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 3n58_1_B DATA FIRST_RESID 6 DATA SEQUENCE SMVVKDISLA DWGRKELDIA ETEMPGLMAA REEFGKSQPL KGARISGSLH DATA SEQUENCE MTIQTAVLIE TLKVLGAEVR WASCNIFSTQ DHAAAAIAAT GTPVFAVKGE DATA SEQUENCE TLEEYWTYTD QIFQWPDGEP SNMILDDGGD ATMYILIGAR AEAGEDVLSN DATA SEQUENCE PQSEEEEVLF AQIKKRMAAT PGFFTKQRAA IKGVTEETTT GVNRLYQLQK DATA SEQUENCE KGLLPFPAIN VNDSVTKSKF DNKYGCKESL VDGIRRGTDV MMAGKVAVVC DATA SEQUENCE GYGDVGKGSA QSLAGAGARV KVTEVDPICA LQAAMDGFEV VTLDDAASTA DATA SEQUENCE DIVVTTTGNK DVITIDHMRK MKDMCIVGNI GHFDNEIQVA ALRNLKWTNV DATA SEQUENCE KPQVDLIEFP DGKRLILLSE GRLLNLGNAT GHPSFVMSAS FTNQVLGQIE DATA SEQUENCE LFTRTDAYKN EVYVLPKHLD EKVARLHLDK LGAKLTVLSE EQAAYIGVTP DATA SEQUENCE QGPFKSEHYR Y 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.504 174.600 -0.161 0.000 1.055 6 S CA 0.000 58.211 58.200 0.018 0.000 1.107 6 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 7 M N -0.685 118.777 119.600 -0.229 0.000 2.447 7 M HA 0.671 5.427 4.480 0.460 0.000 0.292 7 M C -1.957 174.130 176.300 -0.356 0.000 1.083 7 M CA -0.650 54.304 55.300 -0.577 0.000 0.907 7 M CB 1.590 33.943 32.600 -0.412 0.000 1.829 7 M HN 0.062 nan 8.290 nan 0.000 0.518 8 V N 3.208 122.841 119.914 -0.468 0.000 2.407 8 V HA 0.902 5.298 4.120 0.460 0.000 0.291 8 V C -0.533 175.385 176.094 -0.293 0.000 1.018 8 V CA -0.309 61.830 62.300 -0.269 0.000 0.842 8 V CB 1.611 33.262 31.823 -0.287 0.000 0.996 8 V HN 0.978 nan 8.190 nan 0.000 0.426 9 V N 2.214 122.020 119.914 -0.180 0.000 3.130 9 V HA 0.852 5.248 4.120 0.460 0.000 0.310 9 V C 0.692 176.752 176.094 -0.056 0.000 1.158 9 V CA 0.028 62.251 62.300 -0.128 0.000 1.029 9 V CB 1.759 33.507 31.823 -0.124 0.000 1.057 9 V HN 0.629 nan 8.190 nan 0.000 0.436 10 K N -0.207 120.182 120.400 -0.019 0.000 2.103 10 K HA 0.388 4.984 4.320 0.460 0.000 0.204 10 K C 0.847 177.462 176.600 0.024 0.000 1.052 10 K CA 2.022 58.320 56.287 0.019 0.000 0.945 10 K CB -1.051 31.477 32.500 0.046 0.000 0.722 10 K HN 2.021 nan 8.250 nan 0.000 0.443 11 D N -2.013 118.401 120.400 0.023 0.000 2.333 11 D HA 0.542 5.458 4.640 0.460 0.000 0.225 11 D C 0.680 176.995 176.300 0.025 0.000 1.345 11 D CA 0.050 54.068 54.000 0.031 0.000 0.971 11 D CB -0.503 40.331 40.800 0.057 0.000 1.451 11 D HN 0.756 nan 8.370 nan 0.000 0.561 12 I N -0.067 120.504 120.570 0.001 0.000 2.623 12 I HA 0.209 4.656 4.170 0.460 0.000 0.261 12 I C 2.847 178.974 176.117 0.018 0.000 1.204 12 I CA 2.953 64.248 61.300 -0.008 0.000 1.444 12 I CB -1.460 36.526 38.000 -0.024 0.000 1.094 12 I HN 0.975 nan 8.210 nan 0.000 0.451 13 S N 0.363 116.083 115.700 0.035 0.000 2.402 13 S HA 0.186 4.932 4.470 0.460 0.000 0.229 13 S C 2.157 176.812 174.600 0.093 0.000 1.021 13 S CA 1.898 60.127 58.200 0.049 