.360 nan 0.000 0.458 322 R N 0.201 120.707 120.500 0.011 0.000 2.115 322 R HA 0.009 4.350 4.340 0.000 0.000 0.226 322 R C 2.352 178.651 176.300 -0.002 0.000 1.100 322 R CA 0.742 56.844 56.100 0.003 0.000 0.980 322 R CB -0.033 30.267 30.300 -0.001 0.000 0.875 322 R HN -0.008 nan 8.270 nan 0.000 0.445 323 R N 0.440 120.938 120.500 -0.002 0.000 2.115 323 R HA -0.067 4.273 4.340 0.000 0.000 0.230 323 R C 1.939 178.232 176.300 -0.012 0.000 1.111 323 R CA 1.090 57.185 56.100 -0.008 0.000 0.976 323 R CB -0.089 30.207 30.300 -0.006 0.000 0.870 323 R HN 0.132 nan 8.270 nan 0.000 0.445 324 I N -0.103 120.465 120.570 -0.004 0.000 2.202 324 I HA -0.264 3.906 4.170 0.000 0.000 0.242 324 I C 2.105 178.217 176.117 -0.009 0.000 1.091 324 I CA 1.027 62.325 61.300 -0.004 0.000 1.368 324 I CB -0.070 37.936 38.000 0.009 0.000 1.058 324 I HN -0.055 nan 8.210 nan 0.000 0.410 325 V N -0.454 119.459 119.914 -0.002 0.000 2.332 325 V HA -0.293 3.827 4.120 0.000 0.000 0.248 325 V C 2.451 178.537 176.094 -0.013 0.000 1.055 325 V CA 2.177 64.477 62.300 0.000 0.000 1.038 325 V CB -0.937 30.888 31.823 0.005 0.000 0.651 325 V HN 0.373 nan 8.190 nan 0.000 0.450 326 S N -0.475 115.213 115.700 -0.020 0.000 2.383 326 S HA -0.254 4.216 4.470 0.000 0.000 0.227 326 S C 2.036 176.604 174.600 -0.053 0.000 1.026 326 S CA 1.671 59.853 58.200 -0.030 0.000 0.981 326 S CB -0.330 62.855 63.200 -0.026 0.000 0.818 326 S HN 0.663 nan 8.310 nan 0.000 0.472 327 Q N 1.140 120.905 119.800 -0.058 0.000 2.124 327 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 327 Q C 1.956 177.866 176.000 -0.149 0.000 0.977 327 Q CA 1.203 56.952 55.803 -0.091 0.000 0.850 327 Q CB -0.482 28.213 28.738 -0.070 0.000 0.901 327 Q HN 0.434 nan 8.270 nan 0.000 0.429 328 L N -0.464 120.691 121.223 -0.113 0.000 2.023 328 L HA -0.018 4.322 4.340 0.000 0.000 0.205 328 L C 2.018 178.802 176.870 -0.143 0.000 1.073 328 L CA 1.611 56.369 54.840 -0.137 0.000 0.745 328 L CB -0.734 41.316 42.059 -0.015 0.000 0.900 328 L HN 0.389 nan 8.230 nan 0.000 0.435 329 L N -0.841 120.340 121.223 -0.071 0.000 2.043 329 L HA -0.273 4.068 4.340 0.000 0.000 0.212 329 L C 2.343 179.156 176.870 -0.096 0.000 1.075 329 L CA 1.976 56.782 54.840 -0.057 0.000 0.752 329 L CB -1.037 41.006 42.059 -0.028 0.000 0.891 329 L HN 0.315 nan 8.230 nan 0.000 0.432 330 T N -0.066 114.418 114.554 -0.117 0.000 2.746 330 T HA -0.153 4.197 4.350 0.000 0.000 0.267 330 T C 1.923 176.516 174.700 -0.179 0.000 1.039 330 T CA 1.240 63.265 62.100 -0.124 0.000 1.142 330 T CB -0.224 68.577 68.868 -0.111 0.000 0.866 330 T HN 0.196 nan 8.240 nan 0.000 0.444 331 L N 0.276 121.312 121.223 -0.312 0.000 2.056 331 L HA -0.045 4.295 4.340 0.000 0.000 0.207 331 L C 2.756 179.443 176.870 -0.305 0.000 1.078 331 L CA 0.787 55.326 54.840 -0.503 0.000 0.749 331 L CB -0.537 40.794 42.059 -1.214 0.000 0.901 331 L HN 0.227 nan 8.230 nan 0.000 0.433 332 M N -0.429 119.043 119.600 -0.214 0.000 2.149 332 M HA -0.214 4.266 4.480 0.000 0.000 0.261 332 M C 1.505 177.764 176.300 -0.068 0.000 1.064 332 M CA 1.682 56.944 55.300 -0.063 0.000 1.102 332 M CB -0.991 31.548 32.600 -0.103 0.000 1.369 332 M HN 0.242 nan 8.290 nan 0.000 0.408 333 D N -0.827 119.525 120.400 -0.079 0.000 2.333 333 D HA 0.074 4.715 4.640 0.000 0.000 0.208 333 D C 1.997 178.267 176.300 -0.050 0.000 0.984 333 D CA 0.792 54.757 54.000 -0.059 0.000 0.873 333 D CB -0.387 40.383 40.800 -0.050 0.000 0.935 333 D HN 0.397 nan 8.370 nan 0.000 0.521 334 G N 0.710 109.475 108.800 -0.059 0.000 2.422 334 G HA2 -0.078 3.882 3.960 0.000 0.000 0.218 334 G HA3 -0.078 3.882 3.960 0.000 0.000 0.218 334 G C 0.778 175.667 174.900 -0.018 0.000 1.140 334 G CA -0.013 45.059 45.100 -0.046 0.000 0.775 334 G HN 0.222 nan 8.290 nan 0.000 0.545 335 L N 1.610 122.835 121.223 0.003 0.000 2.456 335 L HA 0.210 4.551 4.340 0.000 0.000 0.277 335 L C 0.541 177.388 176.870 -0.039 0.000 1.124 335 L CA -0.264 54.574 54.840 -0.004 0.000 0.880 335 L CB 0.591 42.656 42.059 0.010 0.000 1.192 335 L HN 0.055 nan 8.230 nan 0.000 0.463 336 K N 2.005 122.378 120.400 -0.046 0.000 2.149 336 K HA 0.057 4.377 4.320 0.000 0.000 0.245 336 K C 0.944 177.487 176.600 -0.095 0.000 1.024 336 K CA -0.772 55.479 56.287 -0.059 0.000 0.899 336 K CB 0.632 33.101 32.500 -0.051 0.000 1.038 336 K HN 0.480 nan 8.250 nan 0.000 0.496 337 Q N 1.216 120.957 119.800 -0.100 0.000 2.045 337 Q HA -0.228 4.112 4.340 0.000 0.000 0.206 337 Q C 1.706 177.552 176.000 -0.257 0.000 0.991 337 Q CA 1.935 57.655 55.803 -0.139 0.000 0.851 337 Q CB -0.552 28.128 28.738 -0.096 0.000 0.911 337 Q HN 0.532 nan 8.270 nan 0.000 0.418 338 R N 0.628 120.975 120.500 -0.255 0.000 2.369 338 R HA 0.186 4.526 4.340 0.000 0.000 0.200 338 R C 1.738 177.792 176.300 -0.409 0.000 1.046 338 R CA 0.943 56.806 56.100 -0.395 0.000 1.057 338 R CB -0.712 29.494 30.300 -0.157 0.000 0.888 338 R HN 0.176 nan 8.270 nan 0.000 0.474 339 A N 0.945 123.600 122.820 -0.276 0.000 1.968 339 A HA -0.104 4.216 4.320 0.000 