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 2wls_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.620 176.600 0.034 0.000 1.382 4 E CA 0.000 56.415 56.400 0.026 0.000 0.976 4 E CB 0.000 29.714 29.700 0.024 0.000 0.812 5 D N 5.176 125.603 120.400 0.045 0.000 2.382 5 D HA 0.112 4.776 4.640 0.040 0.000 0.259 5 D C -1.561 174.773 176.300 0.056 0.000 1.224 5 D CA -1.851 52.187 54.000 0.064 0.000 0.894 5 D CB 1.462 42.324 40.800 0.103 0.000 1.127 5 D HN 0.245 nan 8.370 nan 0.000 0.487 6 P HA -0.088 nan 4.420 nan 0.000 0.221 6 P C 1.215 178.523 177.300 0.014 0.000 1.150 6 P CA 0.580 63.692 63.100 0.020 0.000 0.800 6 P CB 0.358 32.060 31.700 0.003 0.000 0.787 7 Q N -0.519 119.272 119.800 -0.015 0.000 2.226 7 Q HA -0.012 4.352 4.340 0.040 0.000 0.204 7 Q C 1.497 177.541 176.000 0.073 0.000 0.975 7 Q CA 1.033 56.791 55.803 -0.077 0.000 0.866 7 Q CB -0.479 28.030 28.738 -0.382 0.000 0.915 7 Q HN 0.375 nan 8.270 nan 0.000 0.440 8 L N 0.345 121.635 121.223 0.111 0.000 2.783 8 L HA 0.262 4.626 4.340 0.040 0.000 0.236 8 L C 0.097 177.111 176.870 0.240 0.000 1.225 8 L CA -0.133 54.797 54.840 0.149 0.000 1.026 8 L CB 0.170 42.256 42.059 0.045 0.000 1.314 8 L HN -0.043 nan 8.230 nan 0.000 0.489 9 L N 0.443 121.786 121.223 0.199 0.000 2.381 9 L HA 0.649 5.013 4.340 0.040 0.000 0.274 9 L C -0.967 175.930 176.870 0.045 0.000 0.988 9 L CA -0.520 54.404 54.840 0.140 0.000 0.824 9 L CB 2.571 44.672 42.059 0.070 0.000 1.263 9 L HN -0.205 nan 8.230 nan 0.000 0.410 10 V N 3.233 123.136 119.914 -0.019 0.000 2.925 10 V HA 0.509 4.653 4.120 0.040 0.000 0.311 10 V C -0.658 175.347 176.094 -0.149 0.000 1.104 10 V CA -0.832 61.318 62.300 -0.250 0.000 0.954 10 V CB 2.449 33.813 31.823 -0.765 0.000 1.022 10 V HN 0.702 nan 8.190 nan 0.000 0.427 11 R N 2.520 122.909 120.500 -0.184 0.000 2.288 11 R HA 0.730 5.094 4.340 0.040 0.000 0.326 11 R C -0.659 175.560 176.300 -0.136 0.000 0.959 11 R CA -0.323 55.711 56.100 -0.110 0.000 0.834 11 R CB 1.485 31.726 30.300 -0.098 0.000 1.157 11 R HN 0.768 nan 8.270 nan 0.000 0.470 12 V N 1.783 121.666 119.914 -0.051 0.000 3.302 12 V HA 0.454 4.598 4.120 0.040 0.000 0.316 12 V C 1.115 177.136 176.094 -0.122 0.000 1.111 12 V CA -0.747 61.524 62.300 -0.048 0.000 1.029 12 V CB 1.599 33.526 31.823 0.174 0.000 1.170 12 V HN 0.813 nan 8.190 nan 0.000 0.452 13 R N 0.735 121.151 120.500 -0.139 0.000 2.193 13 R HA 0.008 4.372 4.340 0.040 0.000 0.229 13 R C 1.869 178.018 176.300 -0.252 0.000 1.110 13 R CA 1.307 57.309 56.100 -0.163 0.000 0.988 13 R CB -0.561 29.663 30.300 -0.126 0.000 0.871 13 R HN 0.959 nan 8.270 nan 0.000 0.458 14 G N -0.184 108.383 108.800 -0.387 0.000 2.939 14 G HA2 0.327 4.311 3.960 0.040 0.000 0.210 14 G HA3 0.327 4.311 3.960 0.040 0.000 0.210 14 G C 0.463 174.342 174.900 -1.703 0.000 1.160 14 G CA 0.472 45.044 45.100 -0.881 0.000 0.770 14 G HN 0.536 nan 8.290 nan 0.000 0.543 15 G N -0.871 107.262 108.800 -1.112 0.000 2.278 15 G HA2 0.091 4.075 3.960 0.040 0.000 0.265 15 G HA3 0.091 4.075 3.960 0.040 0.000 0.265 15 G C -1.269 173.525 174.900 -0.175 0.000 1.329 15 G CA -0.892 43.691 45.100 -0.862 0.000 1.017 15 G HN 0.292 nan 8.290 nan 0.000 0.472 16 Q N -0.439 119.476 119.800 0.191 0.000 2.235 16 Q HA 0.747 5.111 4.340 0.040 0.000 0.256 16 Q C -0.696 175.583 176.000 0.464 0.000 0.951 16 Q CA -0.538 55.433 55.803 0.280 0.000 0.890 16 Q CB 2.203 31.037 28.738 0.160 0.000 1.279 16 Q HN 0.474 nan 8.270 nan 0.000 0.444 17 L N 1.276 122.686 121.223 0.311 0.000 2.381 17 L HA 0.620 4.984 4.340 0.040 0.000 0.268 17 L C -0.540 176.485 176.870 0.258 0.000 0.997 17 L CA -0.780 54.242 54.840 0.303 0.000 0.818 17 L CB 2.286 44.557 42.059 0.354 0.000 1.310 17 L HN 0.440 nan 8.230 nan 0.000 0.416 18 R N 1.022 121.658 120.500 0.226 0.000 2.409 18 R HA 0.627 4.991 4.340 0.040 0.000 0.313 18 R C -0.180 176.218 176.300 0.164 0.000 0.953 18 R CA -0.326 55.891 56.100 0.195 0.000 0.849 18 R CB 1.615 31.974 30.300 0.097 0.000 1.171 18 R HN 0.821 nan 8.270 nan 0.000 0.458 19 G N 3.479 112.358 108.800 0.131 0.000 2.509 19 G HA2 0.401 4.385 3.960 0.040 0.000 0.269 19 G HA3 0.401 4.385 3.960 0.040 0.000 0.269 19 G C -0.703 174.015 174.900 -0.304 0.000 1.416 19 G CA -0.631 44.251 45.100 -0.364 0.000 1.052 19 G HN 0.630 nan 8.290 nan 0.000 0.542 20 I N -1.152 119.176 120.570 -0.403 0.000 2.692 20 I HA 0.495 4.689 4.170 0.040 0.000 0.293 20 I C -0.291 175.700 176.117 -0.209 0.000 1.200 20 I CA -1.056 60.105 61.300 -0.233 0.000 1.036 20 I CB 2.108 39.984 38.000 -0.208 0.000 1.258 20 I HN 0.550 nan 8.210 nan 0.000 0.421 21 R N 7.500 127.927 120.500 -0.122 0.000 2.347 21 R HA 0.538 4.902 4.340 0.040 0.000 0.304 21 R C -1.740 174.471 176.300 -0.149 0.000 1.072 21 R CA -0.143 55.880 56.100 -0.129 0.000 0.980 21 R CB 0.681 30.852 30.300 -0.216 0.000 0.986 21 R HN 0.716 nan 8.270 nan 0.000 0.448 22 L N 3.104 124.252 121.223 -0.125 0.000 2.319 22 L HA 0.449 4.813 4.340 0.040 0.000 0.267 22 L C -0.484 176.319 176.870 -0.111 0.000 1.011 22 L CA -1.346 53.434 54.840 -0.099 0.000 0.818 22 L CB 1.911 43.945 42.059 -0.042 0.000 1.316 22 L HN 0.515 nan 8.230 nan 0.000 0.432 23 K N 1.890 122.229 120.400 -0.102 0.000 2.234 23 K HA 0.627 4.971 4.320 0.040 0.000 0.277 23 K C -0.855 175.679 176.600 -0.109 0.000 1.038 23 K CA -0.145 56.084 56.287 -0.098 0.000 0.888 23 K CB 1.341 33.795 32.500 -0.077 0.000 1.091 23 K HN 0.586 nan 8.250 nan 0.000 0.467 24 A N 5.992 128.751 122.820 -0.102 0.000 2.340 24 A HA 0.543 4.887 4.320 0.040 0.000 0.331 24 A C -1.906 175.666 177.584 -0.020 0.000 1.140 24 A CA -1.787 50.180 52.037 -0.117 0.000 0.801 24 A CB 0.849 19.770 19.000 -0.132 0.000 1.234 24 A HN 0.656 nan 8.150 nan 0.000 0.469 25 P HA -0.187 nan 4.420 nan 0.000 0.218 25 P C 1.142 178.468 177.300 0.044 0.000 1.152 25 P CA 2.299 65.441 63.100 0.069 0.000 0.857 25 P CB 0.284 32.063 31.700 0.131 0.000 0.787 26 G N -2.469 106.358 108.800 0.046 0.000 3.502 26 G HA2 0.507 4.491 3.960 0.040 0.000 0.267 26 G HA3 0.507 4.491 3.960 0.040 0.000 0.267 26 G C 0.315 175.228 174.900 0.023 0.000 1.090 26 G CA 0.319 45.440 45.100 0.035 0.000 0.795 26 G HN 0.578 nan 8.290 nan 0.000 0.535 27 G N -0.187 108.616 108.800 0.005 0.000 2.337 27 G HA2 0.425 4.409 3.960 0.040 0.000 0.298 27 G HA3 0.425 4.409 3.960 0.040 0.000 0.298 27 G C -3.546 171.331 174.900 -0.039 0.000 1.335 27 G CA -0.710 44.387 45.100 -0.006 0.000 0.875 27 G HN 0.052 nan 8.290 nan 0.000 0.579 28 P HA 0.624 nan 4.420 nan 0.000 0.285 28 P C -0.300 176.990 177.300 -0.016 0.000 1.269 28 P CA -0.596 62.416 63.100 -0.146 0.000 0.844 28 P CB 1.974 33.430 31.700 -0.407 0.000 1.094 29 V N -1.662 118.256 119.914 0.008 0.000 2.876 29 V HA 0.617 4.761 4.120 0.040 0.000 0.312 29 V C -0.301 175.903 176.094 0.183 0.000 1.085 29 V CA -0.873 61.521 62.300 0.157 0.000 0.945 29 V CB 1.662 33.575 31.823 0.150 0.000 1.017 29 V HN 0.433 nan 8.190 nan 0.000 0.428 30 S N 2.429 118.294 115.700 0.275 0.000 2.499 30 S HA 0.787 5.281 4.470 0.040 0.000 0.275 30 S C 0.151 174.712 174.600 -0.065 0.000 1.257 30 S CA 0.105 58.373 58.200 0.113 0.000 1.050 30 S CB 1.057 64.382 63.200 0.208 0.000 0.937 30 S HN 1.576 nan 8.310 nan 0.000 0.490 31 A N 2.958 125.536 122.820 -0.403 0.000 2.343 31 A HA 0.784 5.128 4.320 0.040 0.000 0.316 31 A C -1.096 176.022 177.584 -0.777 0.000 1.104 31 A CA -0.681 51.043 52.037 -0.521 0.000 0.768 31 A CB 0.438 19.148 19.000 -0.483 0.000 1.213 31 A HN 0.686 nan 8.150 nan 0.000 0.456 32 F N 3.087 122.889 119.950 -0.246 0.000 2.443 32 F HA 0.438 4.989 4.527 0.040 0.000 0.369 32 F C -0.214 175.413 175.800 -0.289 0.000 1.090 32 F CA -0.376 57.546 58.000 -0.131 0.000 1.129 32 F CB 1.025 40.120 39.000 0.159 0.000 1.367 32 F HN 0.343 nan 8.300 nan 0.000 0.465 33 L N 1.998 123.063 121.223 -0.263 0.000 2.322 33 L HA 0.739 5.103 4.340 0.040 0.000 0.279 33 L C 0.998 177.756 176.870 -0.187 0.000 1.036 33 L CA -0.932 53.698 54.840 -0.349 0.000 0.807 33 L CB 1.455 43.107 42.059 -0.678 0.000 1.226 33 L HN 0.816 nan 8.230 nan 0.000 0.433 34 G N 2.934 111.677 108.800 -0.095 0.000 2.182 34 G HA2 -0.241 3.743 3.960 0.040 0.000 0.248 34 G HA3 -0.241 3.743 3.960 0.040 0.000 0.248 34 G C -0.127 174.758 174.900 -0.026 0.000 1.042 34 G CA -0.430 44.601 45.100 -0.115 0.000 0.775 34 G HN 0.492 nan 8.290 nan 0.000 0.501 35 I N 1.538 122.141 120.570 0.055 0.000 2.471 35 I HA 0.238 4.432 4.170 0.040 0.000 0.286 35 I C -1.715 174.488 176.117 0.144 0.000 1.079 35 I CA -2.141 59.189 61.300 0.050 0.000 1.398 35 I CB 1.029 38.996 38.000 -0.055 0.000 1.403 35 I HN -0.070 nan 8.210 nan 0.000 0.530 36 P HA 0.067 nan 4.420 nan 0.000 0.276 36 P C -0.190 177.049 177.300 -0.102 0.000 1.243 36 P CA -0.039 62.981 63.100 -0.133 0.000 0.768 36 P CB 0.280 31.921 31.700 -0.098 0.000 0.856 37 F N 1.190 120.993 119.950 -0.245 0.000 2.706 37 F HA 0.765 5.316 4.527 0.040 0.000 0.313 37 F C 0.056 175.850 175.800 -0.010 0.000 1.096 37 F CA -0.846 57.067 58.000 -0.145 0.000 1.219 37 F CB 0.134 38.936 39.000 -0.330 0.000 1.051 37 F HN 0.292 nan 8.300 nan 0.000 0.568 38 A N 0.091 122.640 122.820 -0.452 0.000 2.594 38 A HA 0.543 4.887 4.320 0.040 0.000 0.295 38 A C -0.850 176.574 177.584 -0.266 0.000 1.071 38 A CA -0.795 51.081 52.037 -0.268 0.000 0.685 38 A CB 0.925 19.720 19.000 -0.342 0.000 1.285 38 A HN 0.061 nan 8.150 nan 0.000 0.405 39 E N 1.593 121.722 120.200 -0.119 0.000 2.558 39 E HA 0.140 4.514 4.350 0.040 0.000 0.255 39 E C -2.245 174.257 176.600 -0.163 0.000 0.968 39 E CA -0.966 55.373 56.400 -0.101 0.000 0.939 39 E CB -0.198 29.479 29.700 -0.038 0.000 0.921 39 E HN 0.250 nan 8.360 nan 0.000 0.477 40 P HA -0.029 nan 4.420 nan 0.000 0.260 40 P C -2.241 174.980 177.300 -0.131 0.000 1.172 40 P CA -0.614 62.382 63.100 -0.173 0.000 0.760 40 P CB -0.082 31.553 31.700 -0.109 0.000 0.773 41 P HA 0.035 nan 4.420 nan 0.000 0.220 41 P C -0.428 176.798 177.300 -0.124 0.000 1.778 41 P CA 0.031 63.062 63.100 -0.115 0.000 0.912 41 P CB -0.141 31.491 31.700 -0.113 0.000 1.861 42 V N -3.597 116.251 119.914 -0.110 0.000 2.994 42 V HA 0.918 5.062 4.120 0.040 0.000 0.318 42 V C 1.062 177.099 176.094 -0.094 0.000 1.085 42 V CA 0.073 62.304 62.300 -0.116 0.000 0.998 42 V CB 0.907 32.669 31.823 -0.101 0.000 1.063 42 V HN 0.506 nan 8.190 nan 0.000 0.447 43 G N 2.618 111.359 108.800 -0.098 0.000 2.675 43 G HA2 -0.362 3.621 3.960 0.040 0.000 0.312 43 G HA3 -0.362 3.621 3.960 0.040 0.000 0.312 43 G C 1.244 176.103 174.900 -0.070 0.000 1.186 43 G CA 1.652 46.709 45.100 -0.072 0.000 0.965 43 G HN 2.338 nan 8.290 nan 0.000 0.548 44 S N 0.447 116.122 115.700 -0.042 0.000 2.548 44 S HA 0.232 4.726 4.470 0.040 0.000 0.215 44 S C 1.900 176.488 174.600 -0.021 0.000 0.976 44 S CA 1.101 59.289 58.200 -0.020 0.000 0.908 44 S CB 0.189 63.387 63.200 -0.002 0.000 0.781 44 S HN 0.538 nan 8.310 nan 0.000 0.519 45 R N 1.444 121.917 120.500 -0.046 0.000 2.276 45 R HA 0.221 4.585 4.340 0.040 0.000 0.196 45 R C 0.930 177.185 176.300 -0.075 0.000 0.961 45 R CA -0.063 56.012 56.100 -0.042 0.000 1.024 45 R CB -0.433 29.838 30.300 -0.048 0.000 0.940 45 R HN 0.528 nan 8.270 nan 0.000 0.480 46 R N 0.795 121.202 120.500 -0.155 0.000 2.538 46 R HA -0.140 4.224 4.340 0.040 0.000 0.282 46 R C -0.321 175.784 176.300 -0.326 0.000 1.009 46 R CA 0.533 56.427 56.100 -0.344 0.000 1.063 46 R CB 0.059 30.036 30.300 -0.538 0.000 0.945 46 R HN 0.070 nan 8.270 nan 0.000 0.414 47 F N -0.481 119.479 119.950 0.017 0.000 2.656 47 F HA -0.267 4.284 4.527 0.040 0.000 0.381 47 F C -0.084 175.706 175.800 -0.017 0.000 0.603 47 F CA 0.478 58.466 58.000 -0.020 0.000 1.335 47 F CB -1.477 37.502 39.000 -0.034 0.000 1.836 47 F HN 0.464 nan 8.300 nan 0.000 0.290 48 M N 0.956 120.623 119.600 0.112 0.000 2.409 48 M HA 0.425 4.929 4.480 0.040 0.000 0.329 48 M C -1.987 174.345 176.300 0.052 0.000 1.180 48 M CA -1.729 53.617 55.300 0.077 0.000 1.053 48 M CB 0.735 33.365 32.600 0.050 0.000 1.586 48 M HN -0.355 nan 8.290 nan 0.000 0.461 49 P HA 0.125 nan 4.420 nan 0.000 0.266 49 P C -2.438 174.894 177.300 0.052 0.000 1.195 49 P CA -0.519 62.617 63.100 0.061 0.000 0.768 49 P CB -0.556 31.187 31.700 0.072 0.000 0.838 50 P HA 0.162 nan 4.420 nan 0.000 0.271 50 P C -0.647 176.688 177.300 0.059 0.000 1.218 50 P CA -0.015 63.114 63.100 0.048 0.000 0.780 50 P CB 0.649 32.401 31.700 0.087 0.000 0.901 51 E N 2.909 123.131 120.200 0.036 0.000 2.207 51 E HA 0.395 4.769 4.350 0.040 0.000 0.270 51 E C -2.323 174.316 176.600 0.066 0.000 0.927 51 E CA -2.592 53.839 56.400 0.052 0.000 0.799 51 E CB 0.390 30.112 29.700 0.036 0.000 1.172 51 E HN 0.364 nan 8.360 nan 0.000 0.404 52 P HA -0.058 nan 4.420 nan 0.000 0.265 52 P C -0.482 176.890 177.300 0.120 0.000 1.193 52 P CA -0.181 63.004 63.100 0.142 0.000 0.765 52 P CB 0.536 32.324 31.700 0.148 0.000 0.823 53 K N 4.044 124.532 120.400 0.146 0.000 2.524 53 K HA -0.035 4.309 4.320 0.040 0.000 0.279 53 K C 0.259 176.975 176.600 0.193 0.000 0.993 53 K CA 0.463 56.840 56.287 0.150 0.000 1.030 53 K CB 0.150 32.775 32.500 0.207 0.000 0.891 53 K HN 0.298 nan 8.250 nan 0.000 0.488 54 R N 4.837 125.437 120.500 0.167 0.000 2.539 54 R HA 0.193 4.557 4.340 0.040 0.000 0.275 54 R C -1.992 174.443 176.300 0.225 0.000 1.077 54 R CA -1.736 54.455 56.100 0.152 0.000 1.097 54 R CB 0.107 30.474 30.300 0.112 0.000 1.018 54 R HN 0.589 nan 8.270 nan 0.000 0.483 55 P HA -0.139 nan 4.420 nan 0.000 0.267 55 P C -1.253 176.121 177.300 0.124 0.000 1.195 55 P CA 0.456 63.526 63.100 -0.050 0.000 0.773 55 P CB 0.282 31.927 31.700 -0.092 0.000 0.837 56 W N 0.335 121.669 121.300 0.056 0.000 3.032 56 W HA 0.626 5.310 4.660 0.040 0.000 0.335 56 W C -0.918 175.626 176.519 0.042 0.000 1.154 56 W CA -1.048 56.327 57.345 0.050 0.000 1.204 56 W CB 0.073 29.570 29.460 0.062 0.000 1.416 56 W HN 0.372 nan 8.180 nan 0.000 0.521 57 S N 2.285 118.145 115.700 0.267 0.000 2.601 57 S HA 0.773 5.267 4.470 0.040 0.000 0.271 57 S C 0.679 175.426 174.600 0.245 0.000 1.305 57 S CA 0.279 58.574 58.200 0.159 0.000 1.022 57 S CB 0.820 64.087 63.200 0.111 0.000 0.940 57 S HN 2.284 nan 8.310 nan 0.000 0.525 58 G N 0.464 109.357 108.800 0.156 0.000 2.562 58 G HA2 -0.180 3.804 3.960 0.040 0.000 0.250 58 G HA3 -0.180 3.804 3.960 0.040 0.000 0.250 58 G C -0.619 174.421 174.900 0.233 0.000 1.269 58 G CA -0.250 44.944 45.100 0.158 0.000 0.919 58 G HN 1.665 nan 8.290 nan 0.000 0.574 59 V N 0.846 120.874 119.914 0.190 0.000 2.334 59 V HA 0.511 4.655 4.120 0.040 0.000 0.281 59 V C 0.512 176.699 176.094 0.155 0.000 1.016 59 V CA -0.358 62.061 62.300 0.199 0.000 0.832 59 V CB 1.151 33.048 31.823 0.124 0.000 0.999 59 V HN 0.825 nan 8.190 nan 0.000 0.439 60 L N 4.837 126.166 121.223 0.175 0.000 2.418 60 L HA 0.306 4.670 4.340 0.040 0.000 0.274 60 L C 0.393 177.249 176.870 -0.023 0.000 1.135 60 L CA 0.212 55.004 54.840 -0.080 0.000 0.870 60 L CB 0.662 42.433 42.059 -0.479 0.000 1.154 60 L HN 0.775 nan 8.230 nan 0.000 0.462 61 D N 4.743 125.111 120.400 -0.054 0.000 2.346 61 D HA 0.306 4.970 4.640 0.040 0.000 0.260 61 D C -0.123 176.136 176.300 -0.069 0.000 1.252 61 D CA 0.309 54.284 54.000 -0.042 0.000 0.895 61 D CB 0.948 41.714 40.800 -0.058 0.000 1.097 61 D HN 0.638 nan 8.370 nan 0.000 0.489 62 A N 3.437 126.244 122.820 -0.022 0.000 3.219 62 A HA 0.346 4.690 4.320 0.040 0.000 0.314 62 A C 0.841 178.364 177.584 -0.102 0.000 1.081 62 A CA -0.224 51.797 52.037 -0.027 0.000 0.995 62 A CB -0.216 18.863 19.000 0.130 0.000 1.067 62 A HN 0.604 nan 8.150 nan 0.000 0.533 63 T N -4.028 110.432 114.554 -0.156 0.000 3.043 63 T HA 0.333 4.707 4.350 0.040 0.000 0.272 63 T C 0.443 174.984 174.700 -0.264 0.000 0.990 63 T CA 0.536 62.510 62.100 -0.210 0.000 0.897 63 T CB 0.269 69.044 68.868 -0.155 0.000 1.111 63 T HN 0.370 nan 8.240 nan 0.000 0.529 64 T N 0.580 114.975 114.554 -0.265 0.000 2.896 64 T HA 0.621 4.994 4.350 0.040 0.000 0.297 64 T C -1.505 173.027 174.700 -0.281 0.000 1.108 64 T CA -0.749 61.181 62.100 -0.282 0.000 1.004 64 T CB 0.763 69.534 68.868 -0.161 0.000 1.159 64 T HN 0.078 nan 8.240 nan 0.000 0.499 65 F N 3.067 122.948 119.950 -0.115 0.000 2.563 65 F HA 0.303 4.855 4.527 0.040 0.000 0.363 65 F C 1.459 177.165 175.800 -0.157 0.000 1.123 65 F CA -0.056 57.878 58.000 -0.110 0.000 1.307 65 F CB 0.553 39.516 39.000 -0.060 0.000 1.115 65 F HN 0.427 nan 8.300 nan 0.000 0.592 66 Q N 1.287 121.106 119.800 0.031 0.000 2.177 66 Q HA 0.194 4.558 4.340 0.040 0.000 0.183 66 Q C -0.182 175.776 176.000 -0.070 0.000 1.040 66 Q CA -0.686 55.005 55.803 -0.188 0.000 1.089 66 Q CB 0.413 28.812 28.738 -0.566 0.000 1.130 66 Q HN 0.478 nan 8.270 nan 0.000 0.575 67 N N -0.115 118.531 118.700 -0.090 0.000 2.492 67 N HA 0.046 4.810 4.740 0.040 0.000 0.260 67 N C -0.664 174.847 175.510 0.002 0.000 1.215 67 N CA 0.053 53.085 53.050 -0.030 0.000 0.923 67 N CB 0.451 38.931 38.487 -0.013 0.000 1.092 67 N HN 0.164 nan 8.380 nan 0.000 0.448 68 V N 2.304 122.189 119.914 -0.049 0.000 2.572 68 V HA -0.008 4.136 4.120 0.040 0.000 0.291 68 V C 0.757 176.810 176.094 -0.067 0.000 1.039 68 V CA -0.697 61.557 62.300 -0.078 0.000 1.055 68 V CB 0.436 32.175 31.823 -0.140 0.000 0.969 68 V HN 0.700 nan 8.190 nan 0.000 0.482 69 c N 5.115 123.686 118.600 -0.048 0.000 2.563 69 c HA 0.027 4.621 4.570 0.040 0.000 0.411 69 c C 0.586 174.632 174.090 -0.073 0.000 1.386 69 c CA -0.466 55.837 56.329 -0.045 0.000 1.703 69 c CB -1.132 41.368 42.510 -0.017 0.000 2.596 69 c HN 0.753 nan 8.230 nan 0.000 0.605 70 Y N 4.442 124.608 120.300 -0.223 0.000 2.729 70 Y HA 0.217 4.791 4.550 0.040 0.000 0.331 70 Y C 0.778 176.684 175.900 0.009 0.000 1.208 70 Y CA 1.039 59.002 58.100 -0.229 0.000 1.521 70 Y CB 0.062 38.173 38.460 -0.582 0.000 1.233 70 Y HN 0.743 nan 8.280 nan 0.000 0.539 71 Q N 4.456 124.205 119.800 -0.084 0.000 2.522 71 Q HA 0.220 4.584 4.340 0.040 0.000 0.285 71 Q C -1.679 174.417 176.000 0.160 0.000 0.982 71 Q CA -1.211 54.698 55.803 0.177 0.000 0.805 71 Q CB 1.209 30.009 28.738 0.103 0.000 1.457 71 Q HN 0.659 nan 8.270 nan 0.000 0.394 72 Y N 1.135 121.585 120.300 0.250 0.000 2.788 72 Y HA 0.275 4.848 4.550 0.040 0.000 0.341 72 Y C -0.975 175.064 175.900 0.232 0.000 1.258 72 Y CA 0.517 58.790 58.100 0.288 0.000 1.503 72 Y CB 0.776 39.518 38.460 0.470 0.000 1.325 72 Y HN 0.445 nan 8.280 nan 0.000 0.614 73 V N 6.205 125.768 119.914 -0.586 0.000 2.555 73 V HA 0.151 