0.000 0.974 13 S CB -0.885 62.339 63.200 0.041 0.000 0.800 13 S HN 1.707 nan 8.310 nan 0.000 0.484 14 L N 0.553 121.857 121.223 0.136 0.000 2.675 14 L HA 0.688 5.304 4.340 0.460 0.000 0.238 14 L C 2.562 179.573 176.870 0.235 0.000 1.155 14 L CA 1.414 56.412 54.840 0.263 0.000 0.881 14 L CB -2.113 40.153 42.059 0.344 0.000 1.008 14 L HN 0.664 nan 8.230 nan 0.000 0.443 15 A N -0.911 121.980 122.820 0.118 0.000 1.930 15 A HA -0.178 4.419 4.320 0.460 0.000 0.217 15 A C 2.159 179.785 177.584 0.070 0.000 1.175 15 A CA 1.470 53.539 52.037 0.055 0.000 0.627 15 A CB -0.425 18.579 19.000 0.007 0.000 0.815 15 A HN 0.598 nan 8.150 nan 0.000 0.443 16 D N -1.523 118.944 120.400 0.112 0.000 2.144 16 D HA -0.147 4.769 4.640 0.460 0.000 0.200 16 D C 1.569 177.982 176.300 0.189 0.000 0.978 16 D CA 1.138 55.206 54.000 0.113 0.000 0.833 16 D CB -0.324 40.535 40.800 0.099 0.000 0.961 16 D HN 0.725 nan 8.370 nan 0.000 0.470 17 W N 2.218 123.543 121.300 0.041 0.000 2.379 17 W HA -0.014 4.924 4.660 0.463 0.000 0.307 17 W C 2.226 178.837 176.519 0.153 0.000 1.200 17 W CA 1.908 59.294 57.345 0.068 0.000 1.297 17 W CB -0.903 28.577 29.460 0.034 0.000 1.140 17 W HN -0.047 nan 8.180 nan 0.000 0.507 18 G N 0.864 109.647 108.800 -0.028 0.000 2.529 18 G HA2 -0.414 3.822 3.960 0.460 0.000 0.219 18 G HA3 -0.414 3.822 3.960 0.460 0.000 0.219 18 G C 1.610 176.419 174.900 -0.151 0.000 1.177 18 G CA 1.728 46.688 45.100 -0.232 0.000 0.773 18 G HN 0.284 nan 8.290 nan 0.000 0.573 19 R N 1.114 121.580 120.500 -0.055 0.000 2.091 19 R HA -0.042 4.575 4.340 0.460 0.000 0.238 19 R C 2.825 179.122 176.300 -0.005 0.000 1.136 19 R CA 2.467 58.545 56.100 -0.037 0.000 0.959 19 R CB -0.805 29.489 30.300 -0.011 0.000 0.856 19 R HN 0.366 nan 8.270 nan 0.000 0.437 20 K N -0.095 120.336 120.400 0.053 0.000 2.097 20 K HA -0.064 4.532 4.320 0.460 0.000 0.206 20 K C 2.360 178.997 176.600 0.062 0.000 1.049 20 K CA 1.989 58.328 56.287 0.085 0.000 0.933 20 K CB -1.503 31.101 32.500 0.172 0.000 0.717 20 K HN 0.666 nan 8.250 nan 0.000 0.442 21 E N 1.331 121.544 120.200 0.022 0.000 2.051 21 E HA -0.047 4.579 4.350 0.460 0.000 0.192 21 E C 2.172 178.749 176.600 -0.038 0.000 0.991 21 E CA 1.277 57.669 56.400 -0.013 0.000 0.799 21 E CB -0.683 28.953 29.700 -0.108 0.000 0.748 21 E HN 0.543 nan 8.360 nan 0.000 0.449 22 L N 0.641 121.820 121.223 -0.074 0.000 1.990 22 L HA -0.238 4.378 4.340 0.460 0.000 0.213 22 L C 2.518 179.370 176.870 -0.030 0.000 1.072 22 L CA 1.939 56.738 54.840 -0.068 0.000 0.755 22 L CB -0.830 41.176 42.059 -0.089 0.000 0.889 22 L HN 0.333 nan 8.230 nan 0.000 0.432 23 D N 0.295 120.686 120.400 -0.015 0.000 2.172 23 D HA -0.219 4.697 4.640 0.460 0.000 0.196 23 D C 2.108 178.414 176.300 0.009 0.000 0.999 23 D CA 1.633 