0.000 0.217 339 A C 0.096 177.652 177.584 -0.046 0.000 1.169 339 A CA 0.849 52.813 52.037 -0.123 0.000 0.638 339 A CB -0.590 18.366 19.000 -0.074 0.000 0.812 339 A HN 0.679 nan 8.150 nan 0.000 0.446 340 H N -1.803 117.246 119.070 -0.035 0.000 2.748 340 H HA -0.118 4.438 4.556 0.000 0.000 0.322 340 H C -0.955 174.350 175.328 -0.038 0.000 1.208 340 H CA 0.659 56.685 56.048 -0.038 0.000 1.151 340 H CB -2.403 27.347 29.762 -0.021 0.000 1.505 340 H HN 0.261 nan 8.280 nan 0.000 0.429 341 V N 2.880 122.797 119.914 0.004 0.000 2.483 341 V HA 0.359 4.480 4.120 0.000 0.000 0.297 341 V C 0.514 176.559 176.094 -0.082 0.000 1.027 341 V CA -0.715 61.562 62.300 -0.037 0.000 0.855 341 V CB 2.501 34.278 31.823 -0.077 0.000 0.995 341 V HN 0.205 nan 8.190 nan 0.000 0.424 342 I N 5.131 125.657 120.570 -0.074 0.000 2.412 342 I HA 0.486 4.656 4.170 0.000 0.000 0.296 342 I C -0.166 175.883 176.117 -0.114 0.000 0.987 342 I CA -0.679 60.566 61.300 -0.091 0.000 1.180 342 I CB 1.871 39.844 38.000 -0.045 0.000 1.340 342 I HN 0.242 nan 8.210 nan 0.000 0.455 343 V N 6.831 126.661 119.914 -0.139 0.000 2.370 343 V HA 0.442 4.562 4.120 0.000 0.000 0.283 343 V C 0.286 176.405 176.094 0.041 0.000 1.023 343 V CA -0.507 61.728 62.300 -0.107 0.000 0.857 343 V CB 1.474 33.211 31.823 -0.142 0.000 0.985 343 V HN 0.642 nan 8.190 nan 0.000 0.443 344 M N 3.880 123.458 119.600 -0.036 0.000 2.472 344 M HA 0.846 5.326 4.480 0.000 0.000 0.331 344 M C -0.152 175.818 176.300 -0.550 0.000 1.170 344 M CA -0.367 54.829 55.300 -0.174 0.000 1.009 344 M CB 2.157 34.645 32.600 -0.186 0.000 1.672 344 M HN 0.742 nan 8.290 nan 0.000 0.453 345 A N 1.593 124.050 122.820 -0.606 0.000 2.572 345 A HA 0.966 5.286 4.320 0.000 0.000 0.295 345 A C -1.746 175.545 177.584 -0.487 0.000 1.072 345 A CA -0.683 50.921 52.037 -0.721 0.000 0.691 345 A CB 1.653 20.203 19.000 -0.751 0.000 1.291 345 A HN 0.888 nan 8.150 nan 0.000 0.404 346 A N 0.314 122.976 122.820 -0.264 0.000 2.393 346 A HA 0.932 5.252 4.320 0.000 0.000 0.306 346 A C -0.427 177.166 177.584 0.016 0.000 1.050 346 A CA -0.081 51.963 52.037 0.012 0.000 0.724 346 A CB 1.713 20.889 19.000 0.293 0.000 1.248 346 A HN 1.834 nan 8.150 nan 0.000 0.424 347 T N -0.078 114.502 114.554 0.042 0.000 2.889 347 T HA 0.451 4.801 4.350 0.000 0.000 0.315 347 T C -0.062 174.685 174.700 0.077 0.000 1.291 347 T CA -0.045 62.078 62.100 0.039 0.000 1.028 347 T CB 1.079 69.940 68.868 -0.011 0.000 1.235 347 T HN 0.909 nan 8.240 nan 0.000 0.491 348 N N 1.514 120.250 118.700 0.060 0.000 2.236 348 N HA 0.140 4.881 4.740 0.000 0.000 0.196 348 N C 0.266 175.810 175.510 0.057 0.000 1.114 348 N CA -0.349 52.741 53.050 0.067 0.000 0.859 348 N CB 0.171 38.688 38.487 0.050 0.000 0.982 348 N HN 0.619 nan 8.380 nan 0.000 0.493 349 R N -0.254 120.268 120.500 0.037 0.000 2.644 349 R HA 0.372 4.712 4.340 0.000 0.000 0.271 349 R C -2.325 173.969 176.300 -0.009 0.000 1.687 349 R CA -1.312 54.798 56.100 0.017 0.000 1.655 349 R CB 0.829 31.135 30.300 0.010 0.000 1.285 349 R HN -0.016 nan 8.270 nan 0.000 0.643 350 P HA -0.140 nan 4.420 nan 0.000 0.220 350 P C 0.060 177.305 177.300 -0.092 0.000 1.148 350 P CA 0.938 63.984 63.100 -0.089 0.000 0.803 350 P CB 0.229 31.804 31.700 -0.208 0.000 0.782 351 N N -0.182 118.476 118.700 -0.069 0.000 2.521 351 N HA -0.045 4.696 4.740 0.000 0.000 0.188 351 N C 1.473 176.962 175.510 -0.035 0.000 1.146 351 N CA 0.872 53.889 53.050 -0.055 0.000 0.893 351 N CB -0.379 38.083 38.487 -0.043 0.000 0.975 351 N HN 0.293 nan 8.380 nan 0.000 0.451 352 S N -0.815 114.867 115.700 -0.029 0.000 2.540 352 S HA 0.256 4.726 4.470 0.000 0.000 0.218 352 S C 0.537 175.124 174.600 -0.020 0.000 0.977 352 S CA -0.484 57.706 58.200 -0.018 0.000 0.918 352 S CB 0.048 63.243 63.200 -0.009 0.000 0.806 352 S HN 0.025 nan 8.310 nan 0.000 0.496 353 I N 2.856 123.405 120.570 -0.033 0.000 2.474 353 I HA 0.180 4.350 4.170 0.000 0.000 0.287 353 I C 0.444 176.549 176.117 -0.020 0.000 1.048 353 I CA -0.523 60.757 61.300 -0.033 0.000 1.383 353 I CB 0.598 38.562 38.000 -0.061 0.000 1.412 353 I HN 0.172 nan 8.210 nan 0.000 0.531 354 D N 8.228 128.624 120.400 -0.007 0.000 2.581 354 D HA -0.054 4.586 4.640 0.000 0.000 0.238 354 D C -1.637 174.669 176.300 0.010 0.000 1.145 354 D CA -0.752 53.250 54.000 0.003 0.000 0.866 354 D CB 1.289 42.094 40.800 0.009 0.000 1.151 354 D HN 0.249 nan 8.370 nan 0.000 0.500 355 P HA -0.093 nan 4.420 nan 0.000 0.220 355 P C 0.997 178.314 177.300 0.029 0.000 1.148 355 P CA 1.091 64.198 63.100 0.012 0.000 0.803 355 P CB 0.131 31.835 31.700 0.006 0.000 0.782 356 A N -0.479 122.358 122.820 0.028 0.000 1.986 356 A HA -0.188 4.132 4.320 0.000 0.000 0.220 356 A C 2.078 179.695 177.584 0.055 0.000 1.171 356 A CA 1.497 53.555 52.037 0.035 0.000 0.640 356 A CB -1.680 17.334 19.000 0.024 0.000 0.811 356 A HN 0.183 nan 8.150 nan 0.000 0.451 357 L N -1.619 119.651 121.223 0.078 0.000 2.395 357 L HA 0.029 4.369 4.340 0.000 0.000 0.218 357 L C 2.291 179.281 176.870 