4.295 4.120 0.040 0.000 0.302 73 V C -0.666 175.060 176.094 -0.613 0.000 1.038 73 V CA -1.057 60.992 62.300 -0.419 0.000 0.887 73 V CB 1.743 33.419 31.823 -0.245 0.000 0.991 73 V HN 0.790 nan 8.190 nan 0.000 0.434 74 D N 2.283 122.591 120.400 -0.154 0.000 2.345 74 D HA 0.391 5.055 4.640 0.040 0.000 0.247 74 D C 0.934 177.267 176.300 0.055 0.000 1.108 74 D CA 0.550 54.597 54.000 0.077 0.000 0.894 74 D CB 1.496 42.495 40.800 0.332 0.000 1.203 74 D HN 0.797 nan 8.370 nan 0.000 0.430 75 T N 0.558 115.175 114.554 0.104 0.000 3.058 75 T HA 0.011 4.385 4.350 0.040 0.000 0.278 75 T C 1.549 176.266 174.700 0.028 0.000 0.974 75 T CA -0.385 61.750 62.100 0.058 0.000 0.893 75 T CB -0.179 68.713 68.868 0.040 0.000 1.138 75 T HN 0.268 nan 8.240 nan 0.000 0.529 76 L N 0.815 122.048 121.223 0.016 0.000 2.043 76 L HA 0.126 4.490 4.340 0.040 0.000 0.212 76 L C -0.023 176.586 176.870 -0.435 0.000 1.075 76 L CA 1.744 56.414 54.840 -0.284 0.000 0.752 76 L CB -0.408 41.334 42.059 -0.529 0.000 0.891 76 L HN 0.445 nan 8.230 nan 0.000 0.432 77 Y N -0.772 119.569 120.300 0.068 0.000 2.490 77 Y HA 0.403 4.977 4.550 0.040 0.000 0.346 77 Y C -2.257 173.699 175.900 0.094 0.000 1.023 77 Y CA -3.543 54.590 58.100 0.056 0.000 1.142 77 Y CB -0.304 38.211 38.460 0.091 0.000 1.126 77 Y HN 0.076 nan 8.280 nan 0.000 0.647 78 P HA 0.130 nan 4.420 nan 0.000 0.262 78 P C 1.114 178.477 177.300 0.106 0.000 1.182 78 P CA 1.742 64.907 63.100 0.108 0.000 0.761 78 P CB 0.861 32.595 31.700 0.058 0.000 0.795 79 G N 2.610 111.455 108.800 0.075 0.000 2.284 79 G HA2 -0.302 3.682 3.960 0.040 0.000 0.247 79 G HA3 -0.302 3.682 3.960 0.040 0.000 0.247 79 G C 0.071 175.011 174.900 0.067 0.000 1.012 79 G CA -0.278 44.849 45.100 0.046 0.000 0.618 79 G HN 0.559 nan 8.290 nan 0.000 0.521 80 F N 3.212 123.121 119.950 -0.069 0.000 2.541 80 F HA 0.436 4.987 4.527 0.040 0.000 0.378 80 F C 1.586 177.279 175.800 -0.179 0.000 1.068 80 F CA -0.060 57.840 58.000 -0.167 0.000 1.199 80 F CB 0.889 39.751 39.000 -0.230 0.000 1.091 80 F HN 0.450 nan 8.300 nan 0.000 0.555 81 E N 4.169 124.013 120.200 -0.592 0.000 2.085 81 E HA -0.152 4.222 4.350 0.040 0.000 0.194 81 E C 2.040 178.125 176.600 -0.858 0.000 0.994 81 E CA 1.490 57.523 56.400 -0.612 0.000 0.801 81 E CB -0.530 28.899 29.700 -0.452 0.000 0.743 81 E HN 0.900 nan 8.360 nan 0.000 0.453 82 G N -0.218 107.524 108.800 -1.763 0.000 2.479 82 G HA2 -0.309 3.675 3.960 0.040 0.000 0.220 82 G HA3 -0.309 3.675 3.960 0.040 0.000 0.220 82 G C 1.624 176.421 174.900 -0.171 0.000 1.115 82 G CA 1.564 45.895 45.100 -1.282 0.000 0.757 82 G HN 0.520 nan 8.290 nan 0.000 0.560 83 T N -3.090 111.343 114.554 -0.201 0.000 2.999 83 T HA 0.181 4.555 4.350 0.040 0.000 0.247 83 T C 1.817 176.645 174.700 0.213 0.000 1.012 83 T CA 0.404 62.754 62.100 0.417 0.000 1.048 83 T CB 0.193 69.380 68.868 0.530 0.000 1.020 83 T HN 0.067 nan 8.240 nan 0.000 0.478 84 E N 2.345 122.521 120.200 -0.041 0.000 2.204 84 E HA -0.036 4.338 4.350 0.040 0.000 0.194 84 E C 2.215 178.699 176.600 -0.193 0.000 0.989 84 E CA 1.152 57.504 56.400 -0.079 0.000 0.824 84 E CB -0.468 29.160 29.700 -0.120 0.000 0.756 84 E HN 0.795 nan 8.360 nan 0.000 0.477 85 M N -2.341 117.037 119.600 -0.370 0.000 2.446 85 M HA -0.074 4.430 4.480 0.040 0.000 0.263 85 M C 1.327 177.175 176.300 -0.752 0.000 1.066 85 M CA 1.415 56.337 55.300 -0.630 0.000 1.087 85 M CB -0.556 31.540 32.600 -0.841 0.000 1.406 85 M HN 0.005 nan 8.290 nan 0.000 0.459 86 W N 0.878 122.117 121.300 -0.102 0.000 2.996 86 W HA 0.271 4.954 4.660 0.039 0.000 0.270 86 W C 0.681 177.124 176.519 -0.126 0.000 1.280 86 W CA -0.939 56.333 57.345 -0.120 0.000 1.549 86 W CB -0.101 29.348 29.460 -0.018 0.000 1.079 86 W HN 0.100 nan 8.180 nan 0.000 0.629 87 N N 1.515 120.246 118.700 0.052 0.000 2.444 87 N HA 0.105 4.869 4.740 0.040 0.000 0.255 87 N C -2.453 172.997 175.510 -0.100 0.000 1.255 87 N CA -1.135 51.912 53.050 -0.005 0.000 0.933 87 N CB -0.065 38.416 38.487 -0.009 0.000 1.143 87 N HN -0.356 nan 8.380 nan 0.000 0.453 88 P HA 0.052 nan 4.420 nan 0.000 0.264 88 P C 0.153 177.362 177.300 -0.152 0.000 1.193 88 P CA 0.030 63.037 63.100 -0.155 0.000 0.763 88 P CB 0.222 31.828 31.700 -0.157 0.000 0.810 89 N N 2.673 121.267 118.700 -0.176 0.000 2.238 89 N HA 0.088 4.852 4.740 0.040 0.000 0.222 89 N C 0.207 175.641 175.510 -0.126 0.000 1.133 89 N CA -0.044 52.911 53.050 -0.158 0.000 0.854 89 N CB 0.272 38.642 38.487 -0.195 0.000 1.041 89 N HN 0.132 nan 8.380 nan 0.000 0.510 90 R N -0.198 120.229 120.500 -0.121 0.000 2.906 90 R HA 0.368 4.732 4.340 0.040 0.000 0.258 90 R C -0.412 175.835 176.300 -0.088 0.000 1.156 90 R CA -0.628 55.420 56.100 -0.087 0.000 0.996 90 R CB 0.339 30.595 30.300 -0.073 0.000 1.259 90 R HN 0.092 nan 8.270 nan 0.000 0.462 91 E N 1.661 121.819 120.200 -0.069 0.000 2.360 91 E HA 0.170 4.544 4.350 0.040 0.000 0.269 91 E C -0.090 176.466 176.600 -0.074 0.000 1.022 91 E CA -0.120 56.241 56.400 -0.064 0.000 0.887 91 E CB 0.570 30.244 29.700 -0.043 0.000 0.990 91 E HN 0.265 nan 8.360 nan 0.000 0.426 92 L N 1.978 123.143 121.223 -0.098 0.000 2.416 92 L HA 0.192 4.556 4.340 0.040 0.000 0.272 92 L C 0.753 177.641 176.870 0.030 0.000 1.161 92 L CA 0.155 54.918 54.840 -0.129 0.000 0.845 92 L CB 0.655 42.471 42.059 -0.404 0.000 1.119 92 L HN 0.375 nan 8.230 nan 0.000 0.464 93 S N 0.966 116.701 115.700 0.057 0.000 2.547 93 S HA 0.206 4.700 4.470 0.040 0.000 0.270 93 S C 0.167 174.756 174.600 -0.018 0.000 1.150 93 S CA -0.688 57.550 58.200 0.064 0.000 0.850 93 S CB 1.697 64.907 63.200 0.017 0.000 1.118 93 S HN 0.736 nan 8.310 nan 0.000 0.461 94 E N 0.845 120.967 120.200 -0.130 0.000 2.358 94 E HA -0.034 4.340 4.350 0.040 0.000 0.195 94 E C -0.375 176.140 176.600 -0.142 0.000 1.010 94 E CA 0.387 56.642 56.400 -0.241 0.000 0.856 94 E CB 0.132 29.624 29.700 -0.346 0.000 0.795 94 E HN 0.534 nan 8.360 nan 0.000 0.504 95 D N 0.409 120.765 120.400 -0.073 0.000 2.483 95 D HA 0.002 4.666 4.640 0.040 0.000 0.220 95 D C 0.090 176.440 176.300 0.084 0.000 1.173 95 D CA -0.312 53.673 54.000 -0.025 0.000 0.964 95 D CB -0.004 40.805 40.800 0.014 0.000 1.046 95 D HN 0.132 nan 8.370 nan 0.000 0.517 96 c N 2.264 120.865 118.600 0.002 0.000 3.911 96 c HA 0.371 4.965 4.570 0.040 0.000 0.318 96 c C 0.768 174.857 174.090 -0.002 0.000 1.643 96 c CA -0.649 55.751 56.329 0.118 0.000 1.845 96 c CB -1.229 41.309 42.510 0.048 0.000 2.981 96 c HN 0.433 nan 8.230 nan 0.000 0.656 97 L N 2.526 123.472 121.223 -0.461 0.000 2.384 97 L HA 0.360 4.724 4.340 0.040 0.000 0.258 97 L C -1.022 175.117 176.870 -1.220 0.000 1.266 97 L CA 0.617 54.986 54.840 -0.785 0.000 1.162 97 L CB -0.816 40.682 42.059 -0.935 0.000 1.375 97 L HN 0.391 nan 8.230 nan 0.000 0.420 98 Y N 1.574 121.811 120.300 -0.105 0.000 2.477 98 Y HA 0.567 5.141 4.550 0.040 0.000 0.347 98 Y C -0.061 176.026 175.900 0.311 0.000 0.981 98 Y CA -1.299 56.833 58.100 0.054 0.000 1.033 98 Y CB 1.915 40.368 38.460 -0.012 0.000 1.245 98 Y HN 0.184 nan 8.280 nan 0.000 0.455 99 L N 0.267 121.695 121.223 0.342 0.000 2.313 99 L HA 0.778 5.142 4.340 0.040 0.000 0.268 99 L C -0.945 175.942 176.870 0.028 0.000 1.010 99 L CA -1.092 53.820 54.840 0.121 0.000 0.814 99 L CB 1.272 43.231 42.059 -0.168 0.000 1.304 99 L HN 0.445 nan 8.230 nan 0.000 0.441 100 N N 0.114 118.834 118.700 0.034 0.000 2.269 100 N HA 0.701 5.465 4.740 0.040 0.000 0.304 100 N C -1.473 173.946 175.510 -0.153 0.000 1.072 100 N CA -0.428 52.544 53.050 -0.130 0.000 0.802 100 N CB 2.756 41.149 38.487 -0.156 0.000 1.348 100 N HN 0.489 nan 8.380 nan 0.000 0.484 101 V N 1.502 121.263 119.914 -0.256 0.000 2.531 101 V HA 0.460 4.604 4.120 0.040 0.000 0.301 101 V C -0.795 175.296 176.094 -0.006 0.000 1.034 101 V CA -0.799 61.472 62.300 -0.048 0.000 0.865 101 V CB 2.079 33.776 31.823 -0.210 0.000 0.995 101 V HN 0.536 nan 8.190 nan 0.000 0.424 102 W N 3.017 124.445 121.300 0.214 0.000 2.573 102 W HA 0.649 5.333 4.660 0.041 0.000 0.326 102 W C 0.289 176.948 176.519 0.234 0.000 1.049 102 W CA -0.463 57.008 57.345 0.209 0.000 1.220 102 W CB 2.422 31.972 29.460 0.151 0.000 1.373 102 W HN 0.654 nan 8.180 nan 0.000 0.507 103 T N -0.027 114.809 114.554 0.470 0.000 2.888 103 T HA 0.598 4.972 4.350 0.040 0.000 0.288 103 T C -2.762 172.119 174.700 0.302 0.000 1.063 103 T CA -2.526 59.797 62.100 0.371 0.000 1.010 103 T CB 2.126 71.232 68.868 0.396 0.000 1.214 103 T HN -0.065 nan 8.240 nan 0.000 0.533 104 P HA 0.264 nan 4.420 nan 0.000 0.272 104 P C -1.634 175.805 177.300 0.231 0.000 1.230 104 P CA -0.288 62.934 63.100 0.202 0.000 0.788 104 P CB 0.112 31.902 31.700 0.149 0.000 0.949 105 Y N 2.853 123.209 120.300 0.093 0.000 2.332 105 Y HA 0.417 4.991 4.550 0.040 0.000 0.326 105 Y C -2.296 173.638 175.900 0.056 0.000 0.978 105 Y CA -2.529 55.616 58.100 0.075 0.000 1.205 105 Y CB 1.299 39.789 38.460 0.050 0.000 1.131 105 Y HN 0.341 nan 8.280 nan 0.000 0.462 106 P HA 0.197 nan 4.420 nan 0.000 0.277 106 P C -0.888 176.363 177.300 -0.082 0.000 1.271 106 P CA -0.614 62.314 63.100 -0.286 0.000 0.795 106 P CB 1.009 32.594 31.700 -0.193 0.000 1.101 107 R N 0.691 121.136 120.500 -0.093 0.000 2.638 107 R HA 0.095 4.459 4.340 0.040 0.000 0.268 107 R C -1.830 174.490 176.300 0.034 0.000 1.006 107 R CA -0.828 55.286 56.100 0.023 0.000 1.088 107 R CB -0.836 29.473 30.300 0.016 0.000 0.950 107 R HN 0.348 nan 8.270 nan 0.000 0.419 108 P HA -0.082 nan 4.420 nan 0.000 0.262 108 P C -0.575 176.747 177.300 0.036 0.000 1.182 108 P CA 0.404 63.539 63.100 0.060 0.000 0.761 108 P CB 0.955 32.703 31.700 0.080 0.000 0.795 109 A N 3.043 125.879 122.820 0.027 0.000 1.897 109 A HA -0.006 4.338 4.320 0.040 0.000 0.215 109 A C 0.901 178.493 177.584 0.015 0.000 1.181 109 A CA 1.367 53.413 52.037 0.015 0.000 0.620 109 A CB -0.651 18.357 19.000 0.012 0.000 0.821 109 A HN 0.607 nan 8.150 nan 0.000 0.443 110 S N -0.463 115.249 115.700 0.019 0.000 2.681 110 S HA 0.578 5.072 4.470 0.040 0.000 0.299 110 S C -3.026 171.589 174.600 0.025 0.000 1.113 110 S CA -1.849 56.360 58.200 0.016 0.000 1.013 110 S CB 0.781 63.988 63.200 0.011 0.000 1.076 110 S HN 0.039 nan 8.310 nan 0.000 0.534 111 P HA 0.132 nan 4.420 nan 0.000 0.257 111 P C -0.604 176.716 177.300 0.033 0.000 1.189 111 P CA 0.400 63.518 63.100 0.030 0.000 0.780 111 P CB -0.348 31.362 31.700 0.016 0.000 0.772 112 T N 6.114 120.700 114.554 0.053 0.000 2.845 112 T HA 0.339 4.713 4.350 0.040 0.000 0.288 112 T C -2.277 172.458 174.700 0.059 0.000 0.980 112 T CA -1.826 60.307 62.100 0.056 0.000 1.071 112 T CB 0.394 69.310 68.868 0.080 0.000 0.941 112 T HN 0.142 nan 8.240 nan 0.000 0.487 113 P HA 0.090 nan 4.420 nan 0.000 0.264 113 P C -0.841 176.503 177.300 0.073 0.000 1.183 113 P CA -0.117 63.007 63.100 0.040 0.000 0.763 113 P CB 0.316 32.022 31.700 0.011 0.000 0.807 114 V N 4.990 124.961 119.914 0.096 0.000 2.435 114 V HA 0.325 4.469 4.120 0.040 0.000 0.290 114 V C 0.390 176.557 176.094 0.122 0.000 1.030 114 V CA -0.518 61.857 62.300 0.125 0.000 0.881 114 V CB 1.170 33.080 31.823 0.145 0.000 0.983 114 V HN 0.356 nan 8.190 nan 0.000 0.445 115 L N 5.564 126.865 121.223 0.131 0.000 2.317 115 L HA 0.612 4.976 4.340 0.040 0.000 0.281 115 L C -0.610 176.457 176.870 0.327 0.000 1.024 115 L CA -0.331 54.584 54.840 0.124 0.000 0.810 115 L CB 1.700 43.719 42.059 -0.066 0.000 1.240 115 L HN 0.504 nan 8.230 nan 0.000 0.427 116 I N 2.725 123.545 120.570 0.417 0.000 2.410 116 I HA 0.215 4.409 4.170 0.040 0.000 0.286 116 I C -0.741 175.721 176.117 0.574 0.000 1.009 116 I CA -0.450 61.105 61.300 0.424 0.000 1.111 116 I CB 1.509 39.620 38.000 0.186 0.000 1.262 116 I HN 0.630 nan 8.210 nan 0.000 0.443 117 W N 8.496 129.965 121.300 0.281 0.000 2.365 117 W HA 0.585 5.268 4.660 0.039 0.000 0.316 117 W C -1.560 174.863 176.519 -0.161 0.000 1.164 117 W CA -0.564 56.672 57.345 -0.180 0.000 1.204 117 W CB 1.195 30.565 29.460 -0.149 0.000 1.213 117 W HN 0.354 nan 8.180 nan 0.000 0.539 118 I N 8.926 128.823 120.570 -1.120 0.000 2.411 118 I HA 0.084 4.277 4.170 0.040 0.000 0.284 118 I C -0.275 174.986 176.117 -1.427 0.000 1.012 118 I CA -1.112 59.588 61.300 -0.999 0.000 1.119 118 I CB 0.836 38.431 38.000 -0.675 0.000 1.261 118 I HN 0.312 nan 8.210 nan 0.000 0.448 119 Y N 4.652 124.433 120.300 -0.865 0.000 2.330 119 Y HA 0.737 5.310 4.550 0.040 0.000 0.341 119 Y C 0.675 176.379 175.900 -0.326 0.000 1.278 119 Y CA -0.797 56.930 58.100 -0.623 0.000 1.453 119 Y CB 0.021 38.422 38.460 -0.099 0.000 1.342 119 Y HN 0.503 nan 8.280 nan 0.000 0.590 120 G N -1.402 107.406 108.800 0.013 0.000 2.887 120 G HA2 0.524 4.508 3.960 0.040 0.000 0.277 120 G HA3 0.524 4.508 3.960 0.040 0.000 0.277 120 G C 0.045 174.884 174.900 -0.100 0.000 1.346 120 G CA -0.998 44.032 45.100 -0.116 0.000 1.058 120 G HN 1.636 nan 8.290 nan 0.000 0.535 121 G N -2.635 105.955 108.800 -0.351 0.000 2.542 121 G HA2 0.433 4.417 3.960 0.040 0.000 0.223 121 G HA3 0.433 4.417 3.960 0.040 0.000 0.223 121 G C 0.975 175.384 174.900 -0.818 0.000 1.041 121 G CA 0.795 45.576 45.100 -0.532 0.000 0.928 121 G HN 2.307 nan 8.290 nan 0.000 0.558 122 G N -0.467 107.849 108.800 -0.807 0.000 2.180 122 G HA2 -0.157 3.827 3.960 0.040 0.000 0.263 122 G HA3 -0.157 3.827 3.960 0.040 0.000 0.263 122 G C 0.903 175.508 174.900 -0.493 0.000 0.989 122 G CA 0.803 45.155 45.100 -1.246 0.000 0.692 122 G HN 1.734 nan 8.290 nan 0.000 0.526 123 F N -3.382 116.425 119.950 -0.239 0.000 2.794 123 F HA -0.282 4.269 4.527 0.040 0.000 0.335 123 F C 1.356 177.238 175.800 0.137 0.000 0.653 123 F CA 2.069 60.060 58.000 -0.015 0.000 1.266 123 F CB -2.023 36.859 39.000 -0.197 0.000 1.666 123 F HN 0.952 nan 8.300 nan 0.000 0.314 124 Y N -1.183 119.187 120.300 0.117 0.000 2.527 124 Y HA 0.673 5.246 4.550 0.040 0.000 0.247 124 Y C 0.541 176.534 175.900 0.155 0.000 1.138 124 Y CA 0.264 58.444 58.100 0.134 0.000 1.228 124 Y CB 0.020 38.471 38.460 -0.015 0.000 1.252 124 Y HN 0.108 nan 8.280 nan 0.000 0.531 125 S N -0.732 114.687 115.700 -0.469 0.000 2.727 125 S HA 0.863 5.357 4.470 0.040 0.000 0.278 125 S C -0.178 174.253 174.600 -0.281 0.000 1.186 125 S CA -0.509 57.481 58.200 -0.350 0.000 0.836 125 S CB 1.355 64.256 63.200 -0.498 0.000 1.186 125 S HN 1.433 nan 8.310 nan 0.000 0.499 126 G N -0.680 107.935 108.800 -0.308 0.000 2.576 126 G HA2 0.531 4.515 3.960 0.040 0.000 0.686 126 G HA3 0.531 4.515 3.960 0.040 0.000 0.686 126 G C -0.611 173.670 174.900 -1.031 0.000 1.242 126 G CA -0.231 44.535 45.100 -0.558 0.000 0.819 126 G HN 2.134 nan 8.290 nan 0.000 0.655 127 A N -0.303 121.835 122.820 -1.136 0.000 2.574 127 A HA 1.027 5.371 4.320 0.040 0.000 0.297 127 A C 0.682 178.049 177.584 -0.360 0.000 1.062 127 A CA 0.457 52.036 52.037 -0.763 0.000 0.686 127 A CB 1.224 19.997 19.000 -0.378 0.000 1.285 127 A HN 2.579 nan 8.150 nan 0.000 0.403 128 A N 0.478 123.316 122.820 0.030 0.000 2.206 128 A HA 0.233 4.577 4.320 0.040 0.000 0.211 128 A C 1.665 179.278 177.584 0.048 0.000 1.158 128 A CA 1.737 53.987 52.037 0.356 0.000 0.761 128 A CB -0.540 18.742 19.000 0.471 0.000 0.801 128 A HN 1.717 nan 8.150 nan 0.000 0.473 129 S N -0.674 114.811 115.700 -0.358 0.000 2.556 129 S HA 0.326 4.820 4.470 0.040 0.000 0.216 129 S C 0.523 174.702 174.600 -0.701 0.000 0.970 129 S CA -0.468 57.105 58.200 -1.046 0.000 0.912 129 S CB -0.521 62.017 63.200 -1.104 0.000 0.790 129 S HN 0.375 nan 8.310 nan 0.000 0.504 130 L N 2.290 123.216 121.223 -0.496 0.000 2.483 130 L HA 0.120 4.484 4.340 0.040 0.000 0.275 130 L C 1.115 177.641 176.870 -0.573 0.000 1.220 130 L CA -0.355 54.135 54.840 -0.584 0.000 0.833 130 L CB 0.204 41.760 42.059 -0.838 0.000 1.102 130 L HN 0.098 nan 8.230 nan 0.000 0.490 131 D N 0.890 120.996 120.400 -0.490 0.000 2.144 131 D HA -0.130 4.534 4.640 0.040 0.000 0.200 131 D C 2.034 178.065 176.300 -0.448 0.000 0.978 131 D CA 1.239 55.023 54.000 -0.359 0.000 0.833 131 D CB -0.070 40.564 40.800 -0.276 0.000 0.961 131 D HN 0.529 nan 8.370 nan 0.000 0.470 132 V N -1.082 118.443 119.914 -0.647 0.000 2.867 132 V HA -0.186 3.958 4.120 0.040 0.000 0.260 132 V C 1.016 176.628 176.094 -0.804 0.000 1.099 132 V CA 1.125 63.048 62.300 -0.630 0.000 1.122 132 V CB -1.176 30.273 31.823 -0.623 0.000 0.708 132 V HN 0.072 nan 8.190 nan 0.000 0.490 133 Y N 0.461 120.213 120.300 -0.913 0.000 2.625 133 Y HA 0.470 5.044 4.550 0.040 0.000 0.285 133 Y C 0.715 175.901 175.900 -1.191 0.000 1.168 133 Y CA -2.052 55.086 58.100 -1.604 0.000 1.250 133 Y CB -0.988 36.936 38.460 -0.892 0.000 1.130 133 Y HN 0.268 nan 8.280 nan 0.000 0.526 134 D N 0.706 120.721 120.400 -0.641 0.000 2.358 134 D HA 0.084 4.748 4.640 0.040 0.000 0.258 134 D C 1.385 177.359 176.300 -0.543 0.000 1.223 134 D CA 0.328 54.095 54.000 -0.388 0.000 0.886 134 D CB 1.320 42.060 40.800 -0.100 0.000 1.120 134 D HN 0.459 nan 8.370 nan 0.000 0.482 135 G N 4.196 112.169 108.800 -1.378 0.000 2.920 135 G HA2 -0.166 3.818 3.960 0.040 0.000 0.208 135 G HA3 -0.166 3.818 3.960 0.040 0.000 0.208 135 G C 1.462 175.820 174.900 -0.904 0.000 1.159 135 G CA 0.019 44.391 45.100 -1.213 0.000 0.784 135 G HN 0.596 nan 8.290 nan 0.000 0.535 136 R N -0.350 119.619 120.500 -0.885 0.000 2.115 136 R HA -0.002 4.362 4.340 0.040 0.000 0.230 136 R C 1.612 177.685 176.300 -0.378 0.000 1.111 136 R CA 0.942 56.732 56.100 -0.516 0.000 0.976 136 R CB -0.717 29.304 30.300 -0.465 0.000 0.870 136 R HN 0.324 nan 8.270 nan 0.000 0.445 137 F N 1.780 121.662 119.950 -0.112 0.000 2.113 137 F HA 0.011 4.563 4.527 0.041 0.000 0.297 137 F C 2.416 178.187 175.800 -0.049 0.000 1.103 137 F CA 0.956 58.918 58.000 -0.064 0.000 1.248 137 F CB -0.594 38.362 39.000 -0.073 0.000 0.999 137 F HN -0.144 nan 8.300 nan 0.000 0.475 138 L N -0.310 120.987 121.223 0.123 0.000 2.131 138 L HA -0.167 4.197 4.340 0.040 0.000 0.210 138 L C 2.649 179.555 176.870 0.060 0.000 1.092 138 L CA 0.994 55.864 54.840 0.050 0.000 0.759 138 L CB -0.938 41.117 42.059 -0.007 0.000 0.903 138 L HN 0.174 nan 8.230 nan 0.000 0.435 139 A N -0.859 121.999 122.820 0.064 0.000 1.873 139 A HA -0.216 4.128 4.320 0.040 0.000 0.215 139 A C 2.305 179.949 177.584 0.100 0.000 1.186 139 A CA 1.360 53.466 52.037 0.115 0.000 0.616 139 A CB -0.459 18.652 19.000 0.186 0.000 0.823 139 A HN 0.349 nan 8.150 nan 0.000 0.442 140 Q N -0.006 119.835 119.800 0.069 0.000 2.016 140 Q HA -0.095 4.269 4.340 0.040 0.000 0.200 