55.633 54.000 -0.001 0.000 0.856 23 D CB -0.194 40.612 40.800 0.011 0.000 0.934 23 D HN 0.399 nan 8.370 nan 0.000 0.453 24 I N 1.171 121.752 120.570 0.018 0.000 2.235 24 I HA -0.152 4.294 4.170 0.460 0.000 0.241 24 I C 2.616 178.750 176.117 0.028 0.000 1.085 24 I CA 0.967 62.284 61.300 0.029 0.000 1.378 24 I CB -0.318 37.707 38.000 0.042 0.000 1.076 24 I HN -0.110 nan 8.210 nan 0.000 0.415 25 A N 0.493 123.324 122.820 0.019 0.000 1.940 25 A HA -0.259 4.338 4.320 0.460 0.000 0.219 25 A C 2.196 179.795 177.584 0.025 0.000 1.176 25 A CA 1.930 53.981 52.037 0.024 0.000 0.631 25 A CB -0.730 18.273 19.000 0.006 0.000 0.814 25 A HN 0.489 nan 8.150 nan 0.000 0.446 26 E N -0.620 119.585 120.200 0.008 0.000 2.118 26 E HA -0.169 4.458 4.350 0.460 0.000 0.195 26 E C 2.134 178.744 176.600 0.016 0.000 0.992 26 E CA 1.678 58.080 56.400 0.003 0.000 0.804 26 E CB -0.381 29.312 29.700 -0.011 0.000 0.741 26 E HN 0.874 nan 8.360 nan 0.000 0.458 27 T N -0.946 113.624 114.554 0.026 0.000 3.007 27 T HA -0.061 4.565 4.350 0.460 0.000 0.270 27 T C 1.428 176.169 174.700 0.070 0.000 1.107 27 T CA 0.708 62.830 62.100 0.037 0.000 1.118 27 T CB 0.134 69.022 68.868 0.034 0.000 0.889 27 T HN -0.061 nan 8.240 nan 0.000 0.506 28 E N 0.445 120.695 120.200 0.085 0.000 2.501 28 E HA 0.296 4.922 4.350 0.460 0.000 0.200 28 E C 0.120 176.812 176.600 0.154 0.000 1.016 28 E CA 0.042 56.533 56.400 0.152 0.000 0.921 28 E CB 0.368 30.151 29.700 0.139 0.000 1.034 28 E HN 0.662 nan 8.360 nan 0.000 0.468 29 M N 1.142 120.780 119.600 0.063 0.000 2.952 29 M HA 0.187 4.943 4.480 0.460 0.000 0.259 29 M C -1.968 174.281 176.300 -0.084 0.000 1.306 29 M CA -1.391 53.902 55.300 -0.011 0.000 0.626 29 M CB 1.540 34.145 32.600 0.007 0.000 1.423 29 M HN -0.230 nan 8.290 nan 0.000 0.459 30 P HA -0.117 nan 4.420 nan 0.000 0.218 30 P C 1.447 178.530 177.300 -0.361 0.000 1.148 30 P CA 1.606 64.598 63.100 -0.181 0.000 0.822 30 P CB 0.129 31.761 31.700 -0.113 0.000 0.784 31 G N 1.078 109.469 108.800 -0.682 0.000 2.511 31 G HA2 -0.231 4.005 3.960 0.460 0.000 0.216 31 G HA3 -0.231 4.005 3.960 0.460 0.000 0.216 31 G C 1.692 176.454 174.900 -0.230 0.000 1.218 31 G CA 0.768 45.422 45.100 -0.745 0.000 0.788 31 G HN 0.232 nan 8.290 nan 0.000 0.560 32 L N -0.036 121.124 121.223 -0.105 0.000 2.093 32 L HA -0.055 4.562 4.340 0.460 0.000 0.208 32 L C 3.098 179.945 176.870 -0.038 0.000 1.085 32 L CA 0.610 55.436 54.840 -0.024 0.000 0.755 32 L CB -0.343 41.725 42.059 0.015 0.000 0.904 32 L HN 0.172 nan 8.230 nan 0.000 0.435 33 M N -0.402 119.158 119.600 -0.067 0.000 2.132 33 M HA -0.100 4.656 4.480 0.460 0.000 0.263 33 M C 2.586 178.848 176.300 -0.064 0.000 1.065 33 M CA 1.829 57.096 55.300 -0.056 0.000 1.122 33 M CB -1.316 31.252 32.600 -0.054 