0.200 0.000 1.130 357 L CA 0.631 55.561 54.840 0.151 0.000 0.826 357 L CB -0.035 42.127 42.059 0.172 0.000 0.941 357 L HN 0.256 nan 8.230 nan 0.000 0.451 358 R N -0.929 119.643 120.500 0.120 0.000 2.468 358 R HA 0.153 4.494 4.340 0.000 0.000 0.280 358 R C 0.360 176.710 176.300 0.083 0.000 0.963 358 R CA -0.251 55.916 56.100 0.111 0.000 1.083 358 R CB 0.428 30.762 30.300 0.057 0.000 1.200 358 R HN 0.132 nan 8.270 nan 0.000 0.541 359 R N -0.174 120.373 120.500 0.079 0.000 2.652 359 R HA 0.107 4.447 4.340 0.000 0.000 0.271 359 R C -0.355 176.006 176.300 0.102 0.000 1.129 359 R CA -0.391 55.766 56.100 0.095 0.000 1.200 359 R CB 0.247 30.599 30.300 0.087 0.000 1.146 359 R HN -0.094 nan 8.270 nan 0.000 0.581 360 F N 0.900 120.850 119.950 -0.001 0.000 2.602 360 F HA 0.148 4.675 4.527 -0.000 0.000 0.385 360 F C 1.376 177.159 175.800 -0.028 0.000 1.063 360 F CA 2.148 60.142 58.000 -0.010 0.000 1.233 360 F CB 0.337 39.333 39.000 -0.007 0.000 1.067 360 F HN 0.722 nan 8.300 nan 0.000 0.564 361 G N 4.350 112.839 108.800 -0.519 0.000 2.213 361 G HA2 -0.293 3.667 3.960 0.000 0.000 0.236 361 G HA3 -0.293 3.667 3.960 0.000 0.000 0.236 361 G C 0.810 175.552 174.900 -0.263 0.000 0.991 361 G CA 0.422 45.315 45.100 -0.344 0.000 0.629 361 G HN 0.703 nan 8.290 nan 0.000 0.517 362 R N -1.145 119.215 120.500 -0.233 0.000 1.996 362 R HA 0.658 4.998 4.340 0.000 0.000 0.120 362 R C 0.015 176.058 176.300 -0.428 0.000 1.829 362 R CA -0.320 55.602 56.100 -0.296 0.000 1.637 362 R CB -0.231 29.994 30.300 -0.124 0.000 1.313 362 R HN 0.079 nan 8.270 nan 0.000 0.487 363 F N 2.817 122.732 119.950 -0.058 0.000 2.606 363 F HA 0.127 4.654 4.527 0.000 0.000 0.347 363 F C 0.297 176.065 175.800 -0.054 0.000 1.207 363 F CA -0.477 57.489 58.000 -0.057 0.000 1.306 363 F CB 0.213 39.187 39.000 -0.042 0.000 1.657 363 F HN 0.363 nan 8.300 nan 0.000 0.606 364 D N -0.262 120.133 120.400 -0.009 0.000 2.325 364 D HA 0.032 4.673 4.640 0.000 0.000 0.225 364 D C 0.442 176.747 176.300 0.008 0.000 1.096 364 D CA 0.090 54.077 54.000 -0.022 0.000 0.844 364 D CB 0.178 40.881 40.800 -0.161 0.000 0.925 364 D HN 0.110 nan 8.370 nan 0.000 0.513 365 R N 0.464 120.993 120.500 0.049 0.000 2.621 365 R HA 0.480 4.821 4.340 0.000 0.000 0.284 365 R C -0.762 175.612 176.300 0.125 0.000 0.998 365 R CA -0.463 55.680 56.100 0.072 0.000 0.895 365 R CB 1.979 32.305 30.300 0.042 0.000 1.195 365 R HN 0.097 nan 8.270 nan 0.000 0.450 366 E N 1.331 121.619 120.200 0.147 0.000 2.234 366 E HA 0.433 4.783 4.350 0.000 0.000 0.266 366 E C -1.017 175.720 176.600 0.229 0.000 0.877 366 E CA -0.815 55.727 56.400 0.238 0.000 0.758 366 E CB 2.915 32.783 29.700 0.279 0.000 1.170 366 E HN 0.115 nan 8.360 nan 0.000 0.415 367 V N 2.510 122.533 119.914 0.182 0.000 2.378 367 V HA 0.155 4.275 4.120 0.000 0.000 0.288 367 V C -0.645 175.302 176.094 -0.245 0.000 1.016 367 V CA -0.853 61.461 62.300 0.024 0.000 0.840 367 V CB 1.613 33.455 31.823 0.032 0.000 0.994 367 V HN 0.653 nan 8.190 nan 0.000 0.431 368 D N 5.276 125.444 120.400 -0.387 0.000 2.393 368 D HA 0.204 4.844 4.640 0.000 0.000 0.232 368 D C 0.042 176.112 176.300 -0.384 0.000 1.192 368 D CA -0.382 53.150 54.000 -0.781 0.000 0.882 368 D CB 0.539 41.040 40.800 -0.498 0.000 1.038 368 D HN 0.270 nan 8.370 nan 0.000 0.499 369 I N 4.500 124.864 120.570 -0.343 0.000 2.227 369 I HA 0.258 4.429 4.170 0.000 0.000 0.297 369 I C 1.403 177.442 176.117 -0.129 0.000 1.173 369 I CA -0.278 60.930 61.300 -0.153 0.000 1.356 369 I CB -0.329 37.628 38.000 -0.072 0.000 1.485 369 I HN 0.320 nan 8.210 nan 0.000 0.604 370 G N 5.448 114.185 108.800 -0.105 0.000 2.494 370 G HA2 0.490 4.451 3.960 0.000 0.000 0.270 370 G HA3 0.490 4.451 3.960 0.000 0.000 0.270 370 G C 0.019 174.907 174.900 -0.020 0.000 1.423 370 G CA -0.640 44.424 45.100 -0.060 0.000 1.055 370 G HN 0.375 nan 8.290 nan 0.000 0.536 371 I N 2.318 122.887 120.570 -0.001 0.000 2.496 371 I HA 0.203 4.373 4.170 0.000 0.000 0.285 371 I C -1.440 174.688 176.117 0.018 0.000 1.080 371 I CA -1.215 60.093 61.300 0.014 0.000 1.404 371 I CB 1.102 39.116 38.000 0.022 0.000 1.403 371 I HN 0.224 nan 8.210 nan 0.000 0.539 372 P HA 0.090 nan 4.420 nan 0.000 0.269 372 P C -0.894 176.426 177.300 0.034 0.000 1.209 372 P CA -0.391 62.725 63.100 0.027 0.000 0.776 372 P CB 0.478 32.198 31.700 0.033 0.000 0.876 373 D N 1.197 121.614 120.400 0.028 0.000 2.414 373 D HA 0.091 4.731 4.640 0.000 0.000 0.251 373 D C 1.244 177.563 176.300 0.032 0.000 1.252 373 D CA -0.447 53.572 54.000 0.031 0.000 0.999 373 D CB 0.137 40.951 40.800 0.023 0.000 1.093 373 D HN 0.295 nan 8.370 nan 0.000 0.515 374 A N 0.009 122.849 122.820 0.033 0.000 1.908 374 A HA -0.189 4.131 4.320 0.000 0.000 0.218 374 A C 2.185 179.775 177.584 0.010 0.000 1.181 374 A CA 2.565 54.616 52.037 0.024 0.000 0.627 374 A CB -1.340 17.678 19.000 0.030 0.000 0.818 374 A HN 0.705 nan 8.150 nan 0.000 0.445 375 T N -0.247 114.314 114.554 0.011 0.000 2.708 375 T HA -0.063 4.288 4.350 0.000 0.000 0.266 