140 Q C 2.242 178.284 176.000 0.070 0.000 0.978 140 Q CA 2.139 57.982 55.803 0.067 0.000 0.833 140 Q CB -0.424 28.334 28.738 0.033 0.000 0.895 140 Q HN 0.394 nan 8.270 nan 0.000 0.427 141 V N 1.372 121.329 119.914 0.073 0.000 2.323 141 V HA -0.140 4.004 4.120 0.040 0.000 0.244 141 V C 1.814 177.935 176.094 0.046 0.000 1.041 141 V CA 1.706 64.042 62.300 0.060 0.000 1.025 141 V CB -0.261 31.599 31.823 0.061 0.000 0.656 141 V HN 0.262 nan 8.190 nan 0.000 0.451 142 E N -0.129 120.098 120.200 0.045 0.000 2.474 142 E HA 0.189 4.563 4.350 0.040 0.000 0.195 142 E C 1.644 178.273 176.600 0.048 0.000 1.039 142 E CA 0.675 57.097 56.400 0.036 0.000 0.881 142 E CB 0.229 29.944 29.700 0.025 0.000 0.970 142 E HN 0.604 nan 8.360 nan 0.000 0.486 143 G N 1.812 110.650 108.800 0.064 0.000 2.283 143 G HA2 -0.303 3.681 3.960 0.040 0.000 0.280 143 G HA3 -0.303 3.681 3.960 0.040 0.000 0.280 143 G C 0.440 175.392 174.900 0.087 0.000 1.029 143 G CA 0.465 45.612 45.100 0.078 0.000 0.840 143 G HN 0.458 nan 8.290 nan 0.000 0.505 144 A N -0.891 121.983 122.820 0.089 0.000 2.316 144 A HA 0.742 5.086 4.320 0.040 0.000 0.284 144 A C 0.436 178.109 177.584 0.148 0.000 1.115 144 A CA -0.155 51.939 52.037 0.096 0.000 0.812 144 A CB 1.392 20.432 19.000 0.068 0.000 1.064 144 A HN 1.084 nan 8.150 nan 0.000 0.489 145 V N 3.023 123.032 119.914 0.157 0.000 2.364 145 V HA 0.350 4.494 4.120 0.040 0.000 0.272 145 V C -0.114 176.120 176.094 0.233 0.000 1.036 145 V CA -0.065 62.360 62.300 0.210 0.000 0.880 145 V CB 0.733 32.669 31.823 0.188 0.000 0.991 145 V HN 0.723 nan 8.190 nan 0.000 0.460 146 L N 6.477 127.896 121.223 0.328 0.000 2.341 146 L HA 0.748 5.112 4.340 0.040 0.000 0.278 146 L C -0.872 176.302 176.870 0.508 0.000 1.005 146 L CA -0.332 54.747 54.840 0.398 0.000 0.818 146 L CB 1.873 44.163 42.059 0.384 0.000 1.259 146 L HN 0.430 nan 8.230 nan 0.000 0.418 147 V N 3.147 123.328 119.914 0.444 0.000 2.555 147 V HA 0.696 4.840 4.120 0.040 0.000 0.302 147 V C -0.334 176.036 176.094 0.459 0.000 1.038 147 V CA -0.442 62.086 62.300 0.381 0.000 0.887 147 V CB 1.875 33.834 31.823 0.225 0.000 0.991 147 V HN 0.851 nan 8.190 nan 0.000 0.434 148 S N 5.251 121.228 115.700 0.461 0.000 2.541 148 S HA 0.881 5.375 4.470 0.040 0.000 0.280 148 S C -0.803 173.977 174.600 0.300 0.000 1.112 148 S CA -0.816 57.654 58.200 0.450 0.000 0.925 148 S CB 2.272 65.871 63.200 0.665 0.000 1.067 148 S HN 0.874 nan 8.310 nan 0.000 0.479 149 M N 1.381 121.119 119.600 0.229 0.000 2.662 149 M HA 0.656 5.160 4.480 0.040 0.000 0.310 149 M C -1.705 174.831 176.300 0.393 0.000 1.204 149 M CA -0.532 54.901 55.300 0.220 0.000 0.891 149 M CB 1.256 33.833 32.600 -0.038 0.000 1.732 149 M HN 0.562 nan 8.290 nan 0.000 0.467 150 N N 2.112 121.091 118.700 0.467 0.000 2.509 150 N HA 0.626 5.390 4.740 0.040 0.000 0.287 150 N C -1.439 174.344 175.510 0.456 0.000 1.121 150 N CA 0.063 53.400 53.050 0.478 0.000 0.977 150 N CB 0.812 39.502 38.487 0.338 0.000 1.167 150 N HN 0.726 nan 8.380 nan 0.000 0.476 151 Y N -2.049 118.407 120.300 0.260 0.000 2.534 151 Y HA 0.550 5.124 4.550 0.040 0.000 0.345 151 Y C -0.123 175.886 175.900 0.183 0.000 1.031 151 Y CA -1.321 56.883 58.100 0.173 0.000 1.022 151 Y CB 0.875 39.377 38.460 0.069 0.000 1.292 151 Y HN 0.211 nan 8.280 nan 0.000 0.459 152 R N 1.991 122.571 120.500 0.133 0.000 2.570 152 R HA 0.438 4.802 4.340 0.040 0.000 0.277 152 R C -0.033 176.336 176.300 0.115 0.000 1.039 152 R CA 0.058 56.200 56.100 0.069 0.000 1.065 152 R CB 0.644 30.976 30.300 0.053 0.000 0.964 152 R HN 0.729 nan 8.270 nan 0.000 0.428 153 V N -0.130 119.903 119.914 0.199 0.000 3.229 153 V HA 0.845 4.989 4.120 0.040 0.000 0.310 153 V C 0.925 177.286 176.094 0.445 0.000 1.206 153 V CA -0.155 62.376 62.300 0.384 0.000 1.051 153 V CB 0.969 32.942 31.823 0.251 0.000 1.183 153 V HN 0.945 nan 8.190 nan 0.000 0.466 154 G N 1.454 110.548 108.800 0.489 0.000 2.602 154 G HA2 -0.361 3.623 3.960 0.040 0.000 0.306 154 G HA3 -0.361 3.623 3.960 0.040 0.000 0.306 154 G C 1.119 176.104 174.900 0.142 0.000 1.301 154 G CA 2.101 47.411 45.100 0.351 0.000 0.974 154 G HN 2.339 nan 8.290 nan 0.000 0.547 155 T N -1.778 112.602 114.554 -0.290 0.000 2.803 155 T HA -0.061 4.313 4.350 0.040 0.000 0.269 155 T C 2.123 176.653 174.700 -0.284 0.000 1.052 155 T CA 2.473 64.171 62.100 -0.671 0.000 1.136 155 T CB -0.353 67.983 68.868 -0.887 0.000 0.864 155 T HN 0.494 nan 8.240 nan 0.000 0.467 156 F N 1.863 121.856 119.950 0.072 0.000 2.325 156 F HA 0.323 4.873 4.527 0.040 0.000 0.299 156 F C 2.683 178.475 175.800 -0.012 0.000 1.090 156 F CA 0.548 58.560 58.000 0.019 0.000 1.392 156 F CB -0.701 38.265 39.000 -0.057 0.000 1.053 156 F HN 0.356 nan 8.300 nan 0.000 0.521 157 G N -1.743 107.101 108.800 0.074 0.000 2.656 157 G HA2 0.025 4.009 3.960 0.040 0.000 0.211 157 G HA3 0.025 4.009 3.960 0.040 0.000 0.211 157 G C 0.852 175.308 174.900 -0.740 0.000 1.137 157 G CA 0.188 45.077 45.100 -0.351 0.000 0.802 157 G HN 0.329 nan 8.290 nan 0.000 0.527 158 F N -0.315 119.707 119.950 0.119 0.000 2.856 158 F HA 0.441 4.992 4.527 0.040 0.000 0.338 158 F C 0.420 176.276 175.800 0.094 0.000 1.100 158 F CA -0.911 57.137 58.000 0.080 0.000 1.150 158 F CB 0.472 39.511 39.000 0.065 0.000 1.101 158 F HN -0.082 nan 8.300 nan 0.000 0.548 159 L N 2.218 123.476 121.223 0.060 0.000 2.433 159 L HA 0.615 4.979 4.340 0.040 0.000 0.275 159 L C -0.067 176.747 176.870 -0.093 0.000 1.128 159 L CA -0.069 54.706 54.840 -0.109 0.000 0.875 159 L CB 0.249 41.939 42.059 -0.615 0.000 1.171 159 L HN 0.118 nan 8.230 nan 0.000 0.463 160 A N 6.276 129.104 122.820 0.013 0.000 2.401 160 A HA 0.690 5.034 4.320 0.040 0.000 0.310 160 A C -0.977 176.582 177.584 -0.041 0.000 1.075 160 A CA -0.648 51.373 52.037 -0.025 0.000 0.746 160 A CB 1.412 20.429 19.000 0.028 0.000 1.277 160 A HN 0.738 nan 8.150 nan 0.000 0.425 161 L N 2.831 124.017 121.223 -0.062 0.000 2.387 161 L HA 0.300 4.664 4.340 0.040 0.000 0.259 161 L C -2.444 174.413 176.870 -0.020 0.000 1.050 161 L CA -1.872 52.942 54.840 -0.043 0.000 0.922 161 L CB 1.387 43.409 42.059 -0.061 0.000 1.280 161 L HN 0.420 nan 8.230 nan 0.000 0.449 162 P HA -0.018 nan 4.420 nan 0.000 0.261 162 P C 0.990 178.290 177.300 0.001 0.000 1.173 162 P CA 1.008 64.109 63.100 0.001 0.000 0.760 162 P CB 0.781 32.481 31.700 0.001 0.000 0.783 163 G N 1.880 110.685 108.800 0.008 0.000 2.253 163 G HA2 -0.265 3.719 3.960 0.040 0.000 0.251 163 G HA3 -0.265 3.719 3.960 0.040 0.000 0.251 163 G C 0.470 175.375 174.900 0.008 0.000 0.998 163 G CA 0.308 45.413 45.100 0.008 0.000 0.621 163 G HN 0.816 nan 8.290 nan 0.000 0.524 164 S N -0.174 115.528 115.700 0.003 0.000 2.589 164 S HA 0.531 5.025 4.470 0.040 0.000 0.265 164 S C 1.232 175.841 174.600 0.014 0.000 1.342 164 S CA 0.554 58.756 58.200 0.004 0.000 1.005 164 S CB 1.783 64.978 63.200 -0.008 0.000 0.909 164 S HN 0.490 nan 8.310 nan 0.000 0.555 165 R N 0.516 121.027 120.500 0.018 0.000 2.173 165 R HA 0.020 4.384 4.340 0.040 0.000 0.208 165 R C 1.141 177.462 176.300 0.036 0.000 1.035 165 R CA 0.975 57.091 56.100 0.026 0.000 1.004 165 R CB -0.045 30.269 30.300 0.025 0.000 0.917 165 R HN 0.922 nan 8.270 nan 0.000 0.462 166 E N -0.678 119.543 120.200 0.036 0.000 2.501 166 E HA 0.129 4.503 4.350 0.040 0.000 0.201 166 E C -0.582 176.063 176.600 0.074 0.000 1.016 166 E CA 0.048 56.484 56.400 0.060 0.000 0.920 166 E CB 1.266 31.003 29.700 0.062 0.000 1.023 166 E HN 0.173 nan 8.360 nan 0.000 0.474 167 A N 1.909 124.747 122.820 0.031 0.000 3.200 167 A HA 0.404 4.748 4.320 0.040 0.000 0.274 167 A C -2.508 175.075 177.584 -0.002 0.000 1.220 167 A CA -0.808 51.229 52.037 -0.001 0.000 0.904 167 A CB 0.860 19.777 19.000 -0.139 0.000 1.415 167 A HN -0.076 nan 8.150 nan 0.000 0.630 168 P HA 0.228 nan 4.420 nan 0.000 0.227 168 P C 0.930 178.251 177.300 0.035 0.000 1.161 168 P CA 1.705 64.825 63.100 0.033 0.000 0.788 168 P CB 0.333 32.062 31.700 0.049 0.000 0.822 169 G N -0.045 108.775 108.800 0.033 0.000 2.663 169 G HA2 -0.136 3.848 3.960 0.040 0.000 0.686 169 G HA3 -0.136 3.848 3.960 0.040 0.000 0.686 169 G C -0.267 174.649 174.900 0.027 0.000 1.246 169 G CA -0.351 44.774 45.100 0.041 0.000 0.795 169 G HN 0.088 nan 8.290 nan 0.000 0.627 170 N N -2.204 116.517 118.700 0.035 0.000 2.741 170 N HA -0.277 4.487 4.740 0.040 0.000 0.251 170 N C 1.879 177.295 175.510 -0.157 0.000 1.112 170 N CA 2.290 55.314 53.050 -0.043 0.000 0.750 170 N CB -1.661 36.727 38.487 -0.164 0.000 1.119 170 N HN 1.907 nan 8.380 nan 0.000 0.561 171 V N -2.688 117.123 119.914 -0.172 0.000 2.515 171 V HA -0.009 4.135 4.120 0.040 0.000 0.250 171 V C 2.332 178.317 176.094 -0.181 0.000 1.058 171 V CA 2.260 64.491 62.300 -0.116 0.000 1.064 171 V CB -0.897 30.898 31.823 -0.047 0.000 0.675 171 V HN 0.272 nan 8.190 nan 0.000 0.461 172 G N 0.433 108.930 108.800 -0.504 0.000 2.432 172 G HA2 -0.139 3.845 3.960 0.040 0.000 0.219 172 G HA3 -0.139 3.845 3.960 0.040 0.000 0.219 172 G C 1.534 176.405 174.900 -0.048 0.000 1.135 172 G CA 1.200 46.094 45.100 -0.344 0.000 0.767 172 G HN 0.555 nan 8.290 nan 0.000 0.550 173 L N -0.253 120.902 121.223 -0.112 0.000 2.179 173 L HA 0.152 4.516 4.340 0.040 0.000 0.208 173 L C 2.771 179.672 176.870 0.052 0.000 1.096 173 L CA 0.157 54.900 54.840 -0.161 0.000 0.779 173 L CB -0.279 41.344 42.059 -0.727 0.000 0.922 173 L HN 0.158 nan 8.230 nan 0.000 0.443 174 L N -0.368 120.902 121.223 0.078 0.000 2.083 174 L HA -0.223 4.141 4.340 0.040 0.000 0.209 174 L C 2.207 179.197 176.870 0.200 0.000 1.083 174 L CA 0.990 55.958 54.840 0.213 0.000 0.752 174 L CB -0.709 41.451 42.059 0.169 0.000 0.899 174 L HN 0.275 nan 8.230 nan 0.000 0.433 175 D N 0.116 120.620 120.400 0.174 0.000 2.106 175 D HA -0.234 4.430 4.640 0.040 0.000 0.191 175 D C 2.285 178.710 176.300 0.207 0.000 0.997 175 D CA 1.358 55.524 54.000 0.277 0.000 0.834 175 D CB -0.304 40.679 40.800 0.305 0.000 0.956 175 D HN 0.408 nan 8.370 nan 0.000 0.448 176 Q N -0.029 119.835 119.800 0.105 0.000 2.096 176 Q HA -0.156 4.208 4.340 0.040 0.000 0.204 176 Q C 2.300 178.285 176.000 -0.025 0.000 0.982 176 Q CA 1.234 57.020 55.803 -0.030 0.000 0.850 176 Q CB -0.137 28.573 28.738 -0.046 0.000 0.901 176 Q HN 0.227 nan 8.270 nan 0.000 0.422 177 R N 0.550 121.156 120.500 0.177 0.000 2.096 177 R HA -0.175 4.189 4.340 0.040 0.000 0.235 177 R C 2.142 178.500 176.300 0.095 0.000 1.127 177 R CA 0.985 57.187 56.100 0.170 0.000 0.968 177 R CB -0.176 30.326 30.300 0.336 0.000 0.861 177 R HN 0.228 nan 8.270 nan 0.000 0.440 178 L N 0.674 121.972 121.223 0.124 0.000 2.056 178 L HA 0.021 4.385 4.340 0.040 0.000 0.207 178 L C 2.284 179.187 176.870 0.054 0.000 1.078 178 L CA 2.080 57.018 54.840 0.164 0.000 0.749 178 L CB -0.727 41.516 42.059 0.306 0.000 0.901 178 L HN 0.244 nan 8.230 nan 0.000 0.433 179 A N -0.830 121.811 122.820 -0.299 0.000 1.933 179 A HA -0.169 4.175 4.320 0.040 0.000 0.218 179 A C 2.126 179.636 177.584 -0.124 0.000 1.175 179 A CA 1.803 53.489 52.037 -0.585 0.000 0.628 179 A CB -0.775 17.587 19.000 -1.062 0.000 0.814 179 A HN 0.422 nan 8.150 nan 0.000 0.444 180 L N -0.450 120.722 121.223 -0.085 0.000 2.017 180 L HA -0.204 4.160 4.340 0.040 0.000 0.208 180 L C 2.672 179.586 176.870 0.074 0.000 1.073 180 L CA 2.149 56.983 54.840 -0.011 0.000 0.745 180 L CB -1.051 40.973 42.059 -0.058 0.000 0.894 180 L HN 0.462 nan 8.230 nan 0.000 0.432 181 Q N -2.277 117.578 119.800 0.093 0.000 2.124 181 Q HA -0.276 4.088 4.340 0.040 0.000 0.202 181 Q C 2.113 178.201 176.000 0.146 0.000 0.977 181 Q CA 2.014 57.881 55.803 0.108 0.000 0.850 181 Q CB -0.426 28.382 28.738 0.116 0.000 0.901 181 Q HN 0.597 nan 8.270 nan 0.000 0.429 182 W N -0.031 121.278 121.300 0.016 0.000 2.342 182 W HA -0.209 4.475 4.660 0.040 0.000 0.297 182 W C 1.733 178.274 176.519 0.038 0.000 1.213 182 W CA 1.184 58.558 57.345 0.048 0.000 1.251 182 W CB -0.015 29.478 29.460 0.055 0.000 1.136 182 W HN -0.128 nan 8.180 nan 0.000 0.526 183 V N 0.823 120.942 119.914 0.341 0.000 2.427 183 V HA -0.303 3.841 4.120 0.040 0.000 0.248 183 V C 2.506 178.620 176.094 0.034 0.000 1.051 183 V CA 1.865 64.293 62.300 0.213 0.000 1.048 183 V CB -0.811 31.139 31.823 0.211 0.000 0.666 183 V HN 0.193 nan 8.190 nan 0.000 0.456 184 Q N 0.047 119.867 119.800 0.032 0.000 2.084 184 Q HA -0.217 4.147 4.340 0.040 0.000 0.202 184 Q C 2.138 178.104 176.000 -0.057 0.000 0.978 184 Q CA 1.702 57.509 55.803 0.006 0.000 0.844 184 Q CB -0.237 28.512 28.738 0.019 0.000 0.898 184 Q HN 0.721 nan 8.270 nan 0.000 0.426 185 E N -0.368 119.758 120.200 -0.123 0.000 2.371 185 E HA 0.004 4.378 4.350 0.040 0.000 0.194 185 E C 1.113 177.541 176.600 -0.287 0.000 1.012 185 E CA 0.215 56.509 56.400 -0.178 0.000 0.860 185 E CB 0.299 29.892 29.700 -0.178 0.000 0.811 185 E HN 0.292 nan 8.360 nan 0.000 0.502 186 N N -0.305 118.142 118.700 -0.423 0.000 2.266 186 N HA 0.023 4.787 4.740 0.040 0.000 0.217 186 N C 1.401 176.812 175.510 -0.166 0.000 1.211 186 N CA 0.021 52.767 53.050 -0.508 0.000 0.881 186 N CB 0.458 38.128 38.487 -1.362 0.000 1.153 186 N HN 0.030 nan 8.380 nan 0.000 0.489 187 I N 2.679 123.193 120.570 -0.093 0.000 2.264 187 I HA -0.129 4.065 4.170 0.040 0.000 0.248 187 I C 2.199 178.430 176.117 0.190 0.000 1.111 187 I CA 0.815 62.178 61.300 0.106 0.000 1.382 187 I CB -0.389 37.663 38.000 0.086 0.000 1.060 187 I HN 0.083 nan 8.210 nan 0.000 0.418 188 A N 0.356 123.221 122.820 0.075 0.000 1.948 188 A HA -0.207 4.137 4.320 0.040 0.000 0.220 188 A C 2.494 180.096 177.584 0.030 0.000 1.177 188 A CA 1.881 53.948 52.037 0.049 0.000 0.636 188 A CB -1.243 17.757 19.000 0.001 0.000 0.815 188 A HN 0.509 nan 8.150 nan 0.000 0.449 189 A N -1.607 121.205 122.820 -0.013 0.000 2.076 189 A HA 0.010 4.354 4.320 0.040 0.000 0.220 189 A C 1.656 179.067 177.584 -0.288 0.000 1.160 189 A CA 1.428 53.352 52.037 -0.188 0.000 0.653 189 A CB -0.654 18.146 19.000 -0.333 0.000 0.801 189 A HN 0.518 nan 8.150 nan 0.000 0.455 190 F N -1.435 118.464 119.950 -0.084 0.000 2.749 190 F HA 0.373 4.925 4.527 0.040 0.000 0.300 190 F C 1.763 177.570 175.800 0.011 0.000 1.103 190 F CA 0.559 58.519 58.000 -0.066 0.000 1.342 190 F CB 0.264 39.234 39.000 -0.051 0.000 1.098 190 F HN 0.331 nan 8.300 nan 0.000 0.586 191 G N 0.384 109.278 108.800 0.156 0.000 2.131 191 G HA2 -0.120 3.864 3.960 0.040 0.000 0.201 191 G HA3 -0.120 3.864 3.960 0.040 0.000 0.201 191 G C 0.479 175.453 174.900 0.123 0.000 1.000 191 G CA -0.315 44.852 45.100 0.112 0.000 0.680 191 G HN 0.704 nan 8.290 nan 0.000 0.514 192 G N -0.702 108.186 108.800 0.146 0.000 2.451 192 G HA2 0.510 4.494 3.960 0.040 0.000 0.303 192 G HA3 0.510 4.494 3.960 0.040 0.000 0.303 192 G C -0.866 174.086 174.900 0.087 0.000 1.166 192 G CA 0.047 45.222 45.100 0.125 0.000 0.884 192 G HN 0.193 nan 8.290 nan 0.000 0.514 193 D N 1.212 121.658 120.400 0.077 0.000 2.443 193 D HA 0.332 4.996 4.640 0.040 0.000 0.221 193 D C -1.503 174.845 176.300 0.081 0.000 1.097 193 D CA -2.292 51.741 54.000 0.055 0.000 0.865 193 D CB 1.959 42.774 40.800 0.026 0.000 1.034 193 D HN -0.033 nan 8.370 nan 0.000 0.511 194 P HA -0.028 nan 4.420 nan 0.000 0.225 194 P C 1.256 178.679 177.300 0.204 0.000 1.148 194 P CA 0.851 64.020 63.100 0.117 0.000 0.779 194 P CB 0.123 31.863 31.700 0.067 0.000 0.780 195 M N -1.874 117.789 119.600 0.105 0.000 2.495 195 M HA 0.088 4.592 4.480 0.040 0.000 0.237 195 M C 0.553 176.600 176.300 -0.422 0.000 1.131 195 M CA 0.559 55.849 55.300 -0.017 0.000 1.032 195 M CB 0.172 32.722 32.600 -0.083 0.000 1.513 195 M HN -0.175 nan 8.290 nan 0.000 0.488 196 S N 1.075 116.726 115.700 -0.081 0.000 2.389 196 S HA 0.433 4.926 4.470 0.040 0.000 0.201 196 S C -1.021 173.723 174.600 0.241 0.000 1.422 196 S CA -0.518 57.639 58.200 -0.071 0.000 1.216 196 S CB 0.482 63.621 63.200 -0.102 0.000 1.130 196 S HN -0.000 nan 8.310 nan 0.000 0.465 197 V N 4.160 124.439 119.914 0.607 0.000 2.409 197 V HA 0.538 4.682 4.120 0.040 0.000 0.291 197 V C -0.030 176.231 176.094 0.278 0.000 1.020 197 V CA -0.489 61.998 62.300 0.312 0.000 0.848 197 V CB 1.828 33.769 31.823 0.197 0.000 0.990 197 V HN 0.747 nan 8.190 nan 0.000 0.430 198 T N 6.562 121.231 114.554 0.191 0.000 2.770 198 T HA 0.595 4.969 4.350 0.040 0.000 0.283 198 T C -0.189 174.624 174.700 0.188 0.000 0.988 198 T CA -0.351 61.859 62.100 0.183 0.000 0.957 198 T CB 0.840 69.768 68.868 0.100 0.000 0.930 198 T HN 0.346 nan 8.240 nan 0.000 0.443 199 L N 4.780 126.092 121.223 0.148 0.000 2.371 199 L HA 0.669 5.033 4.340 0.040 0.000 0.272 199 L C -0.353 176.720 176.870 0.338 0.000 1.124 199 L CA -0.766 54.143 54.840 0.114 0.000 0.816 199 L CB 0.240 42.143 42.059 -0.260 0.000 1.129 199 L HN 0.610 nan 8.230 nan 0.000 0.448 200 F N 0.252 120.245 119.950 0.072 0.000 2.613 200 F HA 0.966 5.517 4.527 0.040 0.000 0.310 200 F C -0.284 175.495 175.800 -0.035 0.000 1.085 200 F CA -1.646 56.436 58.000 0.137 0.000 0.945 200 F CB 1.405 40.620 39.000 0.359 0.000 1.298 200 F HN 0.502 nan 8.300 nan 0.000 0.455 201 G N 0.657 109.330 108.800 -0.211 0.000 2.608 201 G HA2 0.520 4.504 3.960 0.040 0.000 0.291 201 G HA3 0.520 4.504 3.960 0.040 0.000 0.291 201 G C -2.451 172.239 174.900 -0.350 0.000 1.425 201 G CA -0.759 43.835 45.100 -0.844 0.000 0.787 201 G HN 0.868 nan 8.290 nan 0.000 0.484 202 E N -0.136 119.811 120.200 -0.421 0.000 2.317 202 E HA 0.611 4.985 4.350 0.040 0.000 0.270 202 E C 0.627 177.158 176.600 -0.114 0.000 0.885 202 E CA 0.288 56.644 56.400 -0.073 0.000 0.760 202 E CB 2.307 32.088 29.700 0.135 0.000 1.227 202 E HN 1.008 nan 8.360 nan 0.000 0.434 203 S N 2.547 118.259 115.700 0.020 0.000 4.112 203 S HA -0.404 4.090 4.470 0.040 0.000 0.602 203 S C 1.511 176.186 174.600 0.125 0.000 1.939 203 S CA 2.567 60.852 58.200 0.140 0.000 4.230 203 S CB -1.579 61.620 63.200 -0.002 0.000 0.245 203 S HN 1.039 nan 8.310 nan 0.000 0.530 204 A N 1.052 123.809 122.820 -0.105 0.000 2.024 204 A HA 0.137 4.481 4.320 0.040 0.000 0.220 204 A C 2.543 179.871 177.584 -0.426 0.000 1.164 204 A CA 2.439 54.224 52.037 -0.419 0.000 0.643 204 A CB -1.652 16.657 19.000 -1.152 0.000 0.806 204 A HN 1.629 nan 8.150 nan 0.000 0.451 205 G N -0.567 108.026 108.800 -0.345 0.000 2.402 205 G HA2 0.024 4.008 3.960 0.040 0.000 0.216 205 G HA3 0.024 4.008 3.960 0.040 0.000 0.216 205 G C 1.724 176.450 174.900 -0.290 0.000 1.162 205 G CA 1.298 46.147 45.100 -0.418 0.000 0.777 205 G HN 0.763 nan 8.290 nan 0.000 0.539 206 A N 1.279 124.004 122.820 -0.157 0.000 1.877 206 A HA 0.278 4.622 4.320 0.040 0.000 0.216 206 A C 2.828 180.394 177.584 -0.029 0.000 1.186 206 A CA 2.232 54.237 52.037 -0.053 0.000 0.620 206 A CB -0.857 18.171 19.000 0.047 0.000 0.822 206 A HN 0.793 nan 8.150 nan 0.000 0.443 207 A N -0.542 122.284 122.820 0.009 0.000 1.940 207 A HA -0.084 4.260 4.320 0.040 0.000 0.219 207 A C 2.435 180.025 177.584 0.010 0.000 1.176 207 A CA 2.133 54.168 52.037 -0.005 0.000 0.631 207 A CB -0.807 18.193 19.000 0.000 0.000 0.814 207 A HN 0.456 nan 8.150 nan 0.000 0.446 208 S N -0.491 115.207 115.700 -0.003 0.000 2.355 208 S HA -0.128 4.366 4.470 0.040 0.000 0.222 208 S C 1.921 176.537 174.600 0.026 0.000 1.031 208 S CA 1.346 59.534 58.200 -0.020 0.000 0.993 208 S CB -0.553 62.575 63.200 -0.121 0.000 0.859 208 S HN 0.348 nan 8.310 nan 0.000 0.453 209 V N 1.879 121.785 119.914 -0.012 0.000 2.282 209 V HA -0.238 3.906 4.120 0.040 0.000 0.249 209 V C 2.626 178.733 176.094 0.023 0.000 1.057 209 V CA 2.099 64.385 62.300 -0.025 0.000 1.032 209 V CB -1.578 30.192 31.823 -0.089 0.000 0.645 209 V HN 0.607 nan 8.190 nan 0.000 0.447 210 G N -1.090 107.713 108.800 0.006 0.000 2.440 210 G HA2 -0.317 3.667 3.960 0.040 0.000 0.218 210 G HA3 -0.317 3.667 3.960 0.040 0.000 0.218 210 G C 1.622 176.552 174.900 0.050 0.000 1.154 210 G CA 1.249 46.356 45.100 0.012 0.000 0.767 210 G HN 0.455 nan 8.290 nan 0.000 0.552 211 M N -0.182 119.430 119.600 0.021 0.000 2.279 211 M HA 0.000 4.504 4.480 0.040 0.000 0.264 211 M C 2.243 178.621 176.300 0.129 0.000 1.062 211 M CA 0.885 56.217 55.300 0.053 0.000 1.099 211 M CB -0.164 32.417 32.600 -0.032 0.000 1.394 211 M HN 0.247 nan 8.290 nan 0.000 0.426 212 H N -0.508 118.679 119.070 0.195 0.000 2.428 212 H HA 0.028 4.607 4.556 0.040 0.000 0.296 212 H C 2.101 177.644 175.328 0.358 0.000 1.062 212 H CA 1.317 57.505 56.048 0.232 0.000 1.350 212 H CB -0.118 29.654 29.762 0.016 0.000 1.403 212 H HN 0.413 nan 8.280 nan 0.000 0.533 213 I N 0.778 121.617 120.570 0.449 0.000 2.286 213 I HA -0.229 3.965 4.170 0.040 0.000 0.248 213 I C 1.697 178.004 176.117 0.318 0.000 1.115 213 I CA 1.080 62.648 61.300 0.447 0.000 1.392 213 I CB -0.023 38.154 38.000 0.295 0.000 1.065 213 I HN 0.120 nan 8.210 nan 0.000 0.418 214 L N -0.717 120.646 121.223 0.234 0.000 2.628 214 L HA 0.140 4.504 4.340 0.040 0.000 0.229 214 L C 0.710 177.635 176.870 0.091 0.000 1.137 214 L CA 0.026 54.977 54.840 0.185 0.000 0.909 214 L CB 0.088 42.236 42.059 0.149 0.000 1.137 214 L HN 0.031 nan 8.230 nan 0.000 0.470 215 S N -0.185 115.544 115.700 0.048 0.000 2.733 215 S HA 0.220 4.714 4.470 0.040 0.000 0.307 215 S C 0.563 175.095 174.600 -0.113 0.000 1.127 215 S CA -0.633 57.484 58.200 -0.138 0.000 1.097 215 S CB 1.324 64.214 63.200 -0.516 0.000 1.003 215 S HN 0.172 nan 8.310 nan 0.000 0.477 216 L N 7.387 128.551 121.223 -0.098 0.000 2.010 216 L HA 0.042 4.406 4.340 0.040 0.000 0.219 216 L C -1.135 175.691 176.870 -0.073 0.000 1.077 216 L CA 2.472 57.269 54.840 -0.073 0.000 0.773 216 L CB -1.265 40.751 42.059 -0.072 0.000 0.892 216 L HN 0.496 nan 8.230 nan 0.000 0.436 217 P HA -0.112 nan 4.420 nan 0.000 0.219 217 P C 1.820 179.112 177.300 -0.014 0.000 1.146 217 P CA 1.606 64.665 63.100 -0.070 0.000 0.808 217 P CB -0.043 31.596 31.700 -0.102 0.000 0.779 218 S N -1.052 114.661 115.700 0.022 0.000 2.406 218 S HA -0.052 4.442 4.470 0.040 0.000 0.228 218 S C 1.874 176.593 174.600 0.198 0.000 1.020 218 S CA 0.632 58.959 58.200 0.210 0.000 0.965 218 S CB -0.423 63.051 63.200 0.457 0.000 0.798 218 S HN 0.062 nan 8.310 nan 0.000 0.488 219 R N 1.981 122.504 120.500 0.038 0.000 2.117 219 R HA -0.050 4.314 4.340 0.040 0.000 0.243 219 R C 2.176 178.292 176.300 -0.306 0.000 1.143 219 R CA 1.500 57.467 56.100 -0.222 0.000 0.968 219 R CB -1.470 28.741 30.300 -0.149 0.000 0.863 219 R HN 0.570 nan 8.270 nan 0.000 0.444 220 S N 0.134 115.750 115.700 -0.141 0.000 2.727 220 S HA 0.075 4.569 4.470 0.040 0.000 0.226 220 S C 1.551 176.082 174.600 -0.116 0.000 0.963 220 S CA 0.355 58.482 58.200 -0.122 0.000 0.950 220 S CB -0.254 62.911 63.200 -0.058 0.000 0.779 220 S HN 0.243 nan 8.310 nan 0.000 0.532 221 L N -0.343 120.810 121.223 -0.117 0.000 2.920 221 L HA 0.499 4.863 4.340 0.040 0.000 0.257 221 L C -0.124 176.750 176.870 0.006 0.000 1.150 221 L CA -0.363 54.474 54.840 -0.005 0.000 0.959 221 L CB 0.360 42.485 42.059 0.110 0.000 1.321 221 L HN 0.496 nan 8.230 nan 0.000 0.555 222 F N -3.961 115.781 119.950 -0.348 0.000 2.745 222 F HA 0.502 5.053 4.527 0.040 0.000 0.316 222 F C 0.388 175.845 175.800 -0.571 0.000 1.155 222 F CA -0.951 56.771 58.000 -0.464 0.000 0.937 222 F CB 0.805 39.704 39.000 -0.170 0.000 1.361 222 F HN -0.142 nan 8.300 nan 0.000 0.472 223 H N -0.766 118.356 119.070 0.088 0.000 3.457 223 H HA 0.474 5.054 4.556 0.040 0.000 0.255 223 H C -0.192 175.166 175.328 0.050 0.000 1.082 223 H CA -0.056 55.969 56.048 -0.039 0.000 1.189 223 H CB 1.020 30.761 29.762 -0.036 0.000 1.511 223 H HN 0.457 nan 8.280 nan 0.000 0.527 224 R N 0.131 120.826 120.500 0.325 0.000 2.734 224 R HA 0.712 5.076 4.340 0.040 0.000 0.271 224 R C -1.481 175.078 176.300 0.432 0.000 1.021 224 R CA -0.685 55.587 56.100 0.287 0.000 0.893 224 R CB 2.728 33.016 30.300 -0.021 0.000 1.244 224 R HN 0.132 nan 8.270 nan 0.000 0.464 225 A N 1.017 124.102 122.820 0.441 0.000 2.515 225 A HA 0.712 5.056 4.320 0.040 0.000 0.298 225 A C -1.455 176.266 177.584 0.228 0.000 1.059 225 A CA -0.612 51.603 52.037 0.298 0.000 0.698 225 A CB 1.983 21.123 19.000 0.234 0.000 1.289 225 A HN 0.279 nan 8.150 nan 0.000 0.404 226 V N 2.188 122.203 119.914 0.168 0.000 2.483 226 V HA 0.486 4.630 4.120 0.040 0.000 0.297 226 V C -1.221 174.961 176.094 0.146 0.000 1.027 226 V CA -0.308 62.033 62.300 0.070 0.000 0.855 226 V CB 1.262 33.159 31.823 0.123 0.000 0.995 226 V HN 0.687 nan 8.190 nan 0.000 0.424 227 L N 5.218 126.494 121.223 0.088 0.000 2.316 227 L HA 0.532 4.896 4.340 0.040 0.000 0.280 227 L C 0.029 176.992 176.870 0.154 0.000 1.006 227 L CA 0.021 54.913 54.840 0.087 0.000 0.836 227 L CB 1.589 43.658 42.059 0.016 0.000 1.221 227 L HN 0.636 nan 8.230 nan 0.000 0.418 228 Q N 2.195 122.132 119.800 0.229 0.000 2.372 228 Q HA 0.464 4.828 4.340 0.040 0.000 0.259 228 Q C 0.175 176.310 176.000 0.225 0.000 0.993 228 Q CA -0.496 55.499 55.803 0.321 0.000 0.854 228 Q CB 1.237 30.240 28.738 0.442 0.000 1.231 228 Q HN 0.628 nan 8.270 nan 0.000 0.462 229 S N 0.799 116.624 115.700 0.207 0.000 3.635 229 S HA -0.157 4.336 4.470 0.040 0.000 0.328 229 S C 0.042 174.834 174.600 0.319 0.000 1.135 229 S CA 0.583 58.937 58.200 0.258 0.000 0.942 229 S CB -1.176 62.225 63.200 0.335 0.000 0.930 229 S HN 0.984 nan 8.310 nan 0.000 0.512 230 G N -0.297 108.643 108.800 0.234 0.000 2.667 230 G HA2 0.659 4.643 3.960 0.040 0.000 0.294 230 G HA3 0.659 4.643 3.960 0.040 0.000 0.294 230 G C -0.912 174.057 174.900 0.116 0.000 1.467 230 G CA 0.217 45.506 45.100 0.314 0.000 0.852 230 G HN 0.861 nan 8.290 nan 0.000 0.521 231 T N -0.856 113.708 114.554 0.016 0.000 2.894 231 T HA 0.712 5.086 4.350 0.040 0.000 0.309 231 T C -2.475 172.078 174.700 -0.245 0.000 1.208 231 T CA -1.495 60.536 62.100 -0.116 0.000 1.016 231 T CB 2.808 71.592 68.868 -0.140 0.000 1.192 231 T HN 0.185 nan 8.240 nan 0.000 0.491 232 P HA -0.020 nan 4.420 nan 0.000 0.215 232 P C 0.580 177.719 177.300 -0.269 0.000 1.157 232 P CA 0.720 63.698 63.100 -0.204 0.000 0.859 232 P CB -0.142 31.494 31.700 -0.107 0.000 0.786 233 N N 0.767 119.336 118.700 -0.218 0.000 2.297 233 N HA 0.211 4.975 4.740 0.040 0.000 0.232 233 N C 0.739 176.049 175.510 -0.333 0.000 1.311 233 N CA 1.027 53.944 53.050 -0.222 0.000 0.897 233 N CB -0.326 38.071 38.487 -0.150 0.000 1.137 233 N HN 0.288 nan 8.380 nan 0.000 0.449 234 G N -1.009 107.609 108.800 -0.303 0.000 2.603 234 G HA2 -0.106 3.878 3.960 0.040 0.000 0.686 234 G HA3 -0.106 3.878 3.960 0.040 0.000 0.686 234 G C -2.325 172.327 174.900 -0.413 0.000 1.286 234 G CA -0.271 44.598 45.100 -0.385 0.000 0.871 234 G HN 0.490 nan 8.290 nan 0.000 0.568 235 P HA 0.093 nan 4.420 nan 0.000 0.222 235 P C 1.660 178.880 177.300 -0.133 0.000 1.153 235 P CA 2.153 65.107 63.100 -0.243 0.000 0.798 235 P CB -0.028 31.488 31.700 -0.305 0.000 0.796 236 W N -1.505 119.698 121.300 -0.160 0.000 2.993 236 W HA 0.578 5.262 4.660 0.040 0.000 0.290 236 W C 1.143 177.746 176.519 0.140 0.000 1.203 236 W CA 0.444 57.786 57.345 -0.005 0.000 1.582 236 W CB -0.928 28.579 29.460 0.077 0.000 1.033 236 W HN -0.159 nan 8.180 nan 0.000 0.594 237 A N 1.763 124.244 122.820 -0.565 0.000 2.072 237 A HA 0.118 4.462 4.320 0.040 0.000 0.216 237 A C 1.183 178.601 177.584 -0.278 0.000 1.156 237 A CA 1.741 53.494 52.037 -0.473 0.000 0.701 237 A CB -0.766 17.704 19.000 -0.883 0.000 0.816 237 A HN 0.221 nan 8.150 nan 0.000 0.458 238 T N -3.020 111.388 114.554 -0.243 0.000 2.883 238 T HA 0.635 5.009 4.350 0.040 0.000 0.296 238 T C -0.606 174.011 174.700 -0.140 0.000 1.117 238 T CA -0.110 61.864 62.100 -0.209 0.000 1.006 238 T CB 1.467 70.223 68.868 -0.187 0.000 1.191 238 T HN 0.904 nan 8.240 nan 0.000 0.508 239 V N -1.336 118.504 119.914 -0.124 0.000 3.102 239 V HA 0.907 5.051 4.120 0.040 0.000 0.312 239 V C 0.205 176.256 176.094 -0.071 0.000 1.135 239 V CA -0.887 61.359 62.300 -0.089 0.000 1.022 239 V CB 1.364 33.134 31.823 -0.089 0.000 1.056 239 V HN 1.373 nan 8.190 nan 0.000 0.436 240 S N 1.477 117.143 115.700 -0.057 0.000 2.603 240 S HA 0.592 5.086 4.470 0.040 0.000 0.268 240 S C 1.424 176.003 174.600 -0.035 0.000 1.317 240 S CA 0.101 58.276 58.200 -0.043 0.000 1.012 240 S CB 1.247 64.425 63.200 -0.037 0.000 0.926 240 S HN 2.015 nan 8.310 nan 0.000 0.539 241 A N 2.903 125.708 122.820 -0.024 0.000 1.917 241 A HA 0.025 4.369 4.320 0.040 0.000 0.219 241 A C 2.227 179.800 177.584 -0.018 0.000 1.182 241 A CA 2.075 54.103 52.037 -0.016 0.000 0.633 241 A CB -1.922 17.072 19.000 -0.009 0.000 0.819 241 A HN 1.214 nan 8.150 nan 0.000 0.448 242 G N -0.561 108.226 108.800 -0.021 0.000 2.459 242 G HA2 -0.281 3.703 3.960 0.040 0.000 0.217 242 G HA3 -0.281 3.703 3.960 0.040 0.000 0.217 242 G C 1.469 176.352 174.900 -0.028 0.000 1.183 242 G CA 1.410 46.497 45.100 -0.022 0.000 0.776 242 G HN 0.601 nan 8.290 nan 0.000 0.552 243 E N 0.796 120.974 120.200 -0.036 0.000 2.204 243 E HA 0.138 4.512 4.350 0.040 0.000 0.194 243 E C 2.546 179.109 176.600 -0.061 0.000 0.989 243 E CA 1.273 57.643 56.400 -0.050 0.000 0.824 243 E CB -0.401 29.265 29.700 -0.057 0.000 0.756 243 E HN 0.308 nan 8.360 nan 0.000 0.477 244 A N 0.691 123.484 122.820 -0.046 0.000 1.897 244 A HA -0.096 4.248 4.320 0.040 0.000 0.215 244 A C 2.260 179.844 177.584 -0.000 0.000 1.181 244 A CA 1.451 53.472 52.037 -0.027 0.000 0.620 244 A CB -0.529 18.470 19.000 -0.001 0.000 0.821 244 A HN 0.253 nan 8.150 nan 0.000 0.443 245 R N -0.369 120.127 120.500 -0.008 0.000 2.091 245 R HA -0.155 4.209 4.340 0.040 0.000 0.238 245 R C 2.454 178.750 176.300 -0.008 0.000 1.136 245 R CA 1.668 57.763 56.100 -0.007 0.000 0.959 245 R CB -0.331 29.961 30.300 -0.012 0.000 0.856 245 R HN 0.520 nan 8.270 nan 0.000 0.437 246 R N 0.553 121.041 120.500 -0.019 0.000 2.080 246 R HA -0.172 4.192 4.340 0.040 0.000 0.236 246 R C 2.202 178.491 176.300 -0.019 0.000 1.137 246 R CA 2.090 58.178 56.100 -0.021 0.000 0.943 246 R CB -0.182 30.100 30.300 -0.031 0.000 0.846 246 R HN 0.280 nan 8.270 nan 0.000 0.431 247 R N -0.197 120.276 120.500 -0.044 0.000 2.092 247 R HA -0.043 4.321 4.340 0.040 0.000 0.231 247 R C 2.382 178.739 176.300 0.096 0.000 1.119 247 R CA 1.119 57.180 56.100 -0.064 0.000 0.970 247 R CB -0.330 29.785 30.300 -0.309 0.000 0.864 247 R HN 0.290 nan 8.270 nan 0.000 0.440 248 A N 0.968 123.875 122.820 0.145 0.000 1.851 248 A HA -0.243 4.101 4.320 0.040 0.000 0.216 248 A C 2.353 179.965 177.584 0.046 0.000 1.195 248 A CA 2.363 54.484 52.037 0.141 0.000 0.622 248 A CB -1.243 17.780 19.000 0.039 0.000 0.831 248 A HN 0.491 nan 8.150 nan 0.000 0.444 249 T N -1.793 112.770 114.554 0.015 0.000 2.867 249 T HA -0.126 4.248 4.350 0.040 0.000 0.268 249 T C 1.779 176.483 174.700 0.008 0.000 1.057 249 T CA 1.589 63.688 62.100 -0.002 0.000 1.136 249 T CB -0.464 68.399 68.868 -0.008 0.000 0.874 249 T HN 0.343 nan 8.240 nan 0.000 0.466 250 L N 0.530 121.764 121.223 0.019 0.000 2.083 250 L HA 0.220 4.584 4.340 0.040 0.000 0.209 250 L C 2.271 179.158 176.870 0.028 0.000 1.083 250 L CA 1.615 56.466 54.840 0.018 0.000 0.752 250 L CB -1.106 40.964 42.059 0.018 0.000 0.899 250 L HN 0.402 nan 8.230 nan 0.000 0.433 251 L N -0.370 120.896 121.223 0.071 0.000 2.109 251 L HA 0.028 4.392 4.340 0.040 0.000 0.207 251 L C 2.502 179.388 176.870 0.026 0.000 1.086 251 L CA 1.630 56.519 54.840 0.082 0.000 0.760 251 L CB -0.683 41.477 42.059 0.169 0.000 0.910 251 L HN 0.273 nan 8.230 nan 0.000 0.437 252 A N -0.087 122.737 122.820 0.007 0.000 1.908 252 A HA -0.284 4.060 4.320 0.040 0.000 0.218 252 A C 2.504 180.086 177.584 -0.003 0.000 1.181 252 A CA 2.000 54.034 52.037 -0.005 0.000 0.627 252 A CB -0.688 18.301 19.000 -0.019 0.000 0.818 252 A HN 0.533 nan 8.150 nan 0.000 0.445 253 R N -0.173 120.321 120.500 -0.011 0.000 2.066 253 R HA -0.026 4.338 4.340 0.040 0.000 0.232 253 R C 1.816 178.088 176.300 -0.047 0.000 1.131 253 R CA 1.448 57.536 56.100 -0.020 0.000 0.955 253 R CB -0.420 29.869 30.300 -0.018 0.000 0.851 253 R HN 0.518 nan 8.270 nan 0.000 0.432 254 L N 1.210 122.377 121.223 -0.093 0.000 2.450 254 L HA -0.078 4.286 4.340 0.040 0.000 0.224 254 L C 1.688 178.449 176.870 -0.183 0.000 1.149 254 L CA 0.719 55.408 54.840 -0.252 0.000 0.816 254 L CB -0.116 41.660 42.059 -0.472 0.000 0.932 254 L HN 0.249 nan 8.230 nan 0.000 0.449 255 V N -4.453 115.451 119.914 -0.017 0.000 3.276 255 V HA 0.538 4.682 4.120 0.040 0.000 0.319 255 V C 0.877 177.003 176.094 0.053 0.000 1.427 255 V CA 0.049 62.397 62.300 0.080 0.000 1.102 255 V CB -0.062 31.838 31.823 0.127 0.000 1.020 255 V HN 0.346 nan 8.190 nan 0.000 0.456 256 G N -0.097 108.718 108.800 0.024 0.000 2.401 256 G HA2 -0.170 3.814 3.960 0.040 0.000 0.283 256 G HA3 -0.170 3.814 3.960 0.040 0.000 0.283 256 G C -0.234 174.679 174.900 0.021 0.000 1.117 256 G CA 0.017 45.131 45.100 0.023 0.000 1.051 256 G HN 0.807 nan 8.290 nan 0.000 0.510 266 D N 1.543 121.939 120.400 -0.007 0.000 2.087 266 D HA -0.107 4.557 4.640 0.040 0.000 0.192 266 D C 1.305 177.600 176.300 -0.008 0.000 0.993 266 D CA 2.172 56.164 54.000 -0.014 0.000 0.828 266 D CB -0.366 40.426 40.800 -0.015 0.000 0.968 266 D HN 0.701 nan 8.370 nan 0.000 0.448 267 T N 1.457 116.012 114.554 0.002 0.000 2.649 267 T HA -0.231 4.143 4.350 0.040 0.000 0.268 267 T C 1.838 176.546 174.700 0.014 0.000 1.036 267 T CA 1.888 63.995 62.100 0.011 0.000 1.157 267 T CB -0.366 68.510 68.868 0.013 0.000 0.861 267 T HN 0.324 nan 8.240 nan 0.000 0.445 268 E N 0.562 120.767 120.200 0.009 0.000 2.031 268 E HA -0.031 4.343 4.350 0.040 0.000 0.193 268 E C 2.244 178.850 176.600 0.011 0.000 0.994 268 E CA 0.846 57.253 56.400 0.011 0.000 0.800 268 E CB -0.364 29.341 29.700 0.008 0.000 0.752 268 E HN 0.346 nan 8.360 nan 0.000 0.447 269 L N 0.916 122.139 121.223 0.001 0.000 1.990 269 L HA -0.252 4.111 4.340 0.040 0.000 0.213 269 L C 2.284 179.151 176.870 -0.005 0.000 1.072 269 L CA 1.473 56.309 54.840 -0.007 0.000 0.755 269 L CB -0.155 41.889 42.059 -0.024 0.000 0.889 269 L HN 0.176 nan 8.230 nan 0.000 0.432 270 I N -0.361 120.204 120.570 -0.009 0.000 2.252 270 I HA -0.271 3.923 4.170 0.040 0.000 0.245 270 I C 2.751 178.922 176.117 0.089 0.000 1.102 270 I CA 1.044 62.351 61.300 0.011 0.000 1.385 270 I CB -0.546 37.456 38.000 0.004 0.000 1.064 270 I HN 0.347 nan 8.210 nan 0.000 0.414 271 A N -0.112 122.745 122.820 0.063 0.000 1.883 271 A HA -0.329 4.015 4.320 0.040 0.000 0.217 271 A C 2.550 180.173 177.584 0.066 0.000 1.186 271 A CA 2.140 54.215 52.037 0.064 0.000 0.624 271 A CB -1.476 17.549 19.000 0.041 0.000 0.822 271 A HN 0.631 nan 8.150 nan 0.000 0.444 272 c N -0.638 117.994 118.600 0.052 0.000 2.425 272 c HA -0.006 4.588 4.570 0.040 0.000 0.277 272 c C 2.595 176.727 174.090 0.071 0.000 1.280 272 c CA 1.080 57.439 56.329 0.049 0.000 1.744 272 c CB -1.603 40.928 42.510 0.034 0.000 1.989 272 c HN 0.583 nan 8.230 nan 0.000 0.491 273 L N 0.197 121.479 121.223 0.098 0.000 2.083 273 L HA -0.096 4.268 4.340 0.040 0.000 0.209 273 L C 2.968 179.964 176.870 0.210 0.000 1.083 273 L CA 1.479 56.415 54.840 0.160 0.000 0.752 273 L CB -0.656 41.505 42.059 0.169 0.000 0.899 273 L HN 0.327 nan 8.230 nan 0.000 0.433 274 R N -0.576 120.048 120.500 0.207 0.000 2.293 274 R HA -0.127 4.237 4.340 0.040 0.000 0.219 274 R C 1.851 178.169 176.300 0.030 0.000 1.091 274 R CA 1.592 57.743 56.100 0.086 0.000 1.004 274 R CB -0.288 30.056 30.300 0.073 0.000 0.865 274 R HN 0.473 nan 8.270 nan 0.000 0.469 275 T N -2.012 112.570 114.554 0.046 0.000 3.122 275 T HA 0.169 4.543 4.350 0.040 0.000 0.250 275 T C 0.587 175.302 174.700 0.025 0.000 1.067 275 T CA -0.354 61.762 62.100 0.026 0.000 0.966 275 T CB 0.260 69.145 68.868 0.028 0.000 1.002 275 T HN -0.158 nan 8.240 nan 0.000 0.542 276 R N 2.534 123.057 120.500 0.038 0.000 2.312 276 R HA 0.451 4.815 4.340 0.040 0.000 0.311 276 R C -2.813 173.496 176.300 0.016 0.000 1.004 276 R CA -2.656 53.467 56.100 0.038 0.000 0.902 276 R CB 0.545 30.882 30.300 0.062 0.000 1.073 276 R HN 0.221 nan 8.270 nan 0.000 0.457 277 P HA -0.096 nan 4.420 nan 0.000 0.264 277 P C 0.442 177.714 177.300 -0.047 0.000 1.179 277 P CA 0.363 63.440 63.100 -0.038 0.000 0.763 277 P CB 0.560 32.248 31.700 -0.019 0.000 0.806 278 A N 3.063 125.776 122.820 -0.178 0.000 1.903 278 A HA -0.299 4.045 4.320 0.040 0.000 0.219 278 A C 2.125 179.683 177.584 -0.043 0.000 1.191 278 A CA 2.133 54.044 52.037 -0.210 0.000 0.638 278 A CB -1.318 16.992 19.000 -1.150 0.000 0.823 278 A HN 0.556 nan 8.150 nan 0.000 0.451 279 Q N -0.217 119.537 119.800 -0.077 0.000 2.291 279 Q HA -0.135 4.229 4.340 0.040 0.000 0.205 279 Q C 1.126 177.206 176.000 0.134 0.000 0.970 279 Q CA 1.749 57.666 55.803 0.188 0.000 0.876 279 Q CB -0.343 28.523 28.738 0.215 0.000 0.935 279 Q HN 0.660 nan 8.270 nan 0.000 0.455 280 D N -0.903 119.544 120.400 0.078 0.000 2.117 280 D HA -0.121 4.543 4.640 0.040 0.000 0.198 280 D