0.000 1.365 33 M HN 0.256 nan 8.290 nan 0.000 0.411 34 A N 0.218 122.980 122.820 -0.098 0.000 1.969 34 A HA 0.064 4.660 4.320 0.460 0.000 0.218 34 A C 2.440 179.963 177.584 -0.102 0.000 1.169 34 A CA 1.807 53.779 52.037 -0.109 0.000 0.635 34 A CB -0.823 18.091 19.000 -0.144 0.000 0.810 34 A HN 0.464 nan 8.150 nan 0.000 0.445 35 A N 0.179 122.974 122.820 -0.042 0.000 1.908 35 A HA -0.209 4.388 4.320 0.460 0.000 0.218 35 A C 2.247 179.883 177.584 0.087 0.000 1.181 35 A CA 1.624 53.711 52.037 0.084 0.000 0.627 35 A CB -0.470 18.633 19.000 0.171 0.000 0.818 35 A HN 0.577 nan 8.150 nan 0.000 0.445 36 R N -0.959 119.559 120.500 0.029 0.000 2.092 36 R HA -0.040 4.576 4.340 0.460 0.000 0.231 36 R C 2.458 178.753 176.300 -0.009 0.000 1.119 36 R CA 1.493 57.607 56.100 0.024 0.000 0.970 36 R CB -0.449 29.849 30.300 -0.003 0.000 0.864 36 R HN 0.695 nan 8.270 nan 0.000 0.440 37 E N 1.573 121.742 120.200 -0.051 0.000 2.107 37 E HA -0.200 4.426 4.350 0.460 0.000 0.191 37 E C 1.693 178.224 176.600 -0.114 0.000 0.982 37 E CA 1.323 57.681 56.400 -0.069 0.000 0.809 37 E CB -0.358 29.299 29.700 -0.072 0.000 0.756 37 E HN 0.613 nan 8.360 nan 0.000 0.459 38 E N -1.604 118.466 120.200 -0.217 0.000 2.076 38 E HA -0.018 4.608 4.350 0.460 0.000 0.190 38 E C 1.263 177.625 176.600 -0.397 0.000 0.979 38 E CA 1.090 57.247 56.400 -0.405 0.000 0.807 38 E CB -0.096 29.178 29.700 -0.708 0.000 0.761 38 E HN 0.532 nan 8.360 nan 0.000 0.454 39 F N -0.430 119.515 119.950 -0.008 0.000 2.721 39 F HA 0.371 4.949 4.527 0.085 0.000 0.301 39 F C 1.913 177.708 175.800 -0.009 0.000 1.096 39 F CA 0.308 58.306 58.000 -0.004 0.000 1.308 39 F CB 0.085 39.083 39.000 -0.003 0.000 1.086 39 F HN 0.095 nan 8.300 nan 0.000 0.587 40 G N 0.815 109.683 108.800 0.114 0.000 2.440 40 G HA2 -0.295 3.941 3.960 0.460 0.000 0.218 40 G HA3 -0.295 3.941 3.960 0.460 0.000 0.218 40 G C 1.909 176.840 174.900 0.052 0.000 1.154 40 G CA 1.566 46.705 45.100 0.066 0.000 0.767 40 G HN 0.380 nan 8.290 nan 0.000 0.552 41 K N 1.012 121.438 120.400 0.042 0.000 2.062 41 K HA 0.060 4.657 4.320 0.460 0.000 0.205 41 K C 2.754 179.383 176.600 0.049 0.000 1.051 41 K CA 1.854 58.161 56.287 0.033 0.000 0.941 41 K CB -1.026 31.484 32.500 0.017 0.000 0.719 41 K HN 0.663 nan 8.250 nan 0.000 0.440 42 S N 0.110 115.857 115.700 0.079 0.000 2.481 42 S HA -0.108 4.638 4.470 0.460 0.000 0.231 42 S C 0.553 175.203 174.600 0.082 0.000 0.996 42 S CA 0.644 58.899 58.200 0.091 0.000 0.942 42 S CB -0.280 63.001 63.200 0.135 0.000 0.768 42 S HN 0.543 nan 8.310 nan 0.000 0.520 43 Q N 1.021 120.867 119.800 0.078 0.000 2.437 43 Q HA -0.115 4.502 4.340 0.460 0.000 0.354 43 Q C -1.801 174.221 176.000 0.037 0.000 1.402 43 Q CA 0.914 56.745 55.803 0.046 0.000 1.020 43 Q CB -1.584 27.171 28.738 0.028 0.000 1.220 43 Q HN 0.583 nan 8.270 nan 0.000 0.368 44 P HA -0.081 nan 4.420 nan 0.000 0.237 44 P C 0.911 178.219 177.300 0.012 0.000 1.178 44 P CA 0.788 63.902 63.100 0.023 0.000 0.766 44 P CB 0.216 31.882 31.700 -0.057 0.000 0.876 45 L N -1.581 119.593 121.223 -0.082 0.000 2.857 45 L HA 0.200 4.816 4.340 0.460 0.000 0.249 45 L C 1.199 177.932 176.870 -0.229 0.000 1.172 45 L CA -0.421 54.261 54.840 -0.263 0.000 0.980 45 L CB -0.465 41.419 42.059 -0.291 0.000 1.299 45 L HN -0.187 nan 8.230 nan 0.000 0.535 46 K N 0.747 121.109 120.400 -0.064 0.000 2.484 46 K HA 0.379 4.975 4.320 0.460 0.000 0.280 46 K C 1.261 177.873 176.600 0.021 0.000 1.013 46 K CA 0.604 56.877 56.287 -0.024 0.000 1.029 46 K CB -0.298 32.215 32.500 0.021 0.000 0.902 46 K HN 0.477 nan 8.250 nan 0.000 0.481 47 G N -0.179 108.614 108.800 -0.010 0.000 2.234 47 G HA2 0.105 4.341 3.960 0.460 0.000 0.235 47 G HA3 0.105 4.341 3.960 0.460 0.000 0.235 47 G C 0.653 175.564 174.900 0.017 0.000 0.997 47 G CA 0.453 45.603 45.100 0.083 0.000 0.623 47 G HN 2.092 nan 8.290 nan 0.000 0.514 48 A N 0.264 122.829 122.820 -0.424 0.000 2.440 48 A HA 0.706 5.302 4.320 0.460 0.000 0.251 48 A C 0.649 178.053 177.584 -0.300 0.000 1.089 48 A CA 0.443 52.061 52.037 -0.698 0.000 0.779 48 A CB 0.190 18.560 19.000 -1.051 0.000 1.022 48 A HN 0.546 nan 8.150 nan 0.000 0.492 49 R N 2.261 122.617 120.500 -0.240 0.000 2.415 49 R HA 0.390 5.006 4.340 0.460 0.000 0.292 49 R C -1.355 174.938 176.300 -0.011 0.000 1.295 49 R CA -0.014 55.897 56.100 -0.316 0.000 1.137 49 R CB 1.037 30.857 30.300 -0.801 0.000 1.135 49 R HN 0.693 nan 8.270 nan 0.000 0.560 50 I N 1.217 121.896 120.570 0.182 0.000 2.331 50 I HA 0.187 4.634 4.170 0.460 0.000 0.292 50 I C 0.187 176.419 176.117 0.191 0.000 0.998 50 I CA -0.278 61.106 61.300 0.140 0.000 1.267 50 I CB 1.941 39.975 38.000 0.057 0.000 1.386 50 I HN 0.362 nan 8.210 nan 0.000 0.476 51 S N 4.504 120.220 115.700 0.027 0.000 2.410 51 S HA 0.486 5.232 4.470 0.460 0.000 0.304 51 S C 0.264 174.611 174.600 -0.421 0.000 1.095 51 S CA -0.594 57.448 58.200 -0.263 0.000 1.089 51 S CB 0.921 63.791 63.200 -0.549 0.000 0.968 51 S HN 0.791 nan 8.310 nan 0.000 0.480 52 G N 1.471 109.874 108.800 -0.662 0.000 2.379 52 G HA2 0.524 4.760 3.960 0.460 0.000 0.327 52 G HA3 0.524 4.760 3.960 0.460 0.000 0.327 52 G C -0.740 173.336 174.900 -1.373 0.000 1.145 52 G CA -0.507 43.779 45.100 -1.357 0.000 0.905 52 G HN 0.557 nan 8.290 nan 0.000 0.466 53 S N 2.103 117.199 115.700 -1.005 0.000 2.745 53 S HA 0.674 5.420 4.470 0.460 0.000 0.283 53 S C -0.959 173.374 174.600 -0.444 0.000 1.170 53 S CA -0.641 57.169 58.200 -0.650 0.000 1.119 53 S CB 0.016 63.000 63.200 -0.361 0.000 1.035 53 S HN 0.653 nan 8.310 nan 