375 T C 1.980 176.685 174.700 0.008 0.000 1.037 375 T CA 1.489 63.593 62.100 0.006 0.000 1.146 375 T CB -0.747 68.125 68.868 0.007 0.000 0.865 375 T HN 0.599 nan 8.240 nan 0.000 0.435 376 G N 1.369 110.177 108.800 0.014 0.000 2.422 376 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 376 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 376 G C 1.741 176.654 174.900 0.021 0.000 1.146 376 G CA 0.342 45.453 45.100 0.018 0.000 0.769 376 G HN 0.420 nan 8.290 nan 0.000 0.547 377 R N -0.655 119.855 120.500 0.017 0.000 2.092 377 R HA 0.046 4.386 4.340 0.000 0.000 0.231 377 R C 2.464 178.765 176.300 0.002 0.000 1.119 377 R CA 0.944 57.051 56.100 0.013 0.000 0.970 377 R CB -0.504 29.797 30.300 0.002 0.000 0.864 377 R HN 0.373 nan 8.270 nan 0.000 0.440 378 L N 1.786 123.005 121.223 -0.007 0.000 2.012 378 L HA -0.198 4.143 4.340 0.000 0.000 0.210 378 L C 1.898 178.769 176.870 0.003 0.000 1.073 378 L CA 1.869 56.701 54.840 -0.014 0.000 0.748 378 L CB -0.376 41.671 42.059 -0.019 0.000 0.891 378 L HN 0.135 nan 8.230 nan 0.000 0.431 379 E N -0.305 119.903 120.200 0.013 0.000 2.049 379 E HA -0.277 4.073 4.350 0.000 0.000 0.198 379 E C 2.223 178.851 176.600 0.046 0.000 1.007 379 E CA 2.082 58.497 56.400 0.024 0.000 0.809 379 E CB -0.344 29.372 29.700 0.025 0.000 0.749 379 E HN 0.604 nan 8.360 nan 0.000 0.450 380 I N 0.926 121.533 120.570 0.060 0.000 2.208 380 I HA -0.305 3.865 4.170 0.000 0.000 0.245 380 I C 2.354 178.559 176.117 0.147 0.000 1.097 380 I CA 1.049 62.415 61.300 0.111 0.000 1.363 380 I CB -0.214 37.840 38.000 0.090 0.000 1.051 380 I HN 0.106 nan 8.210 nan 0.000 0.413 381 L N -0.277 120.995 121.223 0.081 0.000 2.156 381 L HA -0.197 4.144 4.340 0.000 0.000 0.208 381 L C 2.603 179.522 176.870 0.083 0.000 1.095 381 L CA 1.212 56.101 54.840 0.082 0.000 0.770 381 L CB -0.481 41.583 42.059 0.008 0.000 0.914 381 L HN 0.283 nan 8.230 nan 0.000 0.439 382 Q N -0.096 119.733 119.800 0.048 0.000 2.079 382 Q HA -0.169 4.171 4.340 0.000 0.000 0.200 382 Q C 2.332 178.354 176.000 0.037 0.000 0.974 382 Q CA 1.408 57.230 55.803 0.031 0.000 0.840 382 Q CB -0.045 28.701 28.738 0.013 0.000 0.898 382 Q HN 0.506 nan 8.270 nan 0.000 0.430 383 I N -0.362 120.235 120.570 0.046 0.000 2.252 383 I HA -0.276 3.894 4.170 0.000 0.000 0.245 383 I C 1.931 178.012 176.117 -0.061 0.000 1.102 383 I CA 1.241 62.541 61.300 0.001 0.000 1.385 383 I CB -0.143 37.863 38.000 0.011 0.000 1.064 383 I HN 0.227 nan 8.210 nan 0.000 0.414 384 H N 0.014 119.101 119.070 0.027 0.000 2.389 384 H HA -0.116 4.441 4.556 0.001 0.000 0.299 384 H C 2.105 177.460 175.328 0.045 0.000 1.081 384 H CA 1.976 58.046 56.048 0.037 0.000 1.345 384 H CB -0.048 29.745 29.762 0.051 0.000 1.393 384 H HN 0.362 nan 8.280 nan 0.000 0.520 385 T N -1.455 113.178 114.554 0.132 0.000 3.122 385 T HA 0.013 4.363 4.350 0.000 0.000 0.250 385 T C 1.568 176.302 174.700 0.057 0.000 1.067 385 T CA -0.001 62.168 62.100 0.115 0.000 0.966 385 T CB -0.009 68.946 68.868 0.145 0.000 1.002 385 T HN 0.484 nan 8.240 nan 0.000 0.542 386 K N 1.859 122.273 120.400 0.022 0.000 2.281 386 K HA -0.091 4.229 4.320 0.000 0.000 0.203 386 K C 1.331 177.933 176.600 0.003 0.000 1.046 386 K CA 1.388 57.677 56.287 0.004 0.000 0.938 386 K CB -0.280 32.212 32.500 -0.014 0.000 0.737 386 K HN 0.281 nan 8.250 nan 0.000 0.458 387 N N -0.036 118.666 118.700 0.004 0.000 2.220 387 N HA 0.128 4.868 4.740 0.000 0.000 0.195 387 N C 0.017 175.538 175.510 0.018 0.000 1.123 387 N CA 0.108 53.160 53.050 0.003 0.000 0.874 387 N CB 0.385 38.866 38.487 -0.010 0.000 0.995 387 N HN 0.215 nan 8.380 nan 0.000 0.498 388 M N 1.200 120.822 119.600 0.038 0.000 2.250 388 M HA 0.161 4.641 4.480 0.000 0.000 0.344 388 M C 0.094 176.424 176.300 0.050 0.000 1.150 388 M CA -0.166 55.166 55.300 0.053 0.000 1.147 388 M CB 0.903 33.557 32.600 0.091 0.000 1.498 388 M HN -0.368 nan 8.290 nan 0.000 0.461 389 K N 4.622 125.049 120.400 0.045 0.000 2.284 389 K HA 0.470 4.790 4.320 0.000 0.000 0.287 389 K C -0.869 175.769 176.600 0.063 0.000 1.081 389 K CA 0.062 56.374 56.287 0.041 0.000 0.910 389 K CB 0.071 32.586 32.500 0.025 0.000 1.088 389 K HN 0.629 nan 8.250 nan 0.000 0.478 390 L N 1.428 122.690 121.223 0.065 0.000 2.330 390 L HA 0.585 4.925 4.340 0.000 0.000 0.271 390 L C 0.400 177.304 176.870 0.057 0.000 1.013 390 L CA -1.171 53.721 54.840 0.086 0.000 0.816 390 L CB 1.814 43.922 42.059 0.082 0.000 1.287 390 L HN 0.553 nan 8.230 nan 0.000 0.435 391 A N 0.496 123.354 122.820 0.064 0.000 2.264 391 A HA 0.274 4.594 4.320 0.000 0.000 0.304 391 A C 0.374 177.971 177.584 0.023 0.000 1.100 391 A CA -0.372 51.689 52.037 0.041 0.000 0.839 391 A CB 0.471 19.499 19.000 0.047 0.000 1.121 391 A HN 0.856 nan 8.150 nan 0.000 0.496 392 D N 0.310 120.719 120.400 0.014 0.000 2.149 392 D HA -0.186 4.454 4.640 0.000 0.000 0.194 392 D C 1.282 177.580 176.300 -0.002 0.000 1.001 392 D CA 2.245 56.247 54.000 0.004 0.000 0.849 392 D CB -0.009 40.793 40.800 0.004 0.000 0.939 392 D