C 1.404 177.749 176.300 0.075 0.000 0.982 280 D CA 0.691 54.731 54.000 0.067 0.000 0.828 280 D CB -0.036 40.810 40.800 0.076 0.000 0.967 280 D HN 0.210 nan 8.370 nan 0.000 0.464 281 L N 0.364 121.633 121.223 0.077 0.000 2.017 281 L HA -0.117 4.247 4.340 0.040 0.000 0.208 281 L C 2.458 179.348 176.870 0.033 0.000 1.073 281 L CA 1.010 55.861 54.840 0.020 0.000 0.745 281 L CB -0.903 41.077 42.059 -0.132 0.000 0.894 281 L HN -0.032 nan 8.230 nan 0.000 0.432 282 V N -0.379 119.622 119.914 0.144 0.000 2.490 282 V HA -0.270 3.874 4.120 0.040 0.000 0.250 282 V C 2.048 178.228 176.094 0.143 0.000 1.061 282 V CA 1.528 63.957 62.300 0.215 0.000 1.064 282 V CB -0.616 31.466 31.823 0.432 0.000 0.670 282 V HN 0.401 nan 8.190 nan 0.000 0.461 283 D N -0.985 119.447 120.400 0.054 0.000 2.263 283 D HA -0.119 4.545 4.640 0.040 0.000 0.208 283 D C 1.760 177.887 176.300 -0.289 0.000 0.971 283 D CA 1.162 55.107 54.000 -0.093 0.000 0.867 283 D CB -0.135 40.537 40.800 -0.214 0.000 0.929 283 D HN 0.525 nan 8.370 nan 0.000 0.492 284 H N -0.859 118.220 119.070 0.014 0.000 2.893 284 H HA 0.176 4.756 4.556 0.040 0.000 0.270 284 H C 1.432 176.655 175.328 -0.175 0.000 1.095 284 H CA -0.103 55.889 56.048 -0.094 0.000 1.186 284 H CB 0.585 30.408 29.762 0.102 0.000 1.562 284 H HN 0.232 nan 8.280 nan 0.000 0.536 285 E N 0.618 120.778 120.200 -0.066 0.000 2.108 285 E HA -0.220 4.154 4.350 0.040 0.000 0.203 285 E C 0.741 177.195 176.600 -0.244 0.000 1.022 285 E CA 1.586 57.910 56.400 -0.127 0.000 0.823 285 E CB 0.010 29.513 29.700 -0.328 0.000 0.744 285 E HN 0.445 nan 8.360 nan 0.000 0.456 286 W N -0.857 120.301 121.300 -0.236 0.000 3.292 286 W HA 0.068 4.752 4.660 0.040 0.000 0.263 286 W C 0.801 177.300 176.519 -0.034 0.000 1.318 286 W CA 0.173 57.398 57.345 -0.201 0.000 1.663 286 W CB 0.223 29.526 29.460 -0.262 0.000 1.114 286 W HN 0.227 nan 8.180 nan 0.000 0.706 287 H N -0.935 118.276 119.070 0.236 0.000 2.528 287 H HA 0.088 4.668 4.556 0.040 0.000 0.282 287 H C 1.596 176.980 175.328 0.094 0.000 1.097 287 H CA 0.022 56.174 56.048 0.172 0.000 1.121 287 H CB 0.281 30.159 29.762 0.194 0.000 1.590 287 H HN 0.096 nan 8.280 nan 0.000 0.553 288 V N -1.878 118.117 119.914 0.135 0.000 3.578 288 V HA 0.227 4.371 4.120 0.040 0.000 0.290 288 V C 0.499 176.580 176.094 -0.020 0.000 1.376 288 V CA -0.238 62.082 62.300 0.033 0.000 1.083 288 V CB -0.223 31.578 31.823 -0.036 0.000 0.911 288 V HN 0.165 nan 8.190 nan 0.000 0.433 289 L N 2.874 124.109 121.223 0.020 0.000 2.455 289 L HA 0.222 4.586 4.340 0.040 0.000 0.272 289 L C -0.338 176.539 176.870 0.012 0.000 1.174 289 L CA -0.926 53.918 54.840 0.007 0.000 0.869 289 L CB 0.890 42.986 42.059 0.061 0.000 1.130 289 L HN 0.158 nan 8.230 nan 0.000 0.474 290 P HA -0.108 nan 4.420 nan 0.000 0.222 290 P C -0.266 177.036 177.300 0.004 0.000 1.147 290 P CA 1.135 64.231 63.100 -0.007 0.000 0.790 290 P CB 0.469 32.158 31.700 -0.019 0.000 0.780 291 Q N -1.627 118.179 119.800 0.010 0.000 2.626 291 Q HA 0.348 4.712 4.340 0.040 0.000 0.300 291 Q C -0.776 175.238 176.000 0.023 0.000 0.988 291 Q CA -0.779 55.032 55.803 0.014 0.000 0.761 291 Q CB 1.085 29.827 28.738 0.007 0.000 1.494 291 Q HN -0.103 nan 8.270 nan 0.000 0.439 292 E N 0.869 121.081 120.200 0.021 0.000 2.324 292 E HA 0.394 4.768 4.350 0.040 0.000 0.271 292 E C -1.066 175.544 176.600 0.017 0.000 1.028 292 E CA 0.092 56.506 56.400 0.024 0.000 0.890 292 E CB 0.403 30.116 29.700 0.021 0.000 1.004 292 E HN 0.575 nan 8.360 nan 0.000 0.431 293 S N 3.798 119.507 115.700 0.015 0.000 2.588 293 S HA 0.587 5.081 4.470 0.040 0.000 0.269 293 S C -0.411 174.185 174.600 -0.006 0.000 1.157 293 S CA -1.061 57.141 58.200 0.004 0.000 0.824 293 S CB 0.672 63.870 63.200 -0.003 0.000 1.126 293 S HN 0.531 nan 8.310 nan 0.000 0.464 294 I N -2.287 118.279 120.570 -0.008 0.000 2.797 294 I HA 0.749 4.943 4.170 0.040 0.000 0.307 294 I C -0.200 175.886 176.117 -0.052 0.000 1.033 294 I CA -1.135 60.161 61.300 -0.006 0.000 1.071 294 I CB 0.882 38.916 38.000 0.056 0.000 1.255 294 I HN 0.736 nan 8.210 nan 0.000 0.445 295 F N 1.640 121.384 119.950 -0.342 0.000 3.067 295 F HA -0.221 4.330 4.527 0.039 0.000 0.279 295 F C -0.034 175.243 175.800 -0.871 0.000 0.945 295 F CA 0.765 58.324 58.000 -0.736 0.000 0.948 295 F CB -0.829 37.624 39.000 -0.912 0.000 0.898 295 F HN 0.699 nan 8.300 nan 0.000 0.746 296 R N 0.466 120.556 120.500 -0.683 0.000 2.621 296 R HA 0.732 5.096 4.340 0.040 0.000 0.284 296 R C -1.489 174.468 176.300 -0.572 0.000 0.998 296 R CA -0.404 55.371 56.100 -0.542 0.000 0.895 296 R CB 1.096 31.304 30.300 -0.153 0.000 1.195 296 R HN -0.025 nan 8.270 nan 0.000 0.450 297 F N 0.759 120.836 119.950 0.212 0.000 2.565 297 F HA 0.353 4.904 4.527 0.040 0.000 0.313 297 F C 1.107 176.866 175.800 -0.068 0.000 1.091 297 F CA -0.891 57.175 58.000 0.110 0.000 0.915 297 F CB 2.388 41.531 39.000 0.238 0.000 1.208 297 F HN 0.478 nan 8.300 nan 0.000 0.453 298 S N 0.775 116.412 115.700 -0.106 0.000 2.368 298 S HA -0.005 4.489 4.470 0.040 0.000 0.224 298 S C -0.094 174.091 174.600 -0.692 0.000 1.029 298 S CA 1.141 59.094 58.200 -0.413 0.000 0.988 298 S CB -0.222 62.692 63.200 -0.477 0.000 0.838 298 S HN 0.369 nan 8.310 nan 0.000 0.462 299 F N 1.264 121.220 119.950 0.010 0.000 2.496 299 F HA 0.590 5.141 4.527 0.040 0.000 0.341 299 F C -0.149 175.657 175.800 0.010 0.000 1.134 299 F CA -0.978 57.049 58.000 0.046 0.000 0.968 299 F CB 1.714 40.762 39.000 0.080 0.000 1.205 299 F HN -0.102 nan 8.300 nan 0.000 0.436 300 V N 0.816 120.697 119.914 -0.055 0.000 3.182 300 V HA 0.764 4.908 4.120 0.040 0.000 0.308 300 V C -2.982 172.755 176.094 -0.596 0.000 1.240 300 V CA -3.171 58.754 62.300 -0.624 0.000 1.063 300 V CB 2.065 33.684 31.823 -0.339 0.000 1.076 300 V HN 0.282 nan 8.190 nan 0.000 0.446 301 P HA 0.230 nan 4.420 nan 0.000 0.267 301 P C -0.869 176.286 177.300 -0.242 0.000 1.201 301 P CA 0.300 63.121 63.100 -0.466 0.000 0.775 301 P CB 0.655 32.002 31.700 -0.588 0.000 0.854 302 V N 4.065 123.911 119.914 -0.112 0.000 2.588 302 V HA 0.229 4.373 4.120 0.040 0.000 0.304 302 V C -0.538 175.532 176.094 -0.040 0.000 1.042 302 V CA -0.993 61.267 62.300 -0.065 0.000 0.877 302 V CB 2.124 33.937 31.823 -0.016 0.000 0.996 302 V HN 0.163 nan 8.190 nan 0.000 0.425 303 V N 7.443 127.333 119.914 -0.040 0.000 2.416 303 V HA 0.157 4.301 4.120 0.040 0.000 0.267 303 V C 0.795 176.892 176.094 0.004 0.000 1.007 303 V CA 0.616 62.907 62.300 -0.014 0.000 1.102 303 V CB 0.096 31.905 31.823 -0.023 0.000 1.035 303 V HN 1.038 nan 8.190 nan 0.000 0.473 304 D N 2.856 123.274 120.400 0.029 0.000 2.431 304 D HA 0.154 4.818 4.640 0.040 0.000 0.213 304 D C 1.453 177.774 176.300 0.036 0.000 1.130 304 D CA 0.330 54.350 54.000 0.034 0.000 0.834 304 D CB 0.456 41.287 40.800 0.052 0.000 0.985 304 D HN 0.690 nan 8.370 nan 0.000 0.504 305 G N 0.878 109.697 108.800 0.032 0.000 2.200 305 G HA2 -0.367 3.617 3.960 0.040 0.000 0.267 305 G HA3 -0.367 3.617 3.960 0.040 0.000 0.267 305 G C 0.450 175.369 174.900 0.032 0.000 0.993 305 G CA 1.144 46.259 45.100 0.025 0.000 0.701 305 G HN 0.534 nan 8.290 nan 0.000 0.524 306 D N -1.635 118.800 120.400 0.058 0.000 3.074 306 D HA 0.199 4.863 4.640 0.040 0.000 0.227 306 D C 1.780 178.127 176.300 0.079 0.000 1.553 306 D CA 0.291 54.329 54.000 0.062 0.000 1.347 306 D CB -0.572 40.275 40.800 0.079 0.000 1.021 306 D HN 0.064 nan 8.370 nan 0.000 0.260 307 F N 1.278 121.230 119.950 0.003 0.000 2.069 307 F HA 0.136 4.687 4.527 0.040 0.000 0.298 307 F C 0.647 176.440 175.800 -0.012 0.000 1.113 307 F CA 1.234 59.233 58.000 -0.002 0.000 1.214 307 F CB 0.068 39.063 39.000 -0.008 0.000 0.978 307 F HN -0.023 nan 8.300 nan 0.000 0.474 308 L N 0.859 122.253 121.223 0.285 0.000 2.276 308 L HA 0.196 4.560 4.340 0.040 0.000 0.286 308 L C 1.387 178.299 176.870 0.070 0.000 1.024 308 L CA -0.160 54.771 54.840 0.152 0.000 0.826 308 L CB 1.359 43.488 42.059 0.118 0.000 1.211 308 L HN 0.106 nan 8.230 nan 0.000 0.422 309 S N 0.601 116.322 115.700 0.035 0.000 2.406 309 S HA -0.014 4.480 4.470 0.040 0.000 0.228 309 S C 0.500 175.107 174.600 0.012 0.000 1.020 309 S CA 0.470 58.679 58.200 0.016 0.000 0.965 309 S CB 0.212 63.411 63.200 -0.002 0.000 0.798 309 S HN 0.692 nan 8.310 nan 0.000 0.488 310 D N 0.392 120.800 120.400 0.013 0.000 2.744 310 D HA 0.353 5.017 4.640 0.040 0.000 0.304 310 D C -0.614 175.687 176.300 0.003 0.000 1.179 310 D CA -0.037 53.966 54.000 0.005 0.000 1.024 310 D CB 1.704 42.505 40.800 0.002 0.000 1.453 310 D HN 0.263 nan 8.370 nan 0.000 0.529 311 T N -1.260 113.288 114.554 -0.009 0.000 2.855 311 T HA 0.219 4.593 4.350 0.040 0.000 0.314 311 T C -1.817 172.873 174.700 -0.016 0.000 1.077 311 T CA -0.722 61.364 62.100 -0.023 0.000 1.095 311 T CB 1.002 69.849 68.868 -0.034 0.000 0.987 311 T HN 0.098 nan 8.240 nan 0.000 0.546 312 P HA -0.144 nan 4.420 nan 0.000 0.215 312 P C 1.711 179.001 177.300 -0.016 0.000 1.153 312 P CA 1.117 64.201 63.100 -0.027 0.000 0.853 312 P CB 0.034 31.687 31.700 -0.077 0.000 0.788 313 E N 0.162 120.341 120.200 -0.034 0.000 2.051 313 E HA -0.190 4.184 4.350 0.040 0.000 0.192 313 E C 2.066 178.669 176.600 0.005 0.000 0.991 313 E CA 1.672 58.059 56.400 -0.022 0.000 0.799 313 E CB -1.445 28.234 29.700 -0.035 0.000 0.748 313 E HN 0.171 nan 8.360 nan 0.000 0.449 314 A N 2.331 125.153 122.820 0.003 0.000 1.865 314 A HA -0.134 4.210 4.320 0.040 0.000 0.217 314 A C 2.529 180.132 177.584 0.032 0.000 1.191 314 A CA 1.517 53.561 52.037 0.012 0.000 0.623 314 A CB -0.903 18.098 19.000 0.002 0.000 0.826 314 A HN 0.205 nan 8.150 nan 0.000 0.444 315 L N -0.026 121.222 121.223 0.043 0.000 2.083 315 L HA -0.175 4.189 4.340 0.040 0.000 0.209 315 L C 2.581 179.548 176.870 0.161 0.000 1.083 315 L CA 1.659 56.544 54.840 0.076 0.000 0.752 315 L CB -0.703 41.404 42.059 0.081 0.000 0.899 315 L HN 0.699 nan 8.230 nan 0.000 0.433 316 I N -3.495 117.174 120.570 0.164 0.000 2.617 316 I HA -0.088 4.106 4.170 0.040 0.000 0.256 316 I C 1.946 178.200 176.117 0.228 0.000 1.167 316 I CA 1.008 62.461 61.300 0.254 0.000 1.469 316 I CB -0.414 37.634 38.000 0.081 0.000 1.098 316 I HN 0.145 nan 8.210 nan 0.000 0.436 317 N N 1.665 120.437 118.700 0.119 0.000 2.244 317 N HA -0.109 4.655 4.740 0.040 0.000 0.183 317 N C 1.799 177.353 175.510 0.074 0.000 1.016 317 N CA 2.169 55.270 53.050 0.085 0.000 0.866 317 N CB -0.208 38.307 38.487 0.045 0.000 0.980 317 N HN 0.677 nan 8.380 nan 0.000 0.430 318 T N -3.904 110.683 114.554 0.055 0.000 3.040 318 T HA 0.348 4.722 4.350 0.040 0.000 0.266 318 T C 0.851 175.509 174.700 -0.070 0.000 1.005 318 T CA -0.411 61.689 62.100 -0.000 0.000 0.906 318 T CB 0.164 69.026 68.868 -0.010 0.000 1.082 318 T HN 0.033 nan 8.240 nan 0.000 0.531 319 G N 0.758 109.497 108.800 -0.103 0.000 2.537 319 G HA2 0.464 4.448 3.960 0.040 0.000 0.273 319 G HA3 0.464 4.448 3.960 0.040 0.000 0.273 319 G C -1.267 173.218 174.900 -0.693 0.000 1.189 319 G CA -0.461 44.353 45.100 -0.476 0.000 0.881 319 G HN 0.325 nan 8.290 nan 0.000 0.535 320 D N -0.488 119.443 120.400 -0.783 0.000 2.303 320 D HA 0.438 5.102 4.640 0.040 0.000 0.236 320 D C -0.559 175.351 176.300 -0.650 0.000 1.068 320 D CA -0.679 53.003 54.000 -0.529 0.000 0.830 320 D CB 0.878 41.522 40.800 -0.260 0.000 1.109 320 D HN 0.082 nan 8.370 nan 0.000 0.496 321 F N 2.299 122.252 119.950 0.006 0.000 2.805 321 F HA 0.190 4.742 4.527 0.040 0.000 0.317 321 F C 1.913 177.720 175.800 0.011 0.000 1.146 321 F CA -0.510 57.498 58.000 0.012 0.000 1.265 321 F CB 0.318 39.333 39.000 0.025 0.000 0.992 321 F HN 0.281 nan 8.300 nan 0.000 0.511 322 Q N 0.796 120.652 119.800 0.092 0.000 1.954 322 Q HA -0.220 4.144 4.340 0.040 0.000 0.215 322 Q C 0.637 176.678 176.000 0.068 0.000 1.026 322 Q CA 1.810 57.650 55.803 0.062 0.000 0.881 322 Q CB -0.431 28.316 28.738 0.015 0.000 0.977 322 Q HN 0.353 nan 8.270 nan 0.000 0.416 323 D N 0.448 120.877 120.400 0.049 0.000 2.690 323 D HA 0.136 4.800 4.640 0.040 0.000 0.236 323 D C -0.326 176.006 176.300 0.054 0.000 1.218 323 D CA -0.049 53.974 54.000 0.038 0.000 0.829 323 D CB -0.261 40.547 40.800 0.013 0.000 1.009 323 D HN -0.003 nan 8.370 nan 0.000 0.482 324 L N 1.075 122.355 121.223 0.095 0.000 2.317 324 L HA 0.311 4.675 4.340 0.040 0.000 0.281 324 L C -0.793 176.151 176.870 0.123 0.000 1.024 324 L CA -0.456 54.455 54.840 0.118 0.000 0.810 324 L CB 1.755 43.922 42.059 0.180 0.000 1.240 324 L HN -0.189 nan 8.230 nan 0.000 0.427 325 Q N 3.478 123.365 119.800 0.145 0.000 2.333 325 Q HA 0.788 5.152 4.340 0.040 0.000 0.267 325 Q C -1.437 174.806 176.000 0.405 0.000 1.012 325 Q CA -0.507 55.435 55.803 0.231 0.000 0.824 325 Q CB 2.648 31.481 28.738 0.158 0.000 1.290 325 Q HN 0.440 nan 8.270 nan 0.000 0.449 326 V N 2.402 122.534 119.914 0.363 0.000 2.760 326 V HA 0.531 4.675 4.120 0.040 0.000 0.309 326 V C -1.497 174.563 176.094 -0.057 0.000 1.077 326 V CA -0.855 61.562 62.300 0.195 0.000 0.910 326 V CB 1.983 33.838 31.823 0.053 0.000 1.008 326 V HN 0.638 nan 8.190 nan 0.000 0.424 327 L N 6.755 127.740 121.223 -0.396 0.000 2.333 327 L HA 0.943 5.307 4.340 0.040 0.000 0.280 327 L C -0.554 176.170 176.870 -0.243 0.000 1.004 327 L CA -0.244 54.261 54.840 -0.558 0.000 0.820 327 L CB 1.771 43.036 42.059 -1.323 0.000 1.247 327 L HN 0.647 nan 8.230 nan 0.000 0.416 328 V N 1.832 121.657 119.914 -0.149 0.000 3.007 328 V HA 1.125 5.269 4.120 0.040 0.000 0.311 328 V C -0.306 175.509 176.094 -0.466 0.000 1.120 328 V CA 0.224 62.423 62.300 -0.169 0.000 0.980 328 V CB 1.237 32.949 31.823 -0.184 0.000 1.033 328 V HN 1.148 nan 8.190 nan 0.000 0.429 329 G N 0.856 109.269 108.800 -0.645 0.000 2.495 329 G HA2 0.803 4.786 3.960 0.040 0.000 0.294 329 G HA3 0.803 4.786 3.960 0.040 0.000 0.294 329 G C -1.227 173.406 174.900 -0.444 0.000 1.397 329 G CA 0.061 44.361 45.100 -1.334 0.000 0.790 329 G HN 2.108 nan 8.290 nan 0.000 0.486 330 V N -2.455 117.353 119.914 -0.177 0.000 3.159 330 V HA 0.918 5.062 4.120 0.040 0.000 0.308 330 V C 0.234 176.540 176.094 0.352 0.000 1.190 330 V CA -0.489 61.894 62.300 0.139 0.000 1.037 330 V CB 1.125 32.982 31.823 0.057 0.000 1.060 330 V HN 1.826 nan 8.190 nan 0.000 0.437 331 V N -0.576 119.553 119.914 0.359 0.000 2.973 331 V HA 0.566 4.710 4.120 0.040 0.000 0.314 331 V C 1.417 177.704 176.094 0.322 0.000 1.066 331 V CA -0.029 62.526 62.300 0.426 0.000 1.021 331 V CB 1.217 33.286 31.823 0.411 0.000 1.076 331 V HN 1.069 nan 8.190 nan 0.000 0.462 332 K N 0.274 120.861 120.400 0.310 0.000 2.103 332 K HA -0.121 4.223 4.320 0.040 0.000 0.207 332 K C 0.119 176.841 176.600 0.202 0.000 1.048 332 K CA 2.241 58.663 56.287 0.225 0.000 0.930 332 K CB -0.035 32.574 32.500 0.183 0.000 0.716 332 K HN 0.971 nan 8.250 nan 0.000 0.444 333 D N 0.500 121.030 120.400 0.217 0.000 2.749 333 D HA 0.055 4.719 4.640 0.040 0.000 0.338 333 D C 0.112 176.545 176.300 0.223 0.000 1.236 333 D CA -0.225 53.893 54.000 0.197 0.000 0.845 333 D CB 1.203 42.103 40.800 0.166 0.000 1.080 333 D HN 0.016 nan 8.370 nan 0.000 0.497 334 E N 0.665 121.002 120.200 0.228 0.000 2.169 334 E HA -0.205 4.169 4.350 0.040 0.000 0.202 334 E C 2.122 178.883 176.600 0.268 0.000 1.016 334 E CA 1.409 57.960 56.400 0.251 0.000 0.817 334 E CB -0.165 29.634 29.700 0.165 0.000 0.736 334 E HN 0.553 nan 8.360 nan 0.000 0.462 335 G N 0.465 109.391 108.800 0.210 0.000 2.551 335 G HA2 -0.152 3.832 3.960 0.040 0.000 0.216 335 G HA3 -0.152 3.832 3.960 0.040 0.000 0.216 335 G C 1.706 176.784 174.900 0.296 0.000 1.137 335 G CA 0.875 46.107 45.100 0.220 0.000 0.798 335 G HN 0.390 nan 8.290 nan 0.000 0.536 336 S N -0.033 115.802 115.700 0.225 0.000 2.368 336 S HA -0.198 4.296 4.470 0.040 0.000 0.225 336 S C 2.109 176.739 174.600 0.050 0.000 1.030 336 S CA 1.184 59.467 58.200 0.138 0.000 0.999 336 S CB -0.817 62.398 63.200 0.024 0.000 0.844 336 S HN 0.403 nan 8.310 nan 0.000 0.459 337 Y N 1.496 121.713 120.300 -0.138 0.000 2.228 337 Y HA -0.183 4.390 4.550 0.039 0.000 0.285 337 Y C 1.600 177.362 175.900 -0.230 0.000 1.178 337 Y CA 1.862 59.735 58.100 -0.377 0.000 1.202 337 Y CB -0.388 37.776 38.460 -0.493 0.000 0.974 337 Y HN 0.300 nan 8.280 nan 0.000 0.527 338 F N -1.286 118.760 119.950 0.159 0.000 2.615 338 F HA -0.031 4.520 4.527 0.039 0.000 0.297 338 F C 1.804 177.666 175.800 0.104 0.000 1.124 338 F CA 0.475 58.552 58.000 0.128 0.000 1.451 338 F CB -0.272 38.722 39.000 -0.011 0.000 1.103 338 F HN -0.012 nan 8.300 nan 0.000 0.569 339 L N -0.190 121.132 121.223 0.164 0.000 2.072 339 L HA -0.121 4.243 4.340 0.040 0.000 0.205 339 L C 2.546 179.477 176.870 0.103 0.000 1.079 339 L CA 1.014 55.816 54.840 -0.063 0.000 0.752 339 L CB -0.821 40.907 42.059 -0.551 0.000 0.906 339 L HN 0.141 nan 8.230 nan 0.000 0.436 340 V N -3.681 116.345 119.914 0.187 0.000 3.026 340 V HA -0.228 3.916 4.120 0.040 0.000 0.265 340 V C 0.946 177.044 176.094 0.007 0.000 1.121 340 V CA 0.975 63.390 62.300 0.192 0.000 1.142 340 V CB -1.310 30.629 31.823 0.194 0.000 0.730 340 V HN 0.286 nan 8.190 nan 0.000 0.503 341 Y N 2.244 122.571 120.300 0.044 0.000 2.903 341 Y HA 0.618 5.191 4.550 0.040 0.000 0.387 341 Y C 1.534 177.431 175.900 -0.004 0.000 1.189 341 Y CA 0.256 58.352 58.100 -0.007 0.000 1.856 341 Y CB 0.073 38.516 38.460 -0.029 0.000 1.917 341 Y HN 0.413 nan 8.280 nan 0.000 0.448 342 G N -0.427 108.436 108.800 0.105 0.000 2.163 342 G HA2 -0.229 3.755 3.960 0.040 0.000 0.213 342 G HA3 -0.229 3.755 3.960 0.040 0.000 0.213 342 G C -0.403 174.564 174.900 0.112 0.000 0.991 342 G CA -0.201 44.949 45.100 0.083 0.000 0.653 342 G HN 0.207 nan 8.290 nan 0.000 0.518 343 V N 2.339 122.352 119.914 0.164 0.000 2.389 343 V HA 0.362 4.506 4.120 0.040 0.000 0.264 343 V C -1.592 174.696 176.094 0.324 0.000 1.049 343 V CA -1.433 60.998 62.300 0.220 0.000 0.932 343 V CB 1.099 33.027 31.823 0.174 0.000 1.011 343 V HN 0.123 nan 8.190 nan 0.000 0.475 344 P HA 0.224 nan 4.420 nan 0.000 0.260 344 P C 0.992 178.346 177.300 0.090 0.000 1.185 344 P CA 1.248 64.421 63.100 0.123 0.000 0.763 344 P CB 0.506 32.251 31.700 0.074 0.000 0.776 345 G N 2.020 110.811 108.800 -0.015 0.000 2.380 345 G HA2 -0.176 3.808 3.960 0.040 0.000 0.197 345 G HA3 -0.176 3.808 3.960 0.040 0.000 0.197 345 G C -0.273 174.359 174.900 -0.447 0.000 1.001 345 G CA -0.621 44.312 45.100 -0.277 0.000 0.668 345 G HN 0.381 nan 8.290 nan 0.000 0.483 346 F N 1.825 