0.000 0.483 54 L N 4.808 125.847 121.223 -0.307 0.000 2.705 54 L HA 0.371 4.988 4.340 0.460 0.000 0.260 54 L C -0.804 176.156 176.870 0.151 0.000 0.921 54 L CA -0.744 54.069 54.840 -0.046 0.000 0.948 54 L CB 1.360 43.498 42.059 0.132 0.000 1.427 54 L HN 0.741 nan 8.230 nan 0.000 0.432 55 H N 4.499 123.677 119.070 0.180 0.000 3.188 55 H HA -0.160 4.671 4.556 0.460 0.000 0.255 55 H C 0.385 175.813 175.328 0.166 0.000 0.815 55 H CA 0.438 56.585 56.048 0.165 0.000 1.436 55 H CB 0.260 30.115 29.762 0.154 0.000 1.378 55 H HN 0.434 nan 8.280 nan 0.000 0.510 56 M N 4.569 124.309 119.600 0.232 0.000 3.596 56 M HA 0.011 4.767 4.480 0.460 0.000 0.212 56 M C 0.177 176.488 176.300 0.018 0.000 1.519 56 M CA -0.201 55.164 55.300 0.107 0.000 1.670 56 M CB -0.848 31.802 32.600 0.082 0.000 1.113 56 M HN 0.608 nan 8.290 nan 0.000 0.565 57 T N -1.827 112.742 114.554 0.025 0.000 2.923 57 T HA 0.449 5.076 4.350 0.460 0.000 0.281 57 T C 1.209 175.839 174.700 -0.115 0.000 0.995 57 T CA -0.861 61.224 62.100 -0.025 0.000 0.985 57 T CB 0.880 69.781 68.868 0.056 0.000 1.114 57 T HN 0.288 nan 8.240 nan 0.000 0.548 58 I N 0.902 121.377 120.570 -0.159 0.000 2.163 58 I HA -0.135 4.311 4.170 0.460 0.000 0.243 58 I C 2.857 178.923 176.117 -0.085 0.000 1.085 58 I CA 1.548 62.735 61.300 -0.189 0.000 1.347 58 I CB -0.788 37.089 38.000 -0.206 0.000 1.044 58 I HN 0.685 nan 8.210 nan 0.000 0.408 59 Q N -0.283 119.530 119.800 0.023 0.000 2.096 59 Q HA -0.220 4.396 4.340 0.460 0.000 0.208 59 Q C 2.223 178.327 176.000 0.173 0.000 0.993 59 Q CA 2.652 58.553 55.803 0.163 0.000 0.862 59 Q CB -0.686 28.215 28.738 0.272 0.000 0.915 59 Q HN 0.486 nan 8.270 nan 0.000 0.416 60 T N -0.049 114.532 114.554 0.045 0.000 2.995 60 T HA -0.015 4.611 4.350 0.460 0.000 0.269 60 T C 1.748 176.171 174.700 -0.461 0.000 1.091 60 T CA 0.839 62.751 62.100 -0.313 0.000 1.128 60 T CB -0.257 68.474 68.868 -0.229 0.000 0.891 60 T HN 0.397 nan 8.240 nan 0.000 0.492 61 A N 1.226 123.848 122.820 -0.330 0.000 1.930 61 A HA -0.015 4.581 4.320 0.460 0.000 0.217 61 A C 2.524 179.932 177.584 -0.294 0.000 1.175 61 A CA 1.161 52.983 52.037 -0.359 0.000 0.627 61 A CB -0.867 17.963 19.000 -0.283 0.000 0.815 61 A HN 0.376 nan 8.150 nan 0.000 0.443 62 V N -0.108 119.693 119.914 -0.189 0.000 2.427 62 V HA -0.201 4.195 4.120 0.460 0.000 0.248 62 V C 2.450 178.457 176.094 -0.145 0.000 1.051 62 V CA 1.713 63.938 62.300 -0.125 0.000 1.048 62 V CB -0.911 30.888 31.823 -0.040 0.000 0.666 62 V HN 0.591 nan 8.190 nan 0.000 0.456 63 L N 0.431 121.536 121.223 -0.197 0.000 1.970 63 L HA -0.177 4.439 4.340 0.460 0.000 0.212 63 L C 2.235 178.908 176.870 -0.328 0.000 1.071 63 L CA 1.995 56.676 54.840 -0.265 0.000 0.751 63 L CB -0.637 41.097 42.059 -0.543 0.000 0.889 