HN 0.731 nan 8.370 nan 0.000 0.449 393 D N 0.099 120.503 120.400 0.005 0.000 2.347 393 D HA -0.081 4.559 4.640 0.000 0.000 0.215 393 D C 0.274 176.566 176.300 -0.013 0.000 0.976 393 D CA 0.054 54.055 54.000 0.001 0.000 0.884 393 D CB -0.408 40.400 40.800 0.014 0.000 0.915 393 D HN 0.022 nan 8.370 nan 0.000 0.526 394 V N 1.667 121.569 119.914 -0.020 0.000 2.425 394 V HA 0.029 4.149 4.120 0.000 0.000 0.276 394 V C 0.052 176.069 176.094 -0.127 0.000 1.017 394 V CA 0.005 62.254 62.300 -0.085 0.000 1.062 394 V CB 0.404 32.179 31.823 -0.079 0.000 0.997 394 V HN 0.062 nan 8.190 nan 0.000 0.476 395 D N 4.656 124.963 120.400 -0.156 0.000 2.454 395 D HA 0.324 4.965 4.640 0.000 0.000 0.225 395 D C 0.849 177.022 176.300 -0.211 0.000 1.081 395 D CA -0.306 53.609 54.000 -0.142 0.000 0.864 395 D CB 1.292 42.036 40.800 -0.092 0.000 1.040 395 D HN 0.381 nan 8.370 nan 0.000 0.517 396 L N 2.365 123.460 121.223 -0.213 0.000 2.141 396 L HA -0.057 4.283 4.340 0.000 0.000 0.209 396 L C 2.142 178.921 176.870 -0.152 0.000 1.094 396 L CA 0.740 55.443 54.840 -0.229 0.000 0.763 396 L CB -0.088 41.868 42.059 -0.172 0.000 0.908 396 L HN 0.467 nan 8.230 nan 0.000 0.437 397 E N -0.096 120.039 120.200 -0.108 0.000 2.085 397 E HA -0.296 4.054 4.350 0.000 0.000 0.194 397 E C 2.153 178.703 176.600 -0.082 0.000 0.994 397 E CA 1.379 57.733 56.400 -0.077 0.000 0.801 397 E CB 0.056 29.724 29.700 -0.054 0.000 0.743 397 E HN 0.342 nan 8.360 nan 0.000 0.453 398 Q N 0.540 120.283 119.800 -0.095 0.000 2.050 398 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 398 Q C 2.089 178.019 176.000 -0.116 0.000 0.980 398 Q CA 1.383 57.132 55.803 -0.090 0.000 0.840 398 Q CB -0.235 28.453 28.738 -0.082 0.000 0.898 398 Q HN 0.103 nan 8.270 nan 0.000 0.424 399 V N 0.836 120.656 119.914 -0.156 0.000 2.407 399 V HA -0.262 3.858 4.120 0.000 0.000 0.248 399 V C 2.288 178.286 176.094 -0.161 0.000 1.055 399 V CA 1.665 63.864 62.300 -0.167 0.000 1.049 399 V CB -1.366 30.313 31.823 -0.240 0.000 0.662 399 V HN 0.502 nan 8.190 nan 0.000 0.455 400 A N 0.692 123.433 122.820 -0.131 0.000 1.883 400 A HA -0.247 4.073 4.320 0.000 0.000 0.217 400 A C 2.097 179.620 177.584 -0.102 0.000 1.186 400 A CA 2.183 54.161 52.037 -0.099 0.000 0.624 400 A CB -0.659 18.302 19.000 -0.064 0.000 0.822 400 A HN 0.598 nan 8.150 nan 0.000 0.444 401 N N -0.064 118.580 118.700 -0.094 0.000 2.188 401 N HA -0.112 4.628 4.740 0.000 0.000 0.184 401 N C 1.447 176.833 175.510 -0.206 0.000 1.018 401 N CA 1.424 54.430 53.050 -0.073 0.000 0.858 401 N CB -0.409 38.061 38.487 -0.028 0.000 0.989 401 N HN 0.669 nan 8.380 nan 0.000 0.426 402 E N -0.001 120.037 120.200 -0.270 0.000 2.482 402 E HA -0.021 4.329 4.350 0.000 0.000 0.196 402 E C 0.002 176.259 176.600 -0.572 0.000 1.047 402 E CA 0.450 56.591 56.400 -0.431 0.000 0.869 402 E CB 0.052 29.614 29.700 -0.230 0.000 0.836 402 E HN 0.348 nan 8.360 nan 0.000 0.520 403 T N -1.965 112.314 114.554 -0.459 0.000 3.598 403 T HA 0.205 4.555 4.350 0.000 0.000 0.343 403 T C 0.342 174.997 174.700 -0.074 0.000 1.697 403 T CA -0.438 61.374 62.100 -0.480 0.000 1.247 403 T CB -0.042 68.470 68.868 -0.593 0.000 1.210 403 T HN 0.136 nan 8.240 nan 0.000 0.820 404 H N 1.946 121.091 119.070 0.124 0.000 2.353 404 H HA 0.103 4.660 4.556 0.001 0.000 0.300 404 H C 2.259 177.661 175.328 0.124 0.000 1.090 404 H CA 1.155 57.265 56.048 0.104 0.000 1.327 404 H CB 0.254 30.056 29.762 0.066 0.000 1.383 404 H HN 0.662 nan 8.280 nan 0.000 0.508 405 G N -1.202 107.777 108.800 0.298 0.000 3.651 405 G HA2 0.026 3.986 3.960 0.000 0.000 0.279 405 G HA3 0.026 3.986 3.960 0.000 0.000 0.279 405 G C -0.790 174.148 174.900 0.063 0.000 1.024 405 G CA -0.322 44.856 45.100 0.130 0.000 0.813 405 G HN 0.265 nan 8.290 nan 0.000 0.518 406 H N 0.472 119.553 119.070 0.017 0.000 2.683 406 H HA 0.392 4.949 4.556 0.000 0.000 0.339 406 H C 0.806 176.134 175.328 -0.000 0.000 1.081 406 H CA -0.061 55.987 56.048 -0.001 0.000 1.432 406 H CB 1.674 31.427 29.762 -0.015 0.000 1.462 406 H HN 0.155 nan 8.280 nan 0.000 0.557 407 V N 0.768 120.715 119.914 0.055 0.000 3.302 407 V HA 0.555 4.675 4.120 0.000 0.000 0.316 407 V C 1.532 177.649 176.094 0.038 0.000 1.111 407 V CA -0.113 62.210 62.300 0.038 0.000 1.029 407 V CB 1.136 32.964 31.823 0.009 0.000 1.170 407 V HN 0.800 nan 8.190 nan 0.000 0.452 408 G N -0.233 108.583 108.800 0.026 0.000 2.476 408 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 408 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 408 G C 1.498 176.380 174.900 -0.030 0.000 1.164 408 G CA 1.510 46.618 45.100 0.013 0.000 0.768 408 G HN 1.467 nan 8.290 nan 0.000 0.560 409 A N 1.046 123.859 122.820 -0.012 0.000 1.908 409 A HA -0.088 4.232 4.320 0.000 0.000 0.218 409 A C 2.098 179.660 177.584 -0.035 0.000 1.181 409 A CA 2.137 54.159 52.037 -0.025 0.000 0.627 409 A CB -0.432 18.563 19.000 -0.007 0.000 0.818 409 A HN 0.325 nan 8.150 nan 0.000 0.445 410 D N 0.052 120.444 120.400 -0.013 0.000 2.144 410 D HA -0.109 4.531 