121.780 119.950 0.007 0.000 2.443 346 F HA 0.802 5.353 4.527 0.039 0.000 0.335 346 F C 0.555 176.441 175.800 0.144 0.000 1.104 346 F CA -0.191 57.838 58.000 0.049 0.000 1.013 346 F CB 2.283 41.366 39.000 0.138 0.000 1.136 346 F HN 0.216 nan 8.300 nan 0.000 0.470 347 S N 1.717 117.651 115.700 0.390 0.000 2.570 347 S HA 0.324 4.818 4.470 0.040 0.000 0.270 347 S C 0.110 175.029 174.600 0.533 0.000 1.149 347 S CA -0.907 57.526 58.200 0.388 0.000 0.837 347 S CB 1.528 64.857 63.200 0.216 0.000 1.124 347 S HN 0.756 nan 8.310 nan 0.000 0.465 348 K N 1.155 121.790 120.400 0.392 0.000 2.486 348 K HA 0.138 4.482 4.320 0.040 0.000 0.194 348 K C 0.198 176.844 176.600 0.077 0.000 1.033 348 K CA 0.884 57.293 56.287 0.203 0.000 1.004 348 K CB -0.049 32.352 32.500 -0.165 0.000 0.798 348 K HN 0.456 nan 8.250 nan 0.000 0.495 349 D N 1.205 121.657 120.400 0.087 0.000 2.269 349 D HA -0.043 4.621 4.640 0.040 0.000 0.220 349 D C 0.328 176.668 176.300 0.068 0.000 0.962 349 D CA 0.670 54.678 54.000 0.014 0.000 0.884 349 D CB -0.069 40.718 40.800 -0.021 0.000 1.023 349 D HN 0.423 nan 8.370 nan 0.000 0.484 350 N N 0.431 119.182 118.700 0.085 0.000 2.476 350 N HA 0.066 4.830 4.740 0.040 0.000 0.287 350 N C 0.379 175.921 175.510 0.052 0.000 1.262 350 N CA -0.318 52.754 53.050 0.037 0.000 0.980 350 N CB 0.436 38.904 38.487 -0.032 0.000 1.163 350 N HN -0.200 nan 8.380 nan 0.000 0.592 351 E N -0.956 119.202 120.200 -0.070 0.000 2.476 351 E HA 0.035 4.409 4.350 0.040 0.000 0.191 351 E C -0.476 175.774 176.600 -0.585 0.000 1.064 351 E CA -0.080 56.206 56.400 -0.191 0.000 0.866 351 E CB -0.326 29.314 29.700 -0.099 0.000 0.952 351 E HN 0.573 nan 8.360 nan 0.000 0.492 352 S N 0.730 116.111 115.700 -0.532 0.000 3.486 352 S HA -0.204 4.290 4.470 0.040 0.000 0.371 352 S C 0.398 174.574 174.600 -0.708 0.000 1.001 352 S CA 0.328 58.090 58.200 -0.730 0.000 1.164 352 S CB -1.635 60.931 63.200 -1.057 0.000 0.911 352 S HN 0.339 nan 8.310 nan 0.000 0.472 353 L N 1.279 122.234 121.223 -0.446 0.000 2.455 353 L HA 0.446 4.810 4.340 0.040 0.000 0.272 353 L C 0.724 177.400 176.870 -0.323 0.000 1.174 353 L CA 0.029 54.672 54.840 -0.328 0.000 0.869 353 L CB 0.148 42.080 42.059 -0.212 0.000 1.130 353 L HN 0.440 nan 8.230 nan 0.000 0.474 354 I N -0.586 119.818 120.570 -0.277 0.000 3.002 354 I HA 0.653 4.847 4.170 0.040 0.000 0.310 354 I C 0.201 176.250 176.117 -0.113 0.000 1.087 354 I CA -0.761 60.399 61.300 -0.234 0.000 1.017 354 I CB 2.138 39.968 38.000 -0.285 0.000 1.226 354 I HN 0.574 nan 8.210 nan 0.000 0.443 355 S N 1.888 117.548 115.700 -0.067 0.000 2.652 355 S HA 0.378 4.872 4.470 0.040 0.000 0.270 355 S C 0.894 175.517 174.600 0.040 0.000 1.243 355 S CA -0.453 57.735 58.200 -0.019 0.000 0.999 355 S CB 1.623 64.816 63.200 -0.012 0.000 0.973 355 S HN 0.887 nan 8.310 nan 0.000 0.544 356 R N 0.646 121.174 120.500 0.047 0.000 2.120 356 R HA -0.046 4.318 4.340 0.040 0.000 0.234 356 R C 2.220 178.610 176.300 0.151 0.000 1.123 356 R CA 1.487 57.653 56.100 0.111 0.000 0.975 356 R CB -1.017 29.324 30.300 0.069 0.000 0.866 356 R HN 0.829 nan 8.270 nan 0.000 0.446 357 A N 0.468 123.341 122.820 0.088 0.000 1.873 357 A HA -0.206 4.138 4.320 0.040 0.000 0.215 357 A C 2.046 179.676 177.584 0.077 0.000 1.186 357 A CA 1.483 53.562 52.037 0.070 0.000 0.616 357 A CB -0.504 18.520 19.000 0.041 0.000 0.823 357 A HN 0.479 nan 8.150 nan 0.000 0.442 358 Q N -1.635 118.211 119.800 0.077 0.000 2.084 358 Q HA -0.160 4.204 4.340 0.040 0.000 0.202 358 Q C 1.872 177.966 176.000 0.156 0.000 0.978 358 Q CA 1.701 57.556 55.803 0.086 0.000 0.844 358 Q CB -0.349 28.411 28.738 0.037 0.000 0.898 358 Q HN 0.772 nan 8.270 nan 0.000 0.426 359 F N 1.010 120.988 119.950 0.046 0.000 2.095 359 F HA -0.259 4.296 4.527 0.046 0.000 0.298 359 F C 1.677 177.517 175.800 0.065 0.000 1.104 359 F CA 1.261 59.303 58.000 0.071 0.000 1.232 359 F CB 0.027 39.055 39.000 0.046 0.000 0.987 359 F HN -0.015 nan 8.300 nan 0.000 0.475 360 L N 0.043 121.217 121.223 -0.082 0.000 2.046 360 L HA -0.188 4.176 4.340 0.040 0.000 0.208 360 L C 2.866 179.658 176.870 -0.130 0.000 1.077 360 L CA 1.060 55.794 54.840 -0.177 0.000 0.747 360 L CB -1.465 40.580 42.059 -0.023 0.000 0.896 360 L HN 0.259 nan 8.230 nan 0.000 0.432 361 A N 0.791 123.586 122.820 -0.041 0.000 1.902 361 A HA -0.124 4.220 4.320 0.040 0.000 0.217 361 A C 2.435 180.007 177.584 -0.021 0.000 1.181 361 A CA 1.763 53.792 52.037 -0.013 0.000 0.623 361 A CB -1.290 17.724 19.000 0.024 0.000 0.818 361 A HN 0.436 nan 8.150 nan 0.000 0.443 362 G N -0.740 108.055 108.800 -0.008 0.000 2.432 362 G HA2 -0.091 3.893 3.960 0.040 0.000 0.219 362 G HA3 -0.091 3.893 3.960 0.040 0.000 0.219 362 G C 1.432 176.286 174.900 -0.077 0.000 1.135 362 G CA 1.212 46.319 45.100 0.011 0.000 0.767 362 G HN 0.337 nan 8.290 nan 0.000 0.550 363 V N 0.798 120.592 119.914 -0.200 0.000 2.548 363 V HA -0.079 4.065 4.120 0.040 0.000 0.249 363 V C 2.889 178.926 176.094 -0.095 0.000 1.055 363 V CA 1.311 63.492 62.300 -0.198 0.000 1.065 363 V CB -0.331 31.287 31.823 -0.341 0.000 0.681 363 V HN 0.203 nan 8.190 nan 0.000 0.462 364 R N -0.073 120.383 120.500 -0.073 0.000 2.120 364 R HA 0.038 4.402 4.340 0.040 0.000 0.234 364 R C 2.014 178.301 176.300 -0.021 0.000 1.123 364 R CA 1.295 57.373 56.100 -0.037 0.000 0.975 364 R CB -0.720 29.566 30.300 -0.024 0.000 0.866 364 R HN 0.458 nan 8.270 nan 0.000 0.446 365 I N -0.559 120.001 120.570 -0.018 0.000 2.400 365 I HA -0.054 4.140 4.170 0.040 0.000 0.248 365 I C 2.250 178.365 176.117 -0.003 0.000 1.109 365 I CA 1.140 62.439 61.300 -0.002 0.000 1.425 365 I CB -0.463 37.546 38.000 0.014 0.000 1.094 365 I HN 0.193 nan 8.210 nan 0.000 0.425 366 G N 0.473 109.264 108.800 -0.016 0.000 2.408 366 G HA2 -0.101 3.883 3.960 0.040 0.000 0.217 366 G HA3 -0.101 3.883 3.960 0.040 0.000 0.217 366 G C 0.933 175.830 174.900 -0.004 0.000 1.150 366 G CA 0.473 45.565 45.100 -0.012 0.000 0.776 366 G HN 0.243 nan 8.290 nan 0.000 0.542 367 V N 2.427 122.319 119.914 -0.035 0.000 2.294 367 V HA 0.208 4.352 4.120 0.040 0.000 0.258 367 V C -1.303 174.780 176.094 -0.018 0.000 1.080 367 V CA -1.076 61.181 62.300 -0.072 0.000 1.128 367 V CB 1.239 33.007 31.823 -0.092 0.000 1.323 367 V HN 0.128 nan 8.190 nan 0.000 0.498 368 P HA -0.174 nan 4.420 nan 0.000 0.221 368 P C 1.043 178.347 177.300 0.006 0.000 1.145 368 P CA 1.151 64.255 63.100 0.007 0.000 0.795 368 P CB 0.547 32.254 31.700 0.013 0.000 0.775 369 Q N -0.699 119.110 119.800 0.014 0.000 2.403 369 Q HA 0.257 4.621 4.340 0.040 0.000 0.203 369 Q C 0.825 176.822 176.000 -0.006 0.000 0.932 369 Q CA -0.012 55.796 55.803 0.009 0.000 0.945 369 Q CB -0.195 28.559 28.738 0.026 0.000 1.045 369 Q HN 0.178 nan 8.270 nan 0.000 0.511 370 A N 0.728 123.541 122.820 -0.012 0.000 2.363 370 A HA 0.473 4.817 4.320 0.040 0.000 0.270 370 A C 0.385 177.958 177.584 -0.018 0.000 1.121 370 A CA -0.433 51.591 52.037 -0.021 0.000 0.800 370 A CB 0.304 19.291 19.000 -0.021 0.000 1.052 370 A HN 0.336 nan 8.150 nan 0.000 0.493 371 S N 1.870 117.556 115.700 -0.023 0.000 2.606 371 S HA 0.089 4.583 4.470 0.040 0.000 0.257 371 S C 0.380 174.976 174.600 -0.006 0.000 1.327 371 S CA 0.508 58.698 58.200 -0.016 0.000 0.984 371 S CB 0.214 63.401 63.200 -0.023 0.000 0.941 371 S HN 0.632 nan 8.310 nan 0.000 0.576 372 D N 0.184 120.584 120.400 0.000 0.000 2.117 372 D HA -0.080 4.584 4.640 0.040 0.000 0.197 372 D C 1.757 178.070 176.300 0.021 0.000 0.987 372 D CA 1.126 55.132 54.000 0.010 0.000 0.829 372 D CB -0.329 40.478 40.800 0.012 0.000 0.961 372 D HN 0.397 nan 8.370 nan 0.000 0.460 373 L N 0.571 121.806 121.223 0.020 0.000 2.046 373 L HA -0.026 4.338 4.340 0.040 0.000 0.208 373 L C 2.013 178.915 176.870 0.053 0.000 1.077 373 L CA 1.627 56.490 54.840 0.038 0.000 0.747 373 L CB -0.747 41.329 42.059 0.030 0.000 0.896 373 L HN 0.025 nan 8.230 nan 0.000 0.432 374 A N -0.478 122.354 122.820 0.020 0.000 1.902 374 A HA -0.075 4.269 4.320 0.040 0.000 0.217 374 A C 2.445 180.059 177.584 0.050 0.000 1.181 374 A CA 1.685 53.731 52.037 0.014 0.000 0.623 374 A CB -1.142 17.827 19.000 -0.052 0.000 0.818 374 A HN 0.569 nan 8.150 nan 0.000 0.443 375 A N -0.343 122.495 122.820 0.030 0.000 1.933 375 A HA -0.128 4.216 4.320 0.040 0.000 0.218 375 A C 1.960 179.578 177.584 0.056 0.000 1.175 375 A CA 2.114 54.167 52.037 0.026 0.000 0.628 375 A CB -0.430 18.569 19.000 -0.002 0.000 0.814 375 A HN 0.527 nan 8.150 nan 0.000 0.444 376 E N 0.510 120.755 120.200 0.074 0.000 2.051 376 E HA -0.082 4.292 4.350 0.040 0.000 0.192 376 E C 2.033 178.727 176.600 0.156 0.000 0.991 376 E CA 1.696 58.160 56.400 0.106 0.000 0.799 376 E CB -0.573 29.185 29.700 0.096 0.000 0.748 376 E HN 0.445 nan 8.360 nan 0.000 0.449 377 A N 0.113 123.044 122.820 0.185 0.000 1.940 377 A HA -0.172 4.172 4.320 0.040 0.000 0.219 377 A C 2.512 180.236 177.584 0.235 0.000 1.176 377 A CA 1.805 54.004 52.037 0.269 0.000 0.631 377 A CB -0.792 18.465 19.000 0.429 0.000 0.814 377 A HN 0.211 nan 8.150 nan 0.000 0.446 378 V N -0.569 119.481 119.914 0.228 0.000 2.307 378 V HA -0.213 3.931 4.120 0.040 0.000 0.245 378 V C 2.557 178.816 176.094 0.274 0.000 1.045 378 V CA 1.899 64.314 62.300 0.192 0.000 1.024 378 V CB -0.775 31.139 31.823 0.152 0.000 0.651 378 V HN 0.374 nan 8.190 nan 0.000 0.449 379 V N -0.073 119.966 119.914 0.209 0.000 2.343 379 V HA -0.257 3.887 4.120 0.040 0.000 0.247 379 V C 2.293 178.602 176.094 0.358 0.000 1.051 379 V CA 1.947 64.425 62.300 0.298 0.000 1.036 379 V CB -0.544 31.390 31.823 0.186 0.000 0.654 379 V HN 0.444 nan 8.190 nan 0.000 0.451 380 L N -0.685 120.733 121.223 0.326 0.000 2.056 380 L HA -0.180 4.184 4.340 0.040 0.000 0.207 380 L C 2.562 179.636 176.870 0.341 0.000 1.078 380 L CA 2.031 57.143 54.840 0.453 0.000 0.749 380 L CB -0.793 41.465 42.059 0.331 0.000 0.901 380 L HN 0.443 nan 8.230 nan 0.000 0.433 381 H N -0.945 118.132 119.070 0.013 0.000 2.389 381 H HA -0.189 4.393 4.556 0.043 0.000 0.299 381 H C 1.793 176.984 175.328 -0.228 0.000 1.081 381 H CA 1.822 57.716 56.048 -0.257 0.000 1.345 381 H CB 0.102 29.356 29.762 -0.846 0.000 1.393 381 H HN 0.257 nan 8.280 nan 0.000 0.520 382 Y N -0.161 120.193 120.300 0.089 0.000 2.478 382 Y HA 0.134 4.708 4.550 0.039 0.000 0.261 382 Y C 0.806 176.641 175.900 -0.109 0.000 1.127 382 Y CA 0.239 58.396 58.100 0.096 0.000 1.288 382 Y CB 0.409 39.067 38.460 0.330 0.000 1.084 382 Y HN 0.037 nan 8.280 nan 0.000 0.530 383 T N 1.329 115.814 114.554 -0.115 0.000 2.940 383 T HA -0.066 4.308 4.350 0.040 0.000 0.309 383 T C -0.238 174.048 174.700 -0.691 0.000 1.056 383 T CA -0.103 61.643 62.100 -0.590 0.000 1.137 383 T CB 0.311 68.483 68.868 -1.159 0.000 0.976 383 T HN 0.059 nan 8.240 nan 0.000 0.547 384 D N 1.777 121.823 120.400 -0.591 0.000 2.441 384 D HA 0.129 4.793 4.640 0.040 0.000 0.221 384 D C 0.146 176.164 176.300 -0.470 0.000 1.156 384 D CA -0.783 52.951 54.000 -0.444 0.000 0.896 384 D CB 0.181 40.736 40.800 -0.407 0.000 1.028 384 D HN 0.601 nan 8.370 nan 0.000 0.509 385 W N 2.865 124.078 121.300 -0.145 0.000 2.538 385 W HA 0.005 4.686 4.660 0.035 0.000 0.254 385 W C 2.005 178.407 176.519 -0.196 0.000 1.249 385 W CA -0.160 57.102 57.345 -0.137 0.000 1.253 385 W CB -0.045 29.348 29.460 -0.112 0.000 1.130 385 W HN 0.424 nan 8.180 nan 0.000 0.618 386 L N -0.952 120.181 121.223 -0.150 0.000 2.313 386 L HA -0.091 4.273 4.340 0.040 0.000 0.214 386 L C 0.121 176.525 176.870 -0.777 0.000 1.119 386 L CA 1.117 55.693 54.840 -0.440 0.000 0.809 386 L CB -0.187 41.546 42.059 -0.543 0.000 0.933 386 L HN 0.066 nan 8.230 nan 0.000 0.449 387 H N -2.513 116.444 119.070 -0.188 0.000 2.823 387 H HA 0.138 4.701 4.556 0.012 0.000 0.222 387 H C -1.918 173.261 175.328 -0.248 0.000 1.414 387 H CA -1.050 54.877 56.048 -0.202 0.000 1.289 387 H CB 0.099 29.695 29.762 -0.276 0.000 1.970 387 H HN -0.055 nan 8.280 nan 0.000 0.517 388 P HA -0.140 nan 4.420 nan 0.000 0.228 388 P C 0.348 177.540 177.300 -0.180 0.000 1.151 388 P CA 1.204 64.133 63.100 -0.284 0.000 0.770 388 P CB 0.603 32.196 31.700 -0.178 0.000 0.786 389 E N -0.842 119.311 120.200 -0.079 0.000 2.676 389 E HA 0.053 4.427 4.350 0.040 0.000 0.222 389 E C -0.207 176.378 176.600 -0.025 0.000 0.968 389 E CA -0.226 56.146 56.400 -0.046 0.000 1.090 389 E CB 0.242 29.934 29.700 -0.013 0.000 1.066 389 E HN 0.136 nan 8.360 nan 0.000 0.496 390 D N 3.003 123.405 120.400 0.002 0.000 2.339 390 D HA 0.019 4.683 4.640 0.040 0.000 0.256 390 D C -1.188 175.109 176.300 -0.005 0.000 1.214 390 D CA -2.028 51.991 54.000 0.031 0.000 0.877 390 D CB 1.262 42.137 40.800 0.125 0.000 1.111 390 D HN -0.127 nan 8.370 nan 0.000 0.478 391 P HA -0.139 nan 4.420 nan 0.000 0.220 391 P C 1.149 178.382 177.300 -0.112 0.000 1.148 391 P CA 0.897 63.943 63.100 -0.091 0.000 0.803 391 P CB 0.229 31.867 31.700 -0.104 0.000 0.782 392 T N -0.847 113.639 114.554 -0.113 0.000 2.777 392 T HA -0.137 4.237 4.350 0.040 0.000 0.266 392 T C 1.662 176.261 174.700 -0.169 0.000 1.040 392 T CA 1.515 63.520 62.100 -0.158 0.000 1.141 392 T CB -0.880 67.866 68.868 -0.203 0.000 0.868 392 T HN 0.307 nan 8.240 nan 0.000 0.444 393 H N 0.486 119.491 119.070 -0.108 0.000 2.357 393 H HA 0.112 4.686 4.556 0.030 0.000 0.301 393 H C 2.169 177.395 175.328 -0.170 0.000 1.082 393 H CA 1.127 57.105 56.048 -0.116 0.000 1.342 393 H CB -0.268 29.415 29.762 -0.132 0.000 1.389 393 H HN 0.184 nan 8.280 nan 0.000 0.511 394 L N 0.121 121.280 121.223 -0.106 0.000 2.042 394 L HA -0.201 4.163 4.340 0.040 0.000 0.210 394 L C 2.768 179.581 176.870 -0.095 0.000 1.076 394 L CA 1.216 55.881 54.840 -0.291 0.000 0.749 394 L CB -0.341 41.579 42.059 -0.231 0.000 0.893 394 L HN 0.263 nan 8.230 nan 0.000 0.432 395 R N 0.490 120.982 120.500 -0.013 0.000 2.070 395 R HA -0.183 4.181 4.340 0.040 0.000 0.233 395 R C 1.793 178.219 176.300 0.209 0.000 1.137 395 R CA 2.146 58.322 56.100 0.127 0.000 0.945 395 R CB -0.473 29.782 30.300 -0.075 0.000 0.845 395 R HN 0.325 nan 8.270 nan 0.000 0.430 396 D N 0.560 121.032 120.400 0.120 0.000 2.123 396 D HA -0.151 4.513 4.640 0.040 0.000 0.196 396 D C 1.768 178.173 176.300 0.175 0.000 0.992 396 D CA 1.624 55.721 54.000 0.160 0.000 0.833 396 D CB -0.309 40.549 40.800 0.097 0.000 0.954 396 D HN 0.399 nan 8.370 nan 0.000 0.455 397 A N 0.736 123.627 122.820 0.118 0.000 1.902 397 A HA -0.196 4.148 4.320 0.040 0.000 0.217 397 A C 2.172 179.898 177.584 0.236 0.000 1.181 397 A CA 1.895 54.025 52.037 0.156 0.000 0.623 397 A CB -0.563 18.377 19.000 -0.099 0.000 0.818 397 A HN 0.179 nan 8.150 nan 0.000 0.443 398 M N 0.049 119.847 119.600 0.330 0.000 2.108 398 M HA -0.115 4.389 4.480 0.040 0.000 0.261 398 M C 2.286 178.666 176.300 0.135 0.000 1.066 398 M CA 2.216 57.730 55.300 0.357 0.000 1.107 398 M CB -0.550 32.318 32.600 0.447 0.000 1.356 398 M HN 0.426 nan 8.290 nan 0.000 0.406 399 S N -0.334 115.455 115.700 0.149 0.000 2.356 399 S HA -0.087 4.407 4.470 0.040 0.000 0.223 399 S C 2.075 176.744 174.600 0.115 0.000 1.032 399 S CA 1.549 59.828 58.200 0.132 0.000 1.005 399 S CB -0.653 62.680 63.200 0.221 0.000 0.867 399 S HN 0.637 nan 8.310 nan 0.000 0.449 400 A N 0.987 123.897 122.820 0.150 0.000 1.908 400 A HA -0.013 4.331 4.320 0.040 0.000 0.218 400 A C 2.375 179.993 177.584 0.056 0.000 1.181 400 A CA 1.836 53.984 52.037 0.185 0.000 0.627 400 A CB -1.218 18.002 19.000 0.365 0.000 0.818 400 A HN 0.467 nan 8.150 nan 0.000 0.445 401 V N -0.370 119.423 119.914 -0.201 0.000 2.252 401 V HA -0.286 3.858 4.120 0.040 0.000 0.249 401 V C 2.591 178.603 176.094 -0.138 0.000 1.056 401 V CA 2.257 64.378 62.300 -0.298 0.000 1.022 401 V CB -0.842 30.820 31.823 -0.269 0.000 0.641 401 V HN 0.394 nan 8.190 nan 0.000 0.445 402 V N 0.582 120.441 119.914 -0.091 0.000 2.307 402 V HA -0.165 3.979 4.120 0.040 0.000 0.245 402 V C 2.622 178.597 176.094 -0.199 0.000 1.045 402 V CA 2.207 64.434 62.300 -0.121 0.000 1.024 402 V CB -1.385 30.409 31.823 -0.049 0.000 0.651 402 V HN 0.621 nan 8.190 nan 0.000 0.449 403 G N -0.453 108.295 108.800 -0.087 0.000 2.418 403 G HA2 -0.237 3.747 3.960 0.040 0.000 0.217 403 G HA3 -0.237 3.747 3.960 0.040 0.000 0.217 403 G C 1.230 176.036 174.900 -0.157 0.000 1.158 403 G CA 1.069 46.122 45.100 -0.078 0.000 0.771 403 G HN 0.508 nan 8.290 nan 0.000 0.545 404 D N -0.437 119.879 120.400 -0.141 0.000 2.103 404 D HA -0.047 4.617 4.640 0.040 0.000 0.199 404 D C 2.108 178.057 176.300 -0.585 0.000 0.978 404 D CA 1.052 54.932 54.000 -0.200 0.000 0.829 404 D CB -0.474 40.378 40.800 0.087 0.000 0.981 404 D HN 0.381 nan 8.370 nan 0.000 0.464 405 H N 0.765 119.223 119.070 -1.019 0.000 2.421 405 H HA 0.019 4.599 4.556 0.040 0.000 0.298 405 H C 1.331 176.240 175.328 -0.698 0.000 1.087 405 H CA 1.602 56.867 56.048 -1.306 0.000 1.330 405 H CB 0.146 29.130 29.762 -1.297 0.000 1.388 405 H HN 0.006 nan 8.280 nan 0.000 0.526 406 N N -1.129 117.126 118.700 -0.742 0.000 2.407 406 N HA 0.046 4.810 4.740 0.040 0.000 0.182 406 N C 1.084 176.322 175.510 -0.453 0.000 1.079 406 N CA 0.951 53.505 53.050 -0.826 0.000 0.882 406 N CB 1.315 38.858 38.487 -1.573 0.000 1.106 406 N HN 0.255 nan 8.380 nan 0.000 0.461 407 V N -0.290 119.422 119.914 -0.337 0.000 3.449 407 V HA 0.070 4.214 4.120 0.040 0.000 0.208 407 V C 2.172 178.205 176.094 -0.102 0.000 1.269 407 V CA 0.180 62.408 62.300 -0.120 0.000 1.301 407 V CB -0.193 31.612 31.823 -0.030 0.000 1.306 407 V HN -0.193 nan 8.190 nan 0.000 0.531 408 V N 0.219 120.076 119.914 -0.095 0.000 2.287 408 V HA -0.319 3.825 4.120 0.040 0.000 0.248 408 V C 2.517 178.563 176.094 -0.081 0.000 1.053 408 V CA 2.671 64.931 62.300 -0.068 0.000 1.027 408 V CB -0.855 30.957 31.823 -0.019 0.000 0.646 408 V HN 0.680 nan 8.190 nan 0.000 0.447 409 c N -0.445 118.097 118.600 -0.097 0.000 2.466 409 c HA 0.006 4.600 4.570 0.040 0.000 0.278 409 c C 0.600 174.648 174.090 -0.069 0.000 1.288 409 c CA 0.916 57.219 56.329 -0.044 0.000 1.722 409 c CB -1.854 40.658 42.510 0.002 0.000 2.017 409 c HN 0.454 nan 8.230 nan 0.000 0.488 410 P HA -0.086 nan 4.420 nan 0.000 0.216 410 P C 1.743 178.972 177.300 -0.117 0.000 1.150 410 P CA 1.441 64.460 63.100 -0.135 0.000 0.843 410 P CB -0.164 31.424 31.700 -0.186 0.000 0.787 411 V N -0.072 119.772 119.914 -0.116 0.000 2.307 411 V HA -0.216 3.928 4.120 0.040 0.000 0.245 411 V C 2.464 178.455 176.094 -0.171 0.000 1.045 411 V CA 2.155 64.372 