63 L HN 0.209 nan 8.230 nan 0.000 0.432 64 I N -0.198 120.054 120.570 -0.531 0.000 2.087 64 I HA -0.367 4.079 4.170 0.460 0.000 0.240 64 I C 2.502 178.442 176.117 -0.295 0.000 1.054 64 I CA 2.033 63.001 61.300 -0.554 0.000 1.311 64 I CB -0.533 37.011 38.000 -0.759 0.000 1.024 64 I HN 0.406 nan 8.210 nan 0.000 0.402 65 E N -0.028 120.024 120.200 -0.247 0.000 2.153 65 E HA -0.191 4.435 4.350 0.460 0.000 0.194 65 E C 2.125 178.658 176.600 -0.112 0.000 0.988 65 E CA 1.713 58.018 56.400 -0.160 0.000 0.811 65 E CB -0.233 29.383 29.700 -0.140 0.000 0.746 65 E HN 0.524 nan 8.360 nan 0.000 0.466 66 T N 1.751 116.240 114.554 -0.108 0.000 2.708 66 T HA -0.131 4.495 4.350 0.460 0.000 0.266 66 T C 1.971 176.636 174.700 -0.057 0.000 1.037 66 T CA 0.864 62.926 62.100 -0.063 0.000 1.146 66 T CB -0.194 68.648 68.868 -0.044 0.000 0.865 66 T HN 0.109 nan 8.240 nan 0.000 0.435 67 L N 0.317 121.491 121.223 -0.082 0.000 2.079 67 L HA -0.129 4.487 4.340 0.460 0.000 0.210 67 L C 2.581 179.411 176.870 -0.066 0.000 1.081 67 L CA 1.430 56.228 54.840 -0.070 0.000 0.752 67 L CB -0.449 41.578 42.059 -0.053 0.000 0.896 67 L HN 0.240 nan 8.230 nan 0.000 0.433 68 K N -0.501 119.858 120.400 -0.068 0.000 2.062 68 K HA -0.074 4.522 4.320 0.460 0.000 0.205 68 K C 2.041 178.616 176.600 -0.042 0.000 1.051 68 K CA 0.833 57.088 56.287 -0.054 0.000 0.941 68 K CB -0.173 32.291 32.500 -0.060 0.000 0.719 68 K HN 0.035 nan 8.250 nan 0.000 0.440 69 V N 1.418 121.308 119.914 -0.039 0.000 2.453 69 V HA -0.205 4.191 4.120 0.460 0.000 0.252 69 V C 1.560 177.652 176.094 -0.003 0.000 1.068 69 V CA 1.408 63.696 62.300 -0.019 0.000 1.070 69 V CB -0.315 31.500 31.823 -0.014 0.000 0.664 69 V HN 0.229 nan 8.190 nan 0.000 0.461 70 L N 0.277 121.493 121.223 -0.011 0.000 2.629 70 L HA 0.381 4.997 4.340 0.460 0.000 0.230 70 L C 1.660 178.506 176.870 -0.040 0.000 1.151 70 L CA 1.215 56.053 54.840 -0.004 0.000 0.924 70 L CB -0.442 41.605 42.059 -0.019 0.000 1.137 70 L HN 0.440 nan 8.230 nan 0.000 0.457 71 G N -1.460 107.314 108.800 -0.043 0.000 2.176 71 G HA2 -0.194 4.042 3.960 0.460 0.000 0.232 71 G HA3 -0.194 4.042 3.960 0.460 0.000 0.232 71 G C 0.527 175.374 174.900 -0.088 0.000 0.986 71 G CA -0.026 45.043 45.100 -0.052 0.000 0.643 71 G HN 0.633 nan 8.290 nan 0.000 0.522 72 A N -0.026 122.731 122.820 -0.106 0.000 2.354 72 A HA 0.771 5.367 4.320 0.460 0.000 0.269 72 A C 0.458 178.019 177.584 -0.038 0.000 1.109 72 A CA 1.243 53.205 52.037 -0.125 0.000 0.800 72 A CB 0.389 19.305 19.000 -0.141 0.000 1.045 72 A HN 1.820 nan 8.150 nan 0.000 0.489 73 E N 0.819 121.016 120.200 -0.004 0.000 2.216 73 E HA 0.581 5.207 4.350 0.460 0.000 0.279 73 E C -0.852 175.911 176.600 0.272 0.000 0.997 73 E CA -0.574 55.900 56.400 0.124 0.000 0.817 73 E