4.640 0.000 0.000 0.199 410 D C 1.974 178.319 176.300 0.076 0.000 0.984 410 D CA 1.045 55.059 54.000 0.023 0.000 0.834 410 D CB -0.299 40.494 40.800 -0.012 0.000 0.955 410 D HN 0.473 nan 8.370 nan 0.000 0.465 411 L N 0.826 122.072 121.223 0.037 0.000 2.056 411 L HA -0.114 4.226 4.340 0.000 0.000 0.207 411 L C 2.658 179.436 176.870 -0.152 0.000 1.078 411 L CA 0.967 55.793 54.840 -0.023 0.000 0.749 411 L CB -0.458 41.579 42.059 -0.037 0.000 0.901 411 L HN -0.036 nan 8.230 nan 0.000 0.433 412 A N 0.253 122.875 122.820 -0.330 0.000 1.892 412 A HA -0.245 4.075 4.320 0.000 0.000 0.218 412 A C 2.514 180.010 177.584 -0.147 0.000 1.188 412 A CA 2.058 53.816 52.037 -0.465 0.000 0.631 412 A CB -0.756 18.002 19.000 -0.403 0.000 0.822 412 A HN 0.425 nan 8.150 nan 0.000 0.447 413 A N -0.764 122.011 122.820 -0.076 0.000 1.898 413 A HA 0.013 4.334 4.320 0.000 0.000 0.216 413 A C 2.150 179.725 177.584 -0.017 0.000 1.181 413 A CA 1.594 53.615 52.037 -0.027 0.000 0.620 413 A CB -0.626 18.366 19.000 -0.013 0.000 0.819 413 A HN 0.696 nan 8.150 nan 0.000 0.442 414 L N -0.270 120.950 121.223 -0.004 0.000 2.042 414 L HA -0.218 4.122 4.340 0.000 0.000 0.210 414 L C 2.466 179.308 176.870 -0.047 0.000 1.076 414 L CA 2.342 57.183 54.840 0.001 0.000 0.749 414 L CB -0.608 41.476 42.059 0.042 0.000 0.893 414 L HN 0.464 nan 8.230 nan 0.000 0.432 415 C N -1.746 117.541 119.300 -0.020 0.000 2.440 415 C HA -0.112 4.348 4.460 0.000 0.000 0.278 415 C C 3.132 178.077 174.990 -0.076 0.000 1.295 415 C CA 1.088 60.085 59.018 -0.035 0.000 1.738 415 C CB -0.905 26.887 27.740 0.088 0.000 1.987 415 C HN 0.683 nan 8.230 nan 0.000 0.492 416 S N 0.049 115.730 115.700 -0.030 0.000 2.370 416 S HA -0.160 4.310 4.470 0.000 0.000 0.226 416 S C 1.970 176.553 174.600 -0.029 0.000 1.033 416 S CA 1.411 59.600 58.200 -0.017 0.000 1.011 416 S CB -0.254 62.948 63.200 0.003 0.000 0.852 416 S HN 0.577 nan 8.310 nan 0.000 0.457 417 E N 0.680 120.868 120.200 -0.021 0.000 2.152 417 E HA 0.041 4.391 4.350 0.000 0.000 0.192 417 E C 2.254 178.872 176.600 0.031 0.000 0.983 417 E CA 0.841 57.268 56.400 0.045 0.000 0.818 417 E CB -0.391 29.358 29.700 0.081 0.000 0.758 417 E HN 0.524 nan 8.360 nan 0.000 0.467 418 A N 1.454 124.181 122.820 -0.155 0.000 1.902 418 A HA -0.123 4.197 4.320 0.000 0.000 0.217 418 A C 2.400 179.840 177.584 -0.239 0.000 1.181 418 A CA 2.039 53.872 52.037 -0.340 0.000 0.623 418 A CB -0.521 17.832 19.000 -1.079 0.000 0.818 418 A HN 0.264 nan 8.150 nan 0.000 0.443 419 A N -0.715 121.989 122.820 -0.192 0.000 1.930 419 A HA 0.017 4.337 4.320 0.000 0.000 0.217 419 A C 2.187 179.725 177.584 -0.077 0.000 1.175 419 A CA 1.365 53.337 52.037 -0.109 0.000 0.627 419 A CB -0.540 18.420 19.000 -0.067 0.000 0.815 419 A HN 0.503 nan 8.150 nan 0.000 0.443 420 L N -1.030 120.158 121.223 -0.058 0.000 2.083 420 L HA -0.228 4.112 4.340 0.000 0.000 0.209 420 L C 2.784 179.590 176.870 -0.107 0.000 1.083 420 L CA 1.890 56.699 54.840 -0.052 0.000 0.752 420 L CB -0.196 41.859 42.059 -0.007 0.000 0.899 420 L HN 0.492 nan 8.230 nan 0.000 0.433 421 Q N -0.283 119.439 119.800 -0.130 0.000 2.084 421 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 421 Q C 2.097 177.988 176.000 -0.182 0.000 0.978 421 Q CA 2.065 57.720 55.803 -0.246 0.000 0.844 421 Q CB -0.250 28.352 28.738 -0.226 0.000 0.898 421 Q HN 0.537 nan 8.270 nan 0.000 0.426 422 A N -0.067 122.682 122.820 -0.118 0.000 1.933 422 A HA -0.135 4.185 4.320 0.000 0.000 0.218 422 A C 2.096 179.633 177.584 -0.079 0.000 1.175 422 A CA 1.357 53.344 52.037 -0.084 0.000 0.628 422 A CB -0.680 18.286 19.000 -0.056 0.000 0.814 422 A HN 0.479 nan 8.150 nan 0.000 0.444 423 I N -1.155 119.367 120.570 -0.080 0.000 2.226 423 I HA -0.246 3.924 4.170 0.000 0.000 0.245 423 I C 2.773 178.838 176.117 -0.086 0.000 1.100 423 I CA 1.255 62.513 61.300 -0.070 0.000 1.374 423 I CB -0.254 37.711 38.000 -0.058 0.000 1.057 423 I HN 0.281 nan 8.210 nan 0.000 0.413 424 R N 0.664 121.090 120.500 -0.123 0.000 2.092 424 R HA -0.137 4.203 4.340 0.000 0.000 0.231 424 R C 2.202 178.423 176.300 -0.131 0.000 1.119 424 R CA 1.139 57.152 56.100 -0.145 0.000 0.970 424 R CB -0.091 30.073 30.300 -0.225 0.000 0.864 424 R HN 0.290 nan 8.270 nan 0.000 0.440 425 K N -0.029 120.294 120.400 -0.129 0.000 2.283 425 K HA -0.134 4.186 4.320 0.000 0.000 0.202 425 K C 1.412 177.970 176.600 -0.071 0.000 1.048 425 K CA 0.980 57.207 56.287 -0.101 0.000 0.948 425 K CB 0.121 32.567 32.500 -0.090 0.000 0.742 425 K HN -0.142 nan 8.250 nan 0.000 0.458 426 K N -0.031 120.330 120.400 -0.065 0.000 2.397 426 K HA 0.171 4.491 4.320 0.000 0.000 0.202 426 K C 1.301 177.873 176.600 -0.047 0.000 1.022 426 K CA -0.043 56.215 56.287 -0.048 0.000 1.141 426 K CB 0.336 32.812 32.500 -0.041 0.000 0.857 426 K HN -0.080 nan 8.250 nan 0.000 0.514 427 M N 1.471 121.038 119.600 -0.056 0.000 2.117 427 M HA -0.179 4.301 4.480 0.000 0.000 0.262 427 M C 1.026 177.302 176.300 -0.040 0.000 1.065 427 M CA 1.739 57.008 55.300 -0.051 0.000 1.114 427 M CB -0.701 31.863 32.600 -0.060 0.000 1.361 427 M HN 0.323 nan 8.290 nan 0.000 0.408 428 D N -0.577 119.800 120.400 -0.038 0.000 2.310 428 D HA -0.150 4.490 4.640 0.000 0.000 0.212 428 D C 1.500 177.785 176.300 -0.026 0.000 0.965 428 D CA 0.913 54.895 54.000 -0.030 0.000 0.879 428 D CB -0.370 40.413 40.800 -0.029 0.000 0.921 428 D HN 0.331 nan 8.370 nan 0.000 0.510 429 L N 0.096 121.303 121.223 -0.026 0.000 2.592 429 L HA 0.282 4.622 4.340 0.000 0.000 0.227 429 L C 0.731 177.587 176.870 -0.022 0.000 1.127 429 L CA 0.291 55.118 54.840 -0.022 0.000 0.884 429 L CB -0.015 42.032 42.059 -0.021 0.000 1.065 429 L HN -0.047 nan 8.230 nan 0.000 0.457 430 I N -1.212 119.343 120.570 -0.025 0.000 2.569 430 I HA 0.414 4.584 4.170 0.000 0.000 0.296 430 I C -1.009 175.094 176.117 -0.023 0.000 1.028 430 I CA -0.567 60.718 61.300 -0.024 0.000 1.082 430 I CB 2.323 40.306 38.000 -0.028 0.000 1.264 430 I HN -0.161 nan 8.210 nan 0.000 0.429 431 D N 2.771 123.158 120.400 -0.020 0.000 2.857 431 D HA 0.301 4.942 4.640 0.000 0.000 0.227 431 D C 0.100 176.389 176.300 -0.017 0.000 1.192 431 D CA -0.533 53.455 54.000 -0.019 0.000 0.857 431 D CB 2.383 43.173 40.800 -0.017 0.000 1.645 431 D HN 0.283 nan 8.370 nan 0.000 0.482 432 L N 2.177 123.389 121.223 -0.017 0.000 2.456 432 L HA 0.031 4.371 4.340 0.000 0.000 0.224 432 L C 1.412 178.274 176.870 -0.013 0.000 1.148 432 L CA 1.624 56.455 54.840 -0.015 0.000 0.825 432 L CB -0.125 41.925 42.059 -0.015 0.000 0.937 432 L HN 0.440 nan 8.230 nan 0.000 0.450 433 E N -0.467 119.725 120.200 -0.013 0.000 2.162 433 E HA 0.022 4.372 4.350 0.000 0.000 0.193 433 E C 0.182 176.776 176.600 -0.011 0.000 0.953 433 E CA 0.199 56.592 56.400 -0.011 0.000 0.849 433 E CB -0.332 29.362 29.700 -0.010 0.000 0.810 433 E HN 0.616 nan 8.360 nan 0.000 0.470 434 D N 1.900 122.293 120.400 -0.011 0.000 2.423 434 D HA -0.073 4.567 4.640 0.000 0.000 0.238 434 D C 0.858 177.151 176.300 -0.011 0.000 1.142 434 D CA 0.059 54.053 54.000 -0.011 0.000 0.884 434 D CB 1.672 42.465 40.800 -0.012 0.000 1.199 434 D HN 0.011 nan 8.370 nan 0.000 0.438 435 E N 1.019 121.213 120.200 -0.011 0.000 2.038 435 E HA -0.146 4.204 4.350 0.000 0.000 0.195 435 E C 0.270 176.862 176.600 -0.012 0.000 1.000 435 E CA 1.155 57.548 56.400 -0.011 0.000 0.803 435 E CB 0.234 29.928 29.700 -0.010 0.000 0.750 435 E HN 0.711 nan 8.360 nan 0.000 0.448 436 T N -0.864 113.683 114.554 -0.012 0.000 2.908 436 T HA 0.511 4.862 4.350 0.000 0.000 0.290 436 T C 0.009 174.701 174.700 -0.014 0.000 1.034 436 T CA -1.004 61.088 62.100 -0.013 0.000 1.010 436 T CB 1.780 70.641 68.868 -0.013 0.000 1.068 436 T HN -0.074 nan 8.240 nan 0.000 0.481 437 I N 2.082 122.644 120.570 -0.014 0.000 2.428 437 I HA 0.228 4.399 4.170 0.000 0.000 0.289 437 I C 0.934 177.043 176.117 -0.014 0.000 1.019 437 I CA -0.743 60.548 61.300 -0.015 0.000 1.351 437 I CB 0.852 38.842 38.000 -0.016 0.000 1.412 437 I HN 0.865 nan 8.210 nan 0.000 0.513 438 D N 4.310 124.702 120.400 -0.014 0.000 2.533 438 D HA -0.006 4.635 4.640 0.000 0.000 0.236 438 D C 0.904 177.196 176.300 -0.013 0.000 1.137 438 D CA 0.184 54.176 54.000 -0.013 0.000 0.867 438 D CB 1.390 42.182 40.800 -0.013 0.000 1.170 438 D HN 0.682 nan 8.370 nan 0.000 0.474 439 A N 4.199 127.011 122.820 -0.012 0.000 1.902 439 A HA -0.240 4.080 4.320 0.000 0.000 0.217 439 A C 1.924 179.501 177.584 -0.011 0.000 1.181 439 A CA 1.875 53.905 52.037 -0.011 0.000 0.623 439 A CB -0.355 18.638 19.000 -0.011 0.000 0.818 439 A HN 0.719 nan 8.150 nan 0.000 0.443 440 E N 0.242 120.435 120.200 -0.010 0.000 2.077 440 E HA -0.129 4.221 4.350 0.000 0.000 0.193 440 E C 1.711 178.304 176.600 -0.011 0.000 0.989 440 E CA 1.819 58.213 56.400 -0.010 0.000 0.800 440 E CB -0.590 29.105 29.700 -0.009 0.000 0.746 440 E HN 0.248 nan 8.360 nan 0.000 0.452 441 V N 0.513 120.420 119.914 -0.013 0.000 2.332 441 V HA -0.271 3.849 4.120 0.000 0.000 0.248 441 V C 2.514 178.600 176.094 -0.014 0.000 1.055 441 V CA 2.044 64.335 62.300 -0.015 0.000 1.038 441 V CB -0.570 31.243 31.823 -0.017 0.000 0.651 441 V HN 0.308 nan 8.190 nan 0.000 0.450 442 M N 0.789 120.381 119.600 -0.013 0.000 2.086 442 M HA -0.138 4.342 4.480 0.000 0.000 0.261 442 M C 1.946 178.240 176.300 -0.010 0.000 1.067 442 M CA 1.866 57.158 55.300 -0.013 0.000 1.116 442 M CB -0.603 31.989 32.600 -0.013 0.000 1.348 442 M HN 0.386 nan 8.290 nan 0.000 0.407 443 N N -0.643 118.052 118.700 -0.009 0.000 2.171 443 N HA -0.086 4.654 4.740 0.000 0.000 0.184 443 N C 1.730 177.237 175.510 -0.005 0.000 1.021 443 N CA 1.676 54.722 53.050 -0.006 0.000 0.854 443 N CB -0.945 37.539 38.487 -0.006 0.000 0.994 443 N HN 0.507 nan 8.380 nan 0.000 0.426 444 S N 0.639 116.335 115.700 -0.006 0.000 2.507 444 S HA -0.015 4.455 4.470 0.000 0.000 0.235 444 S C 0.867 175.464 174.600 -0.005 0.000 0.988 444 S CA 0.003 58.200 58.200 -0.005 0.000 0.944 444 S CB -0.683 62.512 63.200 -0.008 0.000 0.762 444 S HN 0.214 nan 8.310 nan 0.000 0.526 445 