62.300 -0.138 0.000 1.024 411 V CB -1.660 30.080 31.823 -0.138 0.000 0.651 411 V HN 0.089 nan 8.190 nan 0.000 0.449 412 A N -0.164 122.571 122.820 -0.141 0.000 1.908 412 A HA -0.337 4.007 4.320 0.040 0.000 0.218 412 A C 2.197 179.740 177.584 -0.068 0.000 1.181 412 A CA 2.368 54.329 52.037 -0.127 0.000 0.627 412 A CB -0.606 18.372 19.000 -0.036 0.000 0.818 412 A HN 0.615 nan 8.150 nan 0.000 0.445 413 Q N -0.590 119.186 119.800 -0.040 0.000 2.045 413 Q HA -0.200 4.164 4.340 0.040 0.000 0.206 413 Q C 1.884 177.860 176.000 -0.041 0.000 0.991 413 Q CA 2.145 57.937 55.803 -0.018 0.000 0.851 413 Q CB -0.513 28.209 28.738 -0.025 0.000 0.911 413 Q HN 0.494 nan 8.270 nan 0.000 0.418 414 L N 0.286 121.457 121.223 -0.087 0.000 2.046 414 L HA -0.054 4.310 4.340 0.040 0.000 0.208 414 L C 2.233 179.030 176.870 -0.122 0.000 1.077 414 L CA 2.260 57.033 54.840 -0.111 0.000 0.747 414 L CB -1.115 40.862 42.059 -0.137 0.000 0.896 414 L HN 0.351 nan 8.230 nan 0.000 0.432 415 A N -0.490 122.230 122.820 -0.168 0.000 1.883 415 A HA -0.126 4.218 4.320 0.040 0.000 0.217 415 A C 2.368 179.968 177.584 0.027 0.000 1.186 415 A CA 1.770 53.675 52.037 -0.219 0.000 0.624 415 A CB -1.684 16.934 19.000 -0.637 0.000 0.822 415 A HN 0.531 nan 8.150 nan 0.000 0.444 416 G N -0.589 108.288 108.800 0.129 0.000 2.446 416 G HA2 -0.249 3.735 3.960 0.040 0.000 0.217 416 G HA3 -0.249 3.735 3.960 0.040 0.000 0.217 416 G C 1.654 176.624 174.900 0.117 0.000 1.168 416 G CA 0.940 46.175 45.100 0.224 0.000 0.771 416 G HN 0.416 nan 8.290 nan 0.000 0.551 417 R N 0.229 120.763 120.500 0.057 0.000 2.092 417 R HA 0.097 4.461 4.340 0.040 0.000 0.231 417 R C 2.653 178.989 176.300 0.060 0.000 1.119 417 R CA 0.584 56.720 56.100 0.059 0.000 0.970 417 R CB -1.100 29.224 30.300 0.041 0.000 0.864 417 R HN 0.427 nan 8.270 nan 0.000 0.440 418 L N 0.144 121.342 121.223 -0.041 0.000 2.072 418 L HA -0.039 4.325 4.340 0.040 0.000 0.205 418 L C 2.623 179.523 176.870 0.050 0.000 1.079 418 L CA 1.219 55.999 54.840 -0.100 0.000 0.752 418 L CB -0.666 41.241 42.059 -0.253 0.000 0.906 418 L HN 0.113 nan 8.230 nan 0.000 0.436 419 A N 0.357 123.222 122.820 0.074 0.000 1.858 419 A HA -0.177 4.167 4.320 0.040 0.000 0.216 419 A C 2.577 180.210 177.584 0.081 0.000 1.190 419 A CA 1.754 53.846 52.037 0.090 0.000 0.617 419 A CB -0.914 18.171 19.000 0.142 0.000 0.827 419 A HN 0.362 nan 8.150 nan 0.000 0.443 420 A N -0.886 121.987 122.820 0.087 0.000 1.927 420 A HA -0.240 4.104 4.320 0.040 0.000 0.220 420 A C 1.846 179.485 177.584 0.092 0.000 1.185 420 A CA 1.901 53.984 52.037 0.077 0.000 0.639 420 A CB -0.486 18.561 19.000 0.078 0.000 0.820 420 A HN 0.650 nan 8.150 nan 0.000 0.451 421 Q N -1.843 118.043 119.800 0.144 0.000 2.237 421 Q HA 0.410 4.774 4.340 0.040 0.000 0.252 421 Q C 0.871 176.980 176.000 0.181 0.000 0.877 421 Q CA 0.371 56.277 55.803 0.172 0.000 1.011 421 Q CB 0.312 29.207 28.738 0.261 0.000 1.118 421 Q HN 0.832 nan 8.270 nan 0.000 0.458 422 G N -0.245 108.632 108.800 0.127 0.000 2.254 422 G HA2 -0.280 3.704 3.960 0.040 0.000 0.225 422 G HA3 -0.280 3.704 3.960 0.040 0.000 0.225 422 G C 0.373 175.338 174.900 0.110 0.000 1.003 422 G CA -0.274 44.886 45.100 0.101 0.000 0.622 422 G HN 0.569 nan 8.290 nan 0.000 0.507 423 A N 0.410 123.318 122.820 0.146 0.000 2.445 423 A HA 0.644 4.988 4.320 0.040 0.000 0.242 423 A C 0.713 178.330 177.584 0.055 0.000 1.075 423 A CA 0.781 52.885 52.037 0.112 0.000 0.777 423 A CB 0.240 19.288 19.000 0.081 0.000 1.013 423 A HN 0.871 nan 8.150 nan 0.000 0.493 424 R N 1.825 122.355 120.500 0.051 0.000 2.202 424 R HA 0.493 4.856 4.340 0.040 0.000 0.334 424 R C -1.486 174.799 176.300 -0.025 0.000 1.036 424 R CA -0.175 55.923 56.100 -0.004 0.000 0.878 424 R CB 0.372 30.700 30.300 0.046 0.000 1.067 424 R HN 0.460 nan 8.270 nan 0.000 0.457 425 V N 5.767 125.593 119.914 -0.147 0.000 2.540 425 V HA 0.417 4.561 4.120 0.040 0.000 0.302 425 V C -1.089 174.818 176.094 -0.312 0.000 1.035 425 V CA -0.793 61.440 62.300 -0.112 0.000 0.873 425 V CB 1.514 33.340 31.823 0.006 0.000 0.992 425 V HN 0.659 nan 8.190 nan 0.000 0.428 426 Y N 2.026 122.260 120.300 -0.109 0.000 2.409 426 Y HA 0.810 5.384 4.550 0.039 0.000 0.343 426 Y C 0.292 176.187 175.900 -0.008 0.000 0.973 426 Y CA -0.568 57.419 58.100 -0.189 0.000 1.064 426 Y CB 2.310 40.307 38.460 -0.772 0.000 1.207 426 Y HN 0.780 nan 8.280 nan 0.000 0.452 427 A N 2.947 126.094 122.820 0.545 0.000 2.435 427 A HA 0.863 5.207 4.320 0.040 0.000 0.304 427 A C -1.910 176.102 177.584 0.714 0.000 1.064 427 A CA -0.692 51.581 52.037 0.394 0.000 0.727 427 A CB 1.144 20.235 19.000 0.151 0.000 1.284 427 A HN 0.752 nan 8.150 nan 0.000 0.415 428 Y N -0.483 120.088 120.300 0.450 0.000 2.655 428 Y HA 0.816 5.389 4.550 0.039 0.000 0.336 428 Y C -1.179 174.893 175.900 0.287 0.000 1.154 428 Y CA -1.661 56.655 58.100 0.359 0.000 1.055 428 Y CB 1.284 39.963 38.460 0.366 0.000 1.295 428 Y HN 0.774 nan 8.280 nan 0.000 0.465 429 I N 2.371 123.281 120.570 0.567 0.000 2.582 429 I HA 0.510 4.704 4.170 0.040 0.000 0.292 429 I C -1.993 174.480 176.117 0.594 0.000 1.066 429 I CA -1.075 60.522 61.300 0.495 0.000 1.053 429 I CB 1.577 39.758 38.000 0.302 0.000 1.241 429 I HN 0.748 nan 8.210 nan 0.000 0.421 430 F N 7.039 127.270 119.950 0.469 0.000 2.391 430 F HA 0.411 4.962 4.527 0.041 0.000 0.359 430 F C 0.609 176.561 175.800 0.254 0.000 1.122 430 F CA 0.061 58.268 58.000 0.345 0.000 1.120 430 F CB 0.956 40.165 39.000 0.348 0.000 1.142 430 F HN 0.555 nan 8.300 nan 0.000 0.483 431 E N 2.891 123.009 120.200 -0.137 0.000 2.583 431 E HA -0.023 4.351 4.350 0.040 0.000 0.213 431 E C -0.738 175.764 176.600 -0.165 0.000 0.989 431 E CA -0.140 56.228 56.400 -0.052 0.000 0.991 431 E CB 0.315 30.008 29.700 -0.012 0.000 1.040 431 E HN 0.509 nan 8.360 nan 0.000 0.481 432 H N 1.567 120.299 119.070 -0.563 0.000 2.594 432 H HA 0.212 4.792 4.556 0.040 0.000 0.304 432 H C -0.352 174.917 175.328 -0.100 0.000 1.068 432 H CA -0.508 55.261 56.048 -0.464 0.000 1.308 432 H CB 0.434 29.683 29.762 -0.856 0.000 1.409 432 H HN -0.145 nan 8.280 nan 0.000 0.460 433 R N 4.167 124.355 120.500 -0.521 0.000 2.298 433 R HA 0.451 4.815 4.340 0.040 0.000 0.310 433 R C -0.543 175.524 176.300 -0.389 0.000 1.068 433 R CA -0.475 55.469 56.100 -0.260 0.000 0.957 433 R CB 0.340 30.563 30.300 -0.128 0.000 1.003 433 R HN 0.784 nan 8.270 nan 0.000 0.454 434 A N 3.094 125.989 122.820 0.125 0.000 2.511 434 A HA 0.045 4.389 4.320 0.040 0.000 0.242 434 A C 1.320 179.040 177.584 0.226 0.000 1.069 434 A CA 0.342 52.645 52.037 0.443 0.000 0.763 434 A CB 0.429 19.845 19.000 0.693 0.000 1.001 434 A HN 1.024 nan 8.150 nan 0.000 0.498 435 S N 1.311 117.182 115.700 0.285 0.000 2.419 435 S HA -0.162 4.332 4.470 0.040 0.000 0.233 435 S C 1.382 176.014 174.600 0.053 0.000 1.016 435 S CA 1.665 59.952 58.200 0.144 0.000 0.974 435 S CB -0.854 62.449 63.200 0.171 0.000 0.786 435 S HN 1.291 nan 8.310 nan 0.000 0.492 436 T N -0.683 113.885 114.554 0.022 0.000 3.219 436 T HA 0.355 4.729 4.350 0.040 0.000 0.249 436 T C 0.285 174.954 174.700 -0.051 0.000 1.099 436 T CA -0.535 61.501 62.100 -0.106 0.000 0.988 436 T CB -0.593 68.069 68.868 -0.344 0.000 0.999 436 T HN 0.264 nan 8.240 nan 0.000 0.550 437 L N 3.685 124.919 121.223 0.019 0.000 2.455 437 L HA 0.286 4.650 4.340 0.040 0.000 0.272 437 L C 1.617 178.463 176.870 -0.041 0.000 1.174 437 L CA 0.582 55.426 54.840 0.007 0.000 0.869 437 L CB 0.897 42.970 42.059 0.024 0.000 1.130 437 L HN 0.412 nan 8.230 nan 0.000 0.474 438 T N -0.106 114.382 114.554 -0.109 0.000 3.081 438 T HA 0.094 4.468 4.350 0.040 0.000 0.250 438 T C 0.298 174.969 174.700 -0.048 0.000 1.100 438 T CA -0.380 61.643 62.100 -0.128 0.000 1.038 438 T CB -0.311 68.381 68.868 -0.293 0.000 0.962 438 T HN 0.435 nan 8.240 nan 0.000 0.516 439 W N 2.556 123.856 121.300 -0.000 0.000 2.283 439 W HA 0.505 5.188 4.660 0.039 0.000 0.341 439 W C -2.288 174.127 176.519 -0.173 0.000 1.206 439 W CA -2.582 54.724 57.345 -0.066 0.000 1.294 439 W CB 0.059 29.407 29.460 -0.188 0.000 1.154 439 W HN -0.068 nan 8.180 nan 0.000 0.613 440 P HA -0.035 nan 4.420 nan 0.000 0.268 440 P C 0.773 177.998 177.300 -0.125 0.000 1.208 440 P CA 0.098 63.152 63.100 -0.076 0.000 0.777 440 P CB 0.639 32.266 31.700 -0.121 0.000 0.875 441 L N 0.896 122.116 121.223 -0.005 0.000 2.127 441 L HA -0.157 4.207 4.340 0.040 0.000 0.211 441 L C 2.350 179.250 176.870 0.050 0.000 1.089 441 L CA 1.438 56.292 54.840 0.025 0.000 0.757 441 L CB -0.803 41.297 42.059 0.069 0.000 0.899 441 L HN 0.644 nan 8.230 nan 0.000 0.434 442 W N -0.412 120.926 121.300 0.064 0.000 2.468 442 W HA -0.139 4.544 4.660 0.039 0.000 0.262 442 W C 1.613 178.183 176.519 0.085 0.000 1.241 442 W CA 0.468 57.854 57.345 0.068 0.000 1.232 442 W CB -0.772 28.731 29.460 0.073 0.000 1.124 442 W HN 0.215 nan 8.180 nan 0.000 0.597 443 M N 1.153 120.501 119.600 -0.420 0.000 2.556 443 M HA 0.177 4.681 4.480 0.040 0.000 0.245 443 M C 1.857 178.097 176.300 -0.100 0.000 1.128 443 M CA 1.118 56.171 55.300 -0.412 0.000 1.069 443 M CB -0.540 31.631 32.600 -0.715 0.000 1.469 443 M HN 0.128 nan 8.290 nan 0.000 0.494 444 G N 1.176 109.957 108.800 -0.032 0.000 2.629 444 G HA2 -0.299 3.685 3.960 0.040 0.000 0.313 444 G HA3 -0.299 3.685 3.960 0.040 0.000 0.313 444 G C -0.022 174.896 174.900 0.030 0.000 1.217 444 G CA 0.083 45.199 45.100 0.026 0.000 0.994 444 G HN 0.275 nan 8.290 nan 0.000 0.549 445 V N 3.652 123.625 119.914 0.099 0.000 2.288 445 V HA 0.485 4.629 4.120 0.040 0.000 0.266 445 V C -1.819 174.412 176.094 0.228 0.000 1.048 445 V CA -0.814 61.598 62.300 0.186 0.000 0.842 445 V CB 1.109 33.089 31.823 0.262 0.000 1.064 445 V HN 0.541 nan 8.190 nan 0.000 0.472 446 P HA 0.246 nan 4.420 nan 0.000 0.281 446 P C -0.322 177.216 177.300 0.397 0.000 1.264 446 P CA -0.771 62.477 63.100 0.248 0.000 0.824 446 P CB 0.415 32.174 31.700 0.098 0.000 1.092 447 H N 0.575 119.757 119.070 0.187 0.000 3.243 447 H HA 0.193 4.773 4.556 0.040 0.000 0.267 447 H C 1.482 176.744 175.328 -0.110 0.000 0.875 447 H CA 2.442 58.523 56.048 0.056 0.000 1.413 447 H CB -1.037 28.732 29.762 0.011 0.000 1.459 447 H HN 0.742 nan 8.280 nan 0.000 0.536 448 G N 3.622 112.234 108.800 -0.314 0.000 2.316 448 G HA2 -0.262 3.722 3.960 0.040 0.000 0.203 448 G HA3 -0.262 3.722 3.960 0.040 0.000 0.203 448 G C 0.490 175.269 174.900 -0.201 0.000 0.999 448 G CA 0.110 44.928 45.100 -0.470 0.000 0.649 448 G HN 0.573 nan 8.290 nan 0.000 0.489 449 Y N 2.099 122.510 120.300 0.185 0.000 2.495 449 Y HA 0.279 4.853 4.550 0.041 0.000 0.293 449 Y C 2.232 178.279 175.900 0.245 0.000 1.186 449 Y CA 0.827 59.105 58.100 0.297 0.000 1.266 449 Y CB 0.439 39.120 38.460 0.367 0.000 1.101 449 Y HN 0.485 nan 8.280 nan 0.000 0.517 450 E N -0.166 120.022 120.200 -0.020 0.000 2.364 450 E HA -0.030 4.344 4.350 0.040 0.000 0.196 450 E C 1.586 178.061 176.600 -0.208 0.000 0.990 450 E CA 0.520 56.572 56.400 -0.579 0.000 0.886 450 E CB -0.359 28.571 29.700 -1.284 0.000 0.866 450 E HN 0.529 nan 8.360 nan 0.000 0.493 451 I N 2.960 123.504 120.570 -0.043 0.000 2.163 451 I HA -0.321 3.873 4.170 0.040 0.000 0.243 451 I C 2.733 178.861 176.117 0.018 0.000 1.085 451 I CA 2.195 63.513 61.300 0.030 0.000 1.347 451 I CB -0.520 37.593 38.000 0.189 0.000 1.044 451 I HN 0.208 nan 8.210 nan 0.000 0.408 452 E N 1.133 121.303 120.200 -0.051 0.000 2.171 452 E HA -0.255 4.119 4.350 0.040 0.000 0.197 452 E C 2.077 178.447 176.600 -0.382 0.000 0.997 452 E CA 1.639 57.902 56.400 -0.228 0.000 0.810 452 E CB -0.615 28.919 29.700 -0.278 0.000 0.738 452 E HN 0.457 nan 8.360 nan 0.000 0.467 453 F N 1.274 121.112 119.950 -0.187 0.000 2.187 453 F HA -0.023 4.529 4.527 0.041 0.000 0.295 453 F C 2.382 177.944 175.800 -0.397 0.000 1.091 453 F CA 0.559 58.394 58.000 -0.275 0.000 1.308 453 F CB -0.110 38.822 39.000 -0.114 0.000 1.030 453 F HN -0.027 nan 8.300 nan 0.000 0.487 454 I N -0.966 119.424 120.570 -0.300 0.000 2.286 454 I HA -0.269 3.925 4.170 0.040 0.000 0.248 454 I C 2.095 177.920 176.117 -0.487 0.000 1.115 454 I CA 1.663 62.610 61.300 -0.588 0.000 1.392 454 I CB -1.374 36.118 38.000 -0.846 0.000 1.065 454 I HN 0.106 nan 8.210 nan 0.000 0.418 455 F N 0.978 120.733 119.950 -0.324 0.000 2.661 455 F HA 0.165 4.715 4.527 0.040 0.000 0.298 455 F C 1.885 177.530 175.800 -0.258 0.000 1.137 455 F CA 0.928 58.780 58.000 -0.247 0.000 1.454 455 F CB -0.123 38.720 39.000 -0.261 0.000 1.103 455 F HN 0.292 nan 8.300 nan 0.000 0.577 456 G N -0.064 108.576 108.800 -0.268 0.000 2.132 456 G HA2 -0.272 3.712 3.960 0.040 0.000 0.228 456 G HA3 -0.272 3.712 3.960 0.040 0.000 0.228 456 G C 0.861 175.199 174.900 -0.937 0.000 1.000 456 G CA 0.212 45.040 45.100 -0.454 0.000 0.693 456 G HN 0.247 nan 8.290 nan 0.000 0.515 457 L N 0.358 121.053 121.223 -0.881 0.000 2.127 457 L HA 0.039 4.403 4.340 0.040 0.000 0.211 457 L C 0.226 176.679 176.870 -0.695 0.000 1.089 457 L CA 2.594 56.884 54.840 -0.917 0.000 0.757 457 L CB -0.933 40.853 42.059 -0.454 0.000 0.899 457 L HN 0.202 nan 8.230 nan 0.000 0.434 458 P HA -0.096 nan 4.420 nan 0.000 0.234 458 P C 1.513 178.667 177.300 -0.243 0.000 1.167 458 P CA 0.703 63.423 63.100 -0.634 0.000 0.763 458 P CB 0.094 31.276 31.700 -0.864 0.000 0.835 459 L N -1.117 119.894 121.223 -0.353 0.000 2.478 459 L HA 0.006 4.370 4.340 0.040 0.000 0.223 459 L C 0.839 177.688 176.870 -0.036 0.000 1.140 459 L CA 1.095 55.833 54.840 -0.170 0.000 0.842 459 L CB -0.930 41.036 42.059 -0.155 0.000 0.953 459 L HN -0.077 nan 8.230 nan 0.000 0.452 460 D N -0.472 119.890 120.400 -0.063 0.000 2.339 460 D HA 0.118 4.782 4.640 0.040 0.000 0.241 460 D C -1.720 174.622 176.300 0.071 0.000 1.183 460 D CA -2.186 51.872 54.000 0.097 0.000 0.859 460 D CB 1.551 42.453 40.800 0.170 0.000 1.067 460 D HN -0.053 nan 8.370 nan 0.000 0.484 461 P HA -0.098 nan 4.420 nan 0.000 0.221 461 P C 1.155 178.473 177.300 0.029 0.000 1.150 461 P CA 0.783 63.912 63.100 0.048 0.000 0.800 461 P CB 0.085 31.808 31.700 0.038 0.000 0.787 462 S N -1.081 114.634 115.700 0.024 0.000 2.547 462 S HA -0.025 4.468 4.470 0.040 0.000 0.235 462 S C 1.669 176.251 174.600 -0.030 0.000 0.980 462 S CA 0.669 58.868 58.200 -0.002 0.000 0.941 462 S CB -1.399 61.802 63.200 0.001 0.000 0.763 462 S HN 0.112 nan 8.310 nan 0.000 0.532 463 L N 0.423 121.632 121.223 -0.023 0.000 2.446 463 L HA 0.170 4.534 4.340 0.040 0.000 0.219 463 L C 0.185 176.921 176.870 -0.223 0.000 1.116 463 L CA 0.022 54.798 54.840 -0.107 0.000 0.844 463 L CB -0.672 41.373 42.059 -0.023 0.000 0.970 463 L HN 0.233 nan 8.230 nan 0.000 0.457 464 N N -1.210 117.425 118.700 -0.108 0.000 2.816 464 N HA -0.207 4.557 4.740 0.040 0.000 0.247 464 N C -0.759 174.663 175.510 -0.146 0.000 1.100 464 N CA 0.679 53.664 53.050 -0.107 0.000 0.687 464 N CB -1.893 36.520 38.487 -0.123 0.000 1.003 464 N HN 0.249 nan 8.380 nan 0.000 0.554 465 Y N 0.714 121.007 120.300 -0.013 0.000 2.304 465 Y HA 0.225 4.798 4.550 0.039 0.000 0.327 465 Y C 1.945 177.873 175.900 0.046 0.000 1.209 465 Y CA -0.019 58.097 58.100 0.028 0.000 1.299 465 Y CB 0.570 39.036 38.460 0.011 0.000 1.249 465 Y HN 0.140 nan 8.280 nan 0.000 0.519 466 T N -2.265 112.436 114.554 0.244 0.000 2.734 466 T HA -0.069 4.305 4.350 0.040 0.000 0.314 466 T C 1.271 176.055 174.700 0.141 0.000 1.057 466 T CA 0.081 62.274 62.100 0.154 0.000 1.047 466 T CB 0.743 69.694 68.868 0.138 0.000 0.991 466 T HN 0.789 nan 8.240 nan 0.000 0.540 467 T N -0.001 114.606 114.554 0.089 0.000 2.951 467 T HA -0.011 4.363 4.350 0.040 0.000 0.268 467 T C 1.703 176.439 174.700 0.061 0.000 1.073 467 T CA 1.354 63.494 62.100 0.067 0.000 1.134 467 T CB -0.482 68.412 68.868 0.044 0.000 0.884 467 T HN 0.758 nan 8.240 nan 0.000 0.479 468 E N 1.059 121.293 120.200 0.055 0.000 2.072 468 E HA -0.069 4.305 4.350 0.040 0.000 0.191 468 E C 2.187 178.818 176.600 0.051 0.000 0.985 468 E CA 1.104 57.519 56.400 0.024 0.000 0.801 468 E CB -0.091 29.597 29.700 -0.020 0.000 0.750 468 E HN 0.582 nan 8.360 nan 0.000 0.452 469 E N 0.279 120.548 120.200 0.115 0.000 2.204 469 E HA -0.166 4.208 4.350 0.040 0.000 0.195 469 E C 2.056 178.782 176.600 0.210 0.000 0.990 469 E CA 0.437 56.984 56.400 0.244 0.000 0.821 469 E CB 0.042 30.007 29.700 0.441 0.000 0.750 469 E HN 0.038 nan 8.360 nan 0.000 0.477 470 R N 0.806 121.371 120.500 0.109 0.000 2.073 470 R HA -0.058 4.306 4.340 0.040 0.000 0.229 470 R C 2.139 178.457 176.300 0.029 0.000 1.120 470 R CA 0.870 56.988 56.100 0.031 0.000 0.967 470 R CB -0.190 30.126 30.300 0.028 0.000 0.862 470 R HN 0.208 nan 8.270 nan 0.000 0.436 471 I N 0.399 121.002 120.570 0.054 0.000 2.315 471 I HA -0.262 3.932 4.170 0.040 0.000 0.248 471 I C 2.201 178.364 176.117 0.076 0.000 1.117 471 I CA 0.784 62.110 61.300 0.043 0.000 1.404 471 I CB -0.348 37.675 38.000 0.038 0.000 1.071 471 I HN 0.073 nan 8.210 nan 0.000 0.419 472 F N 2.067 121.969 119.950 -0.079 0.000 2.046 472 F HA -0.286 4.266 4.527 0.041 0.000 0.297 472 F C 2.535 178.303 175.800 -0.054 0.000 1.123 472 F CA 1.456 59.392 58.000 -0.105 0.000 1.199 472 F CB -0.872 38.002 39.000 -0.210 0.000 0.972 472 F HN 0.041 nan 8.300 nan 0.000 0.474 473 A N -0.153 122.628 122.820 -0.066 0.000 1.958 473 A HA -0.305 4.039 4.320 0.040 0.000 0.221 473 A C 2.153 179.610 177.584 -0.211 0.000 1.178 473 A CA 2.171 54.103 52.037 -0.175 0.000 0.642 473 A CB -0.991 17.930 19.000 -0.132 0.000 0.816 473 A HN 0.671 nan 8.150 nan 0.000 0.453 474 Q N -1.210 118.507 119.800 -0.139 0.000 2.119 474 Q HA -0.114 4.250 4.340 0.040 0.000 0.201 474 Q C 2.396 178.287 176.000 -0.181 0.000 0.972 474 Q CA 1.266 56.993 55.803 -0.127 0.000 0.847 474 Q CB -0.110 28.585 28.738 -0.072 0.000 0.903 474 Q HN 0.651 nan 8.270 nan 0.000 0.433 475 R N 0.271 120.638 120.500 -0.222 0.000 2.070 475 R HA -0.110 4.254 4.340 0.040 0.000 0.233 475 R C 2.310 178.306 176.300 -0.508 0.000 1.137 475 R CA 1.206 57.079 56.100 -0.379 0.000 0.945 475 R CB -0.307 29.830 30.300 -0.273 0.000 0.845 475 R HN 0.222 nan 8.270 nan 0.000 0.430 476 L N 0.085 121.092 121.223 -0.359 0.000 2.012 476 L HA -0.218 4.146 4.340 0.040 0.000 0.210 476 L C 2.561 179.386 176.870 -0.075 0.000 1.073 476 L CA 1.461 56.196 54.840 -0.176 0.000 0.748 476 L CB -0.428 41.360 42.059 -0.451 0.000 0.891 476 L HN 0.256 nan 8.230 nan 0.000 0.431 477 M N -0.750 118.744 119.600 -0.177 0.000 2.202 