L N 2.491 123.710 121.223 -0.006 0.000 2.638 445 L HA 0.356 4.696 4.340 0.000 0.000 0.273 445 L C 0.392 177.263 176.870 0.003 0.000 1.147 445 L CA -0.145 54.691 54.840 -0.006 0.000 0.941 445 L CB -0.171 41.882 42.059 -0.010 0.000 1.251 445 L HN 0.406 nan 8.230 nan 0.000 0.479 446 A N 4.014 126.838 122.820 0.007 0.000 2.393 446 A HA 0.682 5.002 4.320 0.000 0.000 0.306 446 A C -0.690 176.912 177.584 0.030 0.000 1.050 446 A CA -0.544 51.507 52.037 0.023 0.000 0.724 446 A CB 1.678 20.693 19.000 0.025 0.000 1.248 446 A HN 0.284 nan 8.150 nan 0.000 0.424 447 V N 2.825 122.773 119.914 0.056 0.000 2.432 447 V HA 0.438 4.558 4.120 0.000 0.000 0.271 447 V C 1.056 177.236 176.094 0.144 0.000 1.046 447 V CA 0.244 62.589 62.300 0.074 0.000 0.945 447 V CB 0.661 32.531 31.823 0.078 0.000 0.992 447 V HN 1.068 nan 8.190 nan 0.000 0.471 448 T N 2.233 116.861 114.554 0.123 0.000 2.881 448 T HA 0.375 4.725 4.350 0.000 0.000 0.278 448 T C 0.946 175.794 174.700 0.246 0.000 0.982 448 T CA -0.551 61.632 62.100 0.138 0.000 0.989 448 T CB 1.162 70.077 68.868 0.077 0.000 1.058 448 T HN 0.412 nan 8.240 nan 0.000 0.529 449 M N 0.736 120.444 119.600 0.179 0.000 2.159 449 M HA -0.015 4.465 4.480 0.000 0.000 0.263 449 M C 1.693 178.118 176.300 0.209 0.000 1.063 449 M CA 1.846 57.257 55.300 0.185 0.000 1.110 449 M CB -1.219 31.423 32.600 0.070 0.000 1.374 449 M HN 0.882 nan 8.290 nan 0.000 0.411 450 D N -0.021 120.466 120.400 0.145 0.000 2.123 450 D HA -0.203 4.437 4.640 0.000 0.000 0.196 450 D C 1.403 177.799 176.300 0.161 0.000 0.992 450 D CA 1.694 55.771 54.000 0.128 0.000 0.833 450 D CB -0.202 40.646 40.800 0.079 0.000 0.954 450 D HN 0.455 nan 8.370 nan 0.000 0.455 451 D N -0.666 119.815 120.400 0.135 0.000 2.104 451 D HA -0.188 4.453 4.640 0.000 0.000 0.194 451 D C 2.061 178.415 176.300 0.091 0.000 0.994 451 D CA 0.809 54.858 54.000 0.082 0.000 0.830 451 D CB -0.525 40.256 40.800 -0.032 0.000 0.959 451 D HN 0.345 nan 8.370 nan 0.000 0.452 452 F N 1.109 121.113 119.950 0.090 0.000 2.171 452 F HA -0.053 4.474 4.527 0.000 0.000 0.300 452 F C 2.661 178.489 175.800 0.047 0.000 1.090 452 F CA 0.867 58.902 58.000 0.058 0.000 1.293 452 F CB -0.094 38.917 39.000 0.018 0.000 1.013 452 F HN -0.197 nan 8.300 nan 0.000 0.486 453 R N -1.388 119.261 120.500 0.247 0.000 2.148 453 R HA -0.217 4.123 4.340 0.000 0.000 0.227 453 R C 2.002 178.376 176.300 0.124 0.000 1.103 453 R CA 1.434 57.621 56.100 0.144 0.000 0.983 453 R CB -0.601 29.768 30.300 0.115 0.000 0.874 453 R HN 0.413 nan 8.270 nan 0.000 0.451 454 W N 0.746 122.057 121.300 0.017 0.000 2.418 454 W HA -0.057 4.604 4.660 0.001 0.000 0.292 454 W C 2.113 178.621 176.519 -0.017 0.000 1.213 454 W CA 1.476 58.817 57.345 -0.006 0.000 1.283 454 W CB -0.166 29.282 29.460 -0.021 0.000 1.119 454 W HN 0.046 nan 8.180 nan 0.000 0.542 455 A N 0.106 122.959 122.820 0.056 0.000 1.902 455 A HA -0.171 4.150 4.320 0.000 0.000 0.217 455 A C 2.006 179.497 177.584 -0.154 0.000 1.181 455 A CA 1.720 53.704 52.037 -0.088 0.000 0.623 455 A CB -1.042 17.934 19.000 -0.041 0.000 0.818 455 A HN 0.350 nan 8.150 nan 0.000 0.443 456 L N 0.496 121.674 121.223 -0.075 0.000 2.083 456 L HA -0.185 4.155 4.340 0.000 0.000 0.209 456 L C 3.004 179.798 176.870 -0.127 0.000 1.083 456 L CA 1.579 56.371 54.840 -0.081 0.000 0.752 456 L CB -0.349 41.683 42.059 -0.045 0.000 0.899 456 L HN 0.615 nan 8.230 nan 0.000 0.433 457 S N -1.207 114.375 115.700 -0.196 0.000 2.419 457 S HA -0.193 4.277 4.470 0.000 0.000 0.233 457 S C 1.807 176.239 174.600 -0.280 0.000 1.016 457 S CA 0.823 58.886 58.200 -0.229 0.000 0.974 457 S CB -0.180 62.852 63.200 -0.281 0.000 0.786 457 S HN 0.443 nan 8.310 nan 0.000 0.492 458 Q N 0.780 120.351 119.800 -0.383 0.000 2.396 458 Q HA 0.355 4.696 4.340 0.000 0.000 0.209 458 Q C 0.958 176.853 176.000 -0.175 0.000 0.906 458 Q CA 0.067 55.659 55.803 -0.352 0.000 0.927 458 Q CB -0.086 28.315 28.738 -0.562 0.000 1.069 458 Q HN 0.534 nan 8.270 nan 0.000 0.523 459 S N 1.212 116.852 115.700 -0.100 0.000 2.587 459 S HA 0.119 4.589 4.470 0.000 0.000 0.260 459 S C 0.048 174.655 174.600 0.011 0.000 1.353 459 S CA -0.092 58.122 58.200 0.023 0.000 0.995 459 S CB 0.340 63.653 63.200 0.189 0.000 0.912 459 S HN 0.254 nan 8.310 nan 0.000 0.568 460 N N 1.237 119.920 118.700 -0.028 0.000 2.369 460 N HA 0.378 5.118 4.740 0.000 0.000 0.287 460 N C -2.925 172.445 175.510 -0.233 0.000 1.067 460 N CA -1.186 51.802 53.050 -0.103 0.000 0.888 460 N CB 1.915 40.357 38.487 -0.075 0.000 1.616 460 N HN 0.400 nan 8.380 nan 0.000 0.482 461 P HA 0.145 nan 4.420 nan 0.000 0.276 461 P C -0.043 177.177 177.300 -0.133 0.000 1.244 461 P CA 0.163 63.141 63.100 -0.203 0.000 0.801 461 P CB 0.722 32.362 31.700 -0.100 0.000 1.006 462 S N 0.000 115.630 115.700 -0.117 0.000 2.498 462 S HA 0.000 4.470 4.470 0.000 0.000 0.327 462 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 462 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 462 S HN 0.000 nan 8.310 nan 0.000 0.517