477 M HA -0.195 4.309 4.480 0.040 0.000 0.262 477 M C 2.316 178.623 176.300 0.011 0.000 1.063 477 M CA 1.479 56.720 55.300 -0.097 0.000 1.097 477 M CB -0.286 32.243 32.600 -0.118 0.000 1.382 477 M HN 0.070 nan 8.290 nan 0.000 0.413 478 K N -0.230 120.134 120.400 -0.061 0.000 2.103 478 K HA -0.100 4.244 4.320 0.040 0.000 0.204 478 K C 1.792 178.443 176.600 0.086 0.000 1.052 478 K CA 1.506 57.767 56.287 -0.044 0.000 0.945 478 K CB -0.169 32.239 32.500 -0.153 0.000 0.722 478 K HN 0.306 nan 8.250 nan 0.000 0.443 479 Y N -0.378 120.056 120.300 0.223 0.000 2.133 479 Y HA -0.198 4.376 4.550 0.040 0.000 0.287 479 Y C 2.471 178.501 175.900 0.217 0.000 1.134 479 Y CA 0.801 59.059 58.100 0.264 0.000 1.133 479 Y CB -0.881 37.868 38.460 0.483 0.000 0.987 479 Y HN 0.165 nan 8.280 nan 0.000 0.502 480 W N 0.784 122.176 121.300 0.154 0.000 2.335 480 W HA -0.260 4.424 4.660 0.039 0.000 0.311 480 W C 2.471 179.005 176.519 0.026 0.000 1.213 480 W CA 2.466 59.837 57.345 0.043 0.000 1.274 480 W CB -0.756 28.662 29.460 -0.069 0.000 1.148 480 W HN 0.242 nan 8.180 nan 0.000 0.498 481 T N -2.236 112.440 114.554 0.204 0.000 2.904 481 T HA -0.126 4.248 4.350 0.040 0.000 0.267 481 T C 1.426 176.160 174.700 0.055 0.000 1.059 481 T CA 1.139 63.287 62.100 0.081 0.000 1.137 481 T CB -0.559 68.336 68.868 0.044 0.000 0.879 481 T HN -0.057 nan 8.240 nan 0.000 0.467 482 N N 1.065 119.815 118.700 0.084 0.000 2.084 482 N HA -0.003 4.761 4.740 0.040 0.000 0.190 482 N C 1.398 176.906 175.510 -0.003 0.000 1.030 482 N CA 1.043 54.119 53.050 0.044 0.000 0.849 482 N CB -0.724 37.811 38.487 0.079 0.000 1.012 482 N HN 0.461 nan 8.380 nan 0.000 0.423 483 F N 1.793 121.658 119.950 -0.142 0.000 2.126 483 F HA -0.167 4.385 4.527 0.041 0.000 0.299 483 F C 2.163 177.877 175.800 -0.142 0.000 1.096 483 F CA 1.485 59.347 58.000 -0.229 0.000 1.255 483 F CB -0.416 38.356 39.000 -0.380 0.000 0.997 483 F HN 0.046 nan 8.300 nan 0.000 0.479 484 A N 0.538 123.294 122.820 -0.107 0.000 1.902 484 A HA -0.188 4.156 4.320 0.040 0.000 0.217 484 A C 2.343 179.823 177.584 -0.174 0.000 1.181 484 A CA 1.779 53.724 52.037 -0.153 0.000 0.623 484 A CB -0.709 18.262 19.000 -0.047 0.000 0.818 484 A HN 0.471 nan 8.150 nan 0.000 0.443 485 R N -1.108 119.320 120.500 -0.121 0.000 2.075 485 R HA -0.072 4.292 4.340 0.040 0.000 0.232 485 R C 1.890 178.105 176.300 -0.142 0.000 1.126 485 R CA 1.850 57.890 56.100 -0.100 0.000 0.963 485 R CB -0.214 30.053 30.300 -0.054 0.000 0.858 485 R HN 0.731 nan 8.270 nan 0.000 0.435 486 T N -5.697 108.743 114.554 -0.190 0.000 3.016 486 T HA 0.253 4.627 4.350 0.040 0.000 0.271 486 T C 1.167 175.722 174.700 -0.242 0.000 0.968 486 T CA 0.314 62.311 62.100 -0.171 0.000 0.891 486 T CB 1.366 70.172 68.868 -0.103 0.000 1.149 486 T HN 0.319 nan 8.240 nan 0.000 0.524 487 G N 1.346 109.856 108.800 -0.484 0.000 2.148 487 G HA2 -0.180 3.804 3.960 0.040 0.000 0.254 487 G HA3 -0.180 3.804 3.960 0.040 0.000 0.254 487 G C -0.351 174.420 174.900 -0.216 0.000 0.981 487 G CA 0.245 44.969 45.100 -0.628 0.000 0.670 487 G HN 0.782 nan 8.290 nan 0.000 0.528 488 D N -0.610 119.676 120.400 -0.190 0.000 2.686 488 D HA 0.474 5.138 4.640 0.040 0.000 0.249 488 D C -1.704 174.434 176.300 -0.270 0.000 1.260 488 D CA -1.762 52.084 54.000 -0.256 0.000 0.910 488 D CB 1.971 42.721 40.800 -0.084 0.000 1.323 488 D HN -0.026 nan 8.370 nan 0.000 0.561 489 P HA -0.019 nan 4.420 nan 0.000 0.230 489 P C 0.041 177.375 177.300 0.056 0.000 1.158 489 P CA 0.339 63.283 63.100 -0.261 0.000 0.769 489 P CB 0.220 31.471 31.700 -0.749 0.000 0.807 490 N N 1.356 120.052 118.700 -0.007 0.000 2.497 490 N HA 0.003 4.767 4.740 0.040 0.000 0.271 490 N C 0.014 175.601 175.510 0.129 0.000 1.142 490 N CA 0.119 53.257 53.050 0.146 0.000 0.965 490 N CB 0.363 38.924 38.487 0.123 0.000 1.077 490 N HN 0.022 nan 8.380 nan 0.000 0.462 491 D N 2.890 123.387 120.400 0.162 0.000 2.402 491 D HA 0.004 4.668 4.640 0.040 0.000 0.268 491 D C -1.383 174.962 176.300 0.075 0.000 1.294 491 D CA -1.006 53.054 54.000 0.100 0.000 0.945 491 D CB 0.932 41.786 40.800 0.091 0.000 1.112 491 D HN 0.306 nan 8.370 nan 0.000 0.517 492 P HA -0.047 nan 4.420 nan 0.000 0.230 492 P C 0.124 177.447 177.300 0.038 0.000 1.158 492 P CA 0.748 63.872 63.100 0.040 0.000 0.769 492 P CB 0.312 32.027 31.700 0.024 0.000 0.807 493 R N 0.455 120.979 120.500 0.039 0.000 2.576 493 R HA 0.606 4.970 4.340 0.040 0.000 0.283 493 R C -1.303 175.021 176.300 0.040 0.000 1.493 493 R CA -0.527 55.594 56.100 0.035 0.000 1.170 493 R CB -0.852 29.464 30.300 0.027 0.000 1.189 493 R HN 0.143 nan 8.270 nan 0.000 0.542 494 D N 0.161 120.589 120.400 0.047 0.000 2.115 494 D HA 0.088 4.752 4.640 0.040 0.000 0.161 494 D C -0.987 175.349 176.300 0.060 0.000 1.181 494 D CA 0.061 54.092 54.000 0.052 0.000 0.868 494 D CB 1.465 42.300 40.800 0.060 0.000 2.440 494 D HN 0.418 nan 8.370 nan 0.000 0.502 495 S N 3.554 119.286 115.700 0.052 0.000 2.586 495 S HA 0.650 5.144 4.470 0.040 0.000 0.274 495 S C -0.331 174.305 174.600 0.059 0.000 1.281 495 S CA 0.024 58.256 58.200 0.054 0.000 1.035 495 S CB 0.637 63.863 63.200 0.043 0.000 0.962 495 S HN 0.680 nan 8.310 nan 0.000 0.512 496 K N 1.478 121.917 120.400 0.064 0.000 7.076 496 K HA -0.139 4.205 4.320 0.040 0.000 0.747 496 K C 0.258 176.904 176.600 0.078 0.000 2.505 496 K CA 0.951 57.276 56.287 0.063 0.000 1.814 496 K CB -1.159 31.370 32.500 0.048 0.000 2.142 496 K HN 0.804 nan 8.250 nan 0.000 0.274 497 S N 0.989 116.741 115.700 0.087 0.000 2.699 497 S HA 0.243 4.737 4.470 0.040 0.000 0.277 497 S C -1.887 172.759 174.600 0.075 0.000 1.062 497 S CA -0.079 58.181 58.200 0.101 0.000 1.116 497 S CB 0.050 63.347 63.200 0.160 0.000 0.977 497 S HN 0.532 nan 8.310 nan 0.000 0.498 498 P HA 0.313 nan 4.420 nan 0.000 0.307 498 P C -0.637 176.728 177.300 0.109 0.000 1.306 498 P CA -0.236 62.909 63.100 0.076 0.000 0.742 498 P CB 0.303 32.036 31.700 0.055 0.000 1.349 499 Q N -1.127 118.747 119.800 0.124 0.000 2.395 499 Q HA 0.008 4.372 4.340 0.040 0.000 0.271 499 Q C -0.293 175.850 176.000 0.238 0.000 1.026 499 Q CA 0.450 56.361 55.803 0.181 0.000 0.900 499 Q CB 0.044 28.881 28.738 0.165 0.000 1.266 499 Q HN 0.497 nan 8.270 nan 0.000 0.430 500 W N 5.616 126.965 121.300 0.081 0.000 2.481 500 W HA 0.258 4.943 4.660 0.042 0.000 0.320 500 W C -2.413 174.241 176.519 0.224 0.000 1.209 500 W CA -2.426 54.978 57.345 0.098 0.000 1.400 500 W CB 0.179 29.638 29.460 -0.002 0.000 1.361 500 W HN 0.398 nan 8.180 nan 0.000 0.456 501 P HA 0.306 nan 4.420 nan 0.000 0.282 501 P C -2.583 174.918 177.300 0.336 0.000 1.249 501 P CA -1.830 61.498 63.100 0.380 0.000 0.806 501 P CB 0.632 32.463 31.700 0.219 0.000 0.984 502 P HA 0.039 nan 4.420 nan 0.000 0.269 502 P C -0.780 176.495 177.300 -0.041 0.000 1.209 502 P CA 0.148 63.038 63.100 -0.351 0.000 0.776 502 P CB 0.079 31.559 31.700 -0.367 0.000 0.876 503 Y N 2.906 123.132 120.300 -0.123 0.000 2.335 503 Y HA 0.388 4.961 4.550 0.039 0.000 0.331 503 Y C 0.311 176.192 175.900 -0.031 0.000 1.094 503 Y CA 0.517 58.619 58.100 0.003 0.000 1.253 503 Y CB 0.410 38.898 38.460 0.048 0.000 1.203 503 Y HN 0.397 nan 8.280 nan 0.000 0.508 504 T N 0.294 114.531 114.554 -0.528 0.000 2.903 504 T HA 0.247 4.621 4.350 0.040 0.000 0.299 504 T C 0.796 175.203 174.700 -0.488 0.000 1.093 504 T CA -0.214 61.688 62.100 -0.330 0.000 1.002 504 T CB 1.280 70.040 68.868 -0.180 0.000 1.127 504 T HN 0.649 nan 8.240 nan 0.000 0.488 505 T N -0.051 114.381 114.554 -0.204 0.000 2.788 505 T HA 0.002 4.376 4.350 0.040 0.000 0.268 505 T C 2.200 176.830 174.700 -0.117 0.000 1.044 505 T CA 0.995 63.024 62.100 -0.119 0.000 1.139 505 T CB -0.800 68.066 68.868 -0.005 0.000 0.867 505 T HN 0.892 nan 8.240 nan 0.000 0.454 506 A N 2.353 125.110 122.820 -0.104 0.000 1.821 506 A HA 0.384 4.728 4.320 0.040 0.000 0.215 506 A C 2.816 180.348 177.584 -0.087 0.000 1.216 506 A CA 1.796 53.791 52.037 -0.071 0.000 0.615 506 A CB -1.503 17.467 19.000 -0.050 0.000 0.862 506 A HN 0.689 nan 8.150 nan 0.000 0.450 507 A N -2.130 120.623 122.820 -0.111 0.000 2.014 507 A HA 0.072 4.416 4.320 0.040 0.000 0.218 507 A C 1.113 178.627 177.584 -0.117 0.000 1.163 507 A CA 1.265 53.250 52.037 -0.087 0.000 0.652 507 A CB -0.524 18.438 19.000 -0.064 0.000 0.808 507 A HN 0.669 nan 8.150 nan 0.000 0.449 508 Q N -0.859 118.760 119.800 -0.302 0.000 2.457 508 Q HA -0.233 4.131 4.340 0.040 0.000 0.283 508 Q C -0.631 175.376 176.000 0.012 0.000 1.234 508 Q CA 0.745 56.298 55.803 -0.417 0.000 0.877 508 Q CB -1.829 26.869 28.738 -0.066 0.000 1.250 508 Q HN 0.858 nan 8.270 nan 0.000 0.481 509 Q N 0.283 120.084 119.800 0.003 0.000 2.327 509 Q HA 0.439 4.803 4.340 0.040 0.000 0.254 509 Q C -0.292 175.964 176.000 0.427 0.000 0.952 509 Q CA 0.188 56.084 55.803 0.155 0.000 0.884 509 Q CB 0.486 29.268 28.738 0.074 0.000 1.224 509 Q HN 0.352 nan 8.270 nan 0.000 0.422 510 Y N -1.585 118.863 120.300 0.246 0.000 2.689 510 Y HA 0.747 5.320 4.550 0.038 0.000 0.333 510 Y C -1.161 174.783 175.900 0.073 0.000 1.190 510 Y CA -1.499 56.759 58.100 0.264 0.000 1.063 510 Y CB 0.650 39.262 38.460 0.252 0.000 1.294 510 Y HN 0.363 nan 8.280 nan 0.000 0.466 511 V N -0.542 119.394 119.914 0.037 0.000 2.960 511 V HA 0.859 5.003 4.120 0.040 0.000 0.315 511 V C -0.455 175.609 176.094 -0.049 0.000 1.087 511 V CA -0.558 61.574 62.300 -0.280 0.000 0.982 511 V CB 1.433 32.776 31.823 -0.799 0.000 1.039 511 V HN 1.240 nan 8.190 nan 0.000 0.437 512 S N 3.243 118.889 115.700 -0.089 0.000 2.438 512 S HA 0.699 5.193 4.470 0.040 0.000 0.293 512 S C -0.531 174.058 174.600 -0.020 0.000 1.141 512 S CA -0.645 57.573 58.200 0.030 0.000 1.080 512 S CB 0.580 63.791 63.200 0.018 0.000 0.978 512 S HN 0.777 nan 8.310 nan 0.000 0.479 513 L N 4.690 125.949 121.223 0.060 0.000 2.259 513 L HA 0.489 4.853 4.340 0.040 0.000 0.288 513 L C -0.024 176.805 176.870 -0.069 0.000 1.051 513 L CA -0.336 54.561 54.840 0.094 0.000 0.824 513 L CB -0.233 41.969 42.059 0.238 0.000 1.206 513 L HN 0.919 nan 8.230 nan 0.000 0.429 514 N N 2.412 121.027 118.700 -0.142 0.000 3.526 514 N HA 0.279 5.043 4.740 0.040 0.000 0.328 514 N C 0.176 175.193 175.510 -0.822 0.000 1.601 514 N CA -0.898 51.786 53.050 -0.609 0.000 0.834 514 N CB 0.539 38.810 38.487 -0.360 0.000 1.983 514 N HN 0.174 nan 8.380 nan 0.000 0.579 515 L N -0.571 120.168 121.223 -0.807 0.000 2.217 515 L HA 0.085 4.449 4.340 0.040 0.000 0.211 515 L C 0.578 177.276 176.870 -0.287 0.000 1.107 515 L CA 0.942 55.393 54.840 -0.648 0.000 0.783 515 L CB -0.432 41.328 42.059 -0.498 0.000 0.919 515 L HN 0.385 nan 8.230 nan 0.000 0.442 516 K N 0.412 120.690 120.400 -0.203 0.000 2.138 516 K HA 0.264 4.608 4.320 0.040 0.000 0.251 516 K C -2.222 174.344 176.600 -0.056 0.000 1.015 516 K CA -1.912 54.314 56.287 -0.101 0.000 0.917 516 K CB -0.230 32.222 32.500 -0.079 0.000 1.021 516 K HN -0.186 nan 8.250 nan 0.000 0.485 517 P HA -0.002 nan 4.420 nan 0.000 0.271 517 P C -0.174 177.132 177.300 0.009 0.000 1.233 517 P CA -0.264 62.849 63.100 0.022 0.000 0.789 517 P CB 0.376 32.090 31.700 0.022 0.000 0.951 518 L N 1.240 122.481 121.223 0.030 0.000 2.615 518 L HA -0.096 4.268 4.340 0.040 0.000 0.284 518 L C 1.056 177.887 176.870 -0.064 0.000 1.237 518 L CA 1.006 55.820 54.840 -0.042 0.000 0.905 518 L CB -0.255 41.770 42.059 -0.057 0.000 1.149 518 L HN 0.491 nan 8.230 nan 0.000 0.499 519 E N 3.161 123.300 120.200 -0.102 0.000 2.165 519 E HA 0.335 4.709 4.350 0.040 0.000 0.266 519 E C -1.233 175.272 176.600 -0.159 0.000 0.889 519 E CA -0.768 55.572 56.400 -0.099 0.000 0.756 519 E CB 1.757 31.410 29.700 -0.078 0.000 1.131 519 E HN 0.305 nan 8.360 nan 0.000 0.411 520 V N 5.550 125.380 119.914 -0.141 0.000 2.455 520 V HA 0.326 4.470 4.120 0.040 0.000 0.273 520 V C 0.404 176.358 176.094 -0.233 0.000 1.045 520 V CA -0.061 62.132 62.300 -0.179 0.000 0.976 520 V CB 0.716 32.487 31.823 -0.085 0.000 0.993 520 V HN 0.663 nan 8.190 nan 0.000 0.475 521 R N 4.167 124.396 120.500 -0.452 0.000 2.902 521 R HA 0.753 5.117 4.340 0.040 0.000 0.258 521 R C -0.762 175.282 176.300 -0.426 0.000 1.071 521 R CA -1.077 54.733 56.100 -0.483 0.000 1.024 521 R CB 2.224 32.122 30.300 -0.670 0.000 1.184 521 R HN 0.558 nan 8.270 nan 0.000 0.492 522 R N -0.093 120.333 120.500 -0.124 0.000 2.534 522 R HA 0.454 4.818 4.340 0.040 0.000 0.301 522 R C -0.778 175.688 176.300 0.276 0.000 0.961 522 R CA -0.400 55.745 56.100 0.074 0.000 0.871 522 R CB 2.175 32.499 30.300 0.040 0.000 1.170 522 R HN 0.913 nan 8.270 nan 0.000 0.446 523 G N 2.742 111.789 108.800 0.411 0.000 3.445 523 G HA2 -0.194 3.790 3.960 0.040 0.000 0.680 523 G HA3 -0.194 3.790 3.960 0.040 0.000 0.680 523 G C -0.953 174.174 174.900 0.378 0.000 0.972 523 G CA -0.961 44.350 45.100 0.352 0.000 0.798 523 G HN 0.362 nan 8.290 nan 0.000 0.461 524 L N 4.556 125.883 121.223 0.173 0.000 2.356 524 L HA 0.419 4.783 4.340 0.040 0.000 0.282 524 L C 1.655 178.536 176.870 0.020 0.000 1.132 524 L CA 0.135 54.895 54.840 -0.133 0.000 0.923 524 L CB -0.507 41.385 42.059 -0.278 0.000 1.278 524 L HN 0.776 nan 8.230 nan 0.000 0.436 525 R N 2.436 122.984 120.500 0.081 0.000 3.416 525 R HA -0.270 4.094 4.340 0.040 0.000 0.263 525 R C 1.369 177.761 176.300 0.153 0.000 1.053 525 R CA 0.694 56.872 56.100 0.130 0.000 0.705 525 R CB -1.981 28.399 30.300 0.134 0.000 1.124 525 R HN 0.718 nan 8.270 nan 0.000 0.444 526 A N 0.586 123.496 122.820 0.150 0.000 1.892 526 A HA -0.259 4.085 4.320 0.040 0.000 0.218 526 A C 2.085 179.760 177.584 0.152 0.000 1.188 526 A CA 1.379 53.505 52.037 0.148 0.000 0.631 526 A CB -0.124 18.960 19.000 0.139 0.000 0.822 526 A HN 0.398 nan 8.150 nan 0.000 0.447 527 Q N -0.815 119.073 119.800 0.147 0.000 2.046 527 Q HA -0.105 4.259 4.340 0.040 0.000 0.200 527 Q C 2.241 178.364 176.000 0.205 0.000 0.975 527 Q CA 2.053 57.947 55.803 0.152 0.000 0.836 527 Q CB -1.108 27.703 28.738 0.123 0.000 0.896 527 Q HN 0.659 nan 8.270 nan 0.000 0.428 528 T N 0.395 115.087 114.554 0.230 0.000 2.821 528 T HA -0.096 4.278 4.350 0.040 0.000 0.267 528 T C 1.993 176.919 174.700 0.377 0.000 1.046 528 T CA 0.985 63.245 62.100 0.267 0.000 1.139 528 T CB -0.197 68.861 68.868 0.317 0.000 0.871 528 T HN 0.306 nan 8.240 nan 0.000 0.454 529 c N 1.480 120.274 118.600 0.323 0.000 2.446 529 c HA 0.273 4.867 4.570 0.040 0.000 0.279 529 c C 3.110 177.360 174.090 0.266 0.000 1.366 529 c CA -0.003 56.520 56.329 0.324 0.000 1.763 529 c CB -1.318 41.315 42.510 0.204 0.000 1.929 529 c HN 0.639 nan 8.230 nan 0.000 0.509 530 A N 0.328 123.277 122.820 0.216 0.000 1.902 530 A HA -0.208 4.136 4.320 0.040 0.000 0.217 530 A C 1.879 179.576 177.584 0.187 0.000 1.181 530 A CA 1.720 53.862 52.037 0.175 0.000 0.623 530 A CB -0.828 18.261 19.000 0.149 0.000 0.818 530 A HN 0.552 nan 8.150 nan 0.000 0.443 531 F N -0.884 119.079 119.950 0.021 0.000 2.069 531 F HA -0.197 4.356 4.527 0.043 0.000 0.298 531 F C 1.992 177.771 175.800 -0.036 0.000 1.113 531 F CA 1.915 59.858 58.000 -0.095 0.000 1.214 531 F CB -0.533 38.168 39.000 -0.499 0.000 0.978 531 F HN 0.381 nan 8.300 nan 0.000 0.474 532 W N 0.501 121.815 121.300 0.024 0.000 2.409 532 W HA -0.108 4.575 4.660 0.038 0.000 0.299 532 W C 2.190 178.663 176.519 -0.076 0.000 1.203 532 W CA 0.933 58.237 57.345 -0.068 0.000 1.298 532 W CB -0.446 29.094 29.460 0.134 0.000 1.127 532 W HN -0.035 nan 8.180 nan 0.000 0.528 533 N N -0.466 118.364 118.700 0.218 0.000 2.395 533 N HA 0.032 4.796 4.740 0.040 0.000 0.175 533 N C 1.489 177.034 175.510 0.059 0.000 1.029 533 N CA 0.901 54.023 53.050 0.121 0.000 0.897 533 N CB -0.179 38.376 38.487 0.112 0.000 0.991 533 N HN 0.232 nan 8.380 nan 0.000 0.441 534 R N -1.456 119.081 120.500 0.061 0.000 2.225 534 R HA 0.225 4.588 4.340 0.040 0.000 0.194 534 R C 1.296 177.626 176.300 0.050 0.000 0.949 534 R CA 0.052 56.187 56.100 0.057 0.000 1.088 534 R CB 0.012 30.367 30.300 0.092 0.000 1.106 534 R HN 0.058 nan 8.270 nan 0.000 0.566 535 F N 1.253 121.107 119.950 -0.160 0.000 2.222 535 F HA 0.132 4.684 4.527 0.041 0.000 0.285 535 F C 1.875 177.494 175.800 -0.300 0.000 1.068 535 F CA 0.729 58.604 58.000 -0.210 0.000 1.265 535 F CB -0.294 38.585 39.000 -0.202 0.000 1.087 535 F HN -0.179 nan 8.300 nan 0.000 0.511 536 L N 0.884 121.712 121.223 -0.659 0.000 2.051 536 L HA -0.218 4.146 4.340 0.040 0.000 0.214 536 L C -0.474 176.124 176.870 -0.453 0.000 1.076 536 L CA 2.229 56.654 54.840 -0.692 0.000 0.758 536 L CB -2.017 39.680 42.059 -0.604 0.000 0.890 536 L HN 0.149 nan 8.230 nan 0.000 0.433 537 P HA -0.199 nan 4.420 nan 0.000 0.215 537 P C 1.401 178.565 177.300 -0.228 0.000 1.157 537 P CA 1.530 64.518 63.100 -0.186 0.000 0.874 537 P CB -0.032 31.601 31.700 -0.111 0.000 0.790 538 K N -0.873 119.354 120.400 -0.288 0.000 2.063 538 K HA -0.161 4.183 4.320 0.040 0.000 0.208 538 K C 1.939 178.342 176.600 -0.328 0.000 1.048 538 K CA 1.151 57.275 56.287 -0.271 0.000 0.928 538 K CB -1.021 31.321 32.500 -0.262 0.000 0.713 538 K HN 0.062 nan 8.250 nan 0.000 0.442 539 L N 1.103 122.001 121.223 -0.543 0.000 2.353 539 L HA -0.091 4.273 4.340 0.040 0.000 0.220 539 L C 1.589 178.310 176.870 -0.247 0.000 1.133 539 L CA 1.454 56.021 54.840 -0.456 0.000 0.798 539 L CB -0.046 41.625 42.059 -0.647 0.000 0.922 539 L HN 0.161 nan 8.230 nan 0.000 0.445 540 L N -1.834 119.259 121.223 -0.216 0.000 2.388 540 L HA 0.123 4.487 4.340 0.040 0.000 0.209 540 L C 1.567 178.377 176.870 -0.100 0.000 1.061 540 L CA 0.693 55.453 54.840 -0.132 0.000 0.834 540 L CB -0.235 41.756 42.059 -0.113 0.000 1.029 540 L HN 0.295 nan 8.230 nan 0.000 0.473 541 S N 0.383 116.019 115.700 -0.107 0.000 3.227 541 S HA 0.444 4.938 4.470 0.040 0.000 0.249 541 S C 0.587 175.142 174.600 -0.075 0.000 1.322 541 S CA 0.257 58.410 58.200 -0.079 0.000 1.253 541 S CB 0.035 63.191 63.200 -0.072 0.000 1.076 541 S HN 0.315 nan 8.310 nan 0.000 0.471 542 A N -0.350 122.425 122.820 -0.076 0.000 2.370 542 A HA 0.400 4.744 4.320 0.040 0.000 0.219 542 A C 0.501 178.050 177.584 -0.058 0.000 2.776 542 A CA -0.108 51.892 52.037 -0.062 0.000 1.633 542 A CB -1.171 17.787 19.000 -0.071 0.000 0.390 542 A HN 0.588 nan 8.150 nan 0.000 0.611 543 T N 0.000 114.519 114.554 -0.058 0.000 3.816 543 T HA 0.000 4.374 4.350 0.040 0.000 0.228 543 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 543 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658