CB 1.371 31.158 29.700 0.144 0.000 1.096 73 E HN 0.976 nan 8.360 nan 0.000 0.393 74 V N 2.787 122.856 119.914 0.259 0.000 2.841 74 V HA 0.692 5.089 4.120 0.460 0.000 0.310 74 V C -0.357 175.762 176.094 0.042 0.000 1.090 74 V CA -0.913 61.525 62.300 0.230 0.000 0.930 74 V CB 2.086 34.017 31.823 0.179 0.000 1.014 74 V HN 0.852 nan 8.190 nan 0.000 0.425 75 R N 2.625 123.074 120.500 -0.085 0.000 2.621 75 R HA 0.547 5.163 4.340 0.460 0.000 0.292 75 R C -1.669 174.620 176.300 -0.019 0.000 0.969 75 R CA -0.549 55.435 56.100 -0.193 0.000 0.887 75 R CB 2.617 32.567 30.300 -0.583 0.000 1.180 75 R HN 0.718 nan 8.270 nan 0.000 0.450 76 W N 1.410 122.615 121.300 -0.159 0.000 3.032 76 W HA 0.708 5.641 4.660 0.456 0.000 0.335 76 W C -1.544 174.932 176.519 -0.072 0.000 1.154 76 W CA -0.402 56.856 57.345 -0.144 0.000 1.204 76 W CB 2.361 31.719 29.460 -0.171 0.000 1.416 76 W HN 0.691 nan 8.180 nan 0.000 0.521 77 A N 1.980 124.712 122.820 -0.148 0.000 2.569 77 A HA 0.594 5.190 4.320 0.460 0.000 0.290 77 A C -1.004 176.537 177.584 -0.072 0.000 1.136 77 A CA -0.498 51.512 52.037 -0.046 0.000 0.710 77 A CB 1.667 20.576 19.000 -0.152 0.000 1.303 77 A HN 0.382 nan 8.150 nan 0.000 0.413 78 S N -0.961 114.736 115.700 -0.005 0.000 2.592 78 S HA 0.263 5.009 4.470 0.460 0.000 0.271 78 S C 1.027 175.579 174.600 -0.079 0.000 1.326 78 S CA 0.017 58.233 58.200 0.027 0.000 1.024 78 S CB 0.157 63.423 63.200 0.109 0.000 0.921 78 S HN 1.557 nan 8.310 nan 0.000 0.527 79 C N 3.318 122.561 119.300 -0.096 0.000 2.625 79 C HA 0.507 5.244 4.460 0.460 0.000 0.285 79 C C 0.448 175.484 174.990 0.076 0.000 1.279 79 C CA -0.968 58.003 59.018 -0.078 0.000 1.698 79 C CB -2.170 25.418 27.740 -0.254 0.000 1.821 79 C HN 0.756 nan 8.230 nan 0.000 0.600 80 N N 0.683 119.500 118.700 0.194 0.000 2.516 80 N HA 0.234 5.250 4.740 0.460 0.000 0.268 80 N C 0.573 176.175 175.510 0.153 0.000 1.096 80 N CA -0.395 52.759 53.050 0.173 0.000 0.954 80 N CB 1.435 40.107 38.487 0.308 0.000 1.676 80 N HN 0.322 nan 8.380 nan 0.000 0.490 81 I N -0.506 120.047 120.570 -0.028 0.000 2.454 81 I HA -0.047 4.399 4.170 0.460 0.000 0.254 81 I C 0.492 176.416 176.117 -0.322 0.000 1.156 81 I CA 1.299 62.468 61.300 -0.218 0.000 1.433 81 I CB -0.294 37.391 38.000 -0.526 0.000 1.082 81 I HN 0.258 nan 8.210 nan 0.000 0.432 82 F N 1.418 121.424 119.950 0.094 0.000 2.720 82 F HA 0.144 4.947 4.527 0.460 0.000 0.301 82 F C 2.613 178.468 175.800 0.093 0.000 1.103 82 F CA 0.510 58.558 58.000 0.081 0.000 1.291 82 F CB -0.123 38.907 39.000 0.051 0.000 1.086 82 F HN 0.082 nan 8.300 nan 0.000 0.592 83 S N -1.453 114.414 115.700 0.277 0.000 2.489 83 S HA -0.036 4.710 4.470 0.460 0.000 0.228 83 S C 0.962 175.668 174.600 0.177 0.000 0.995 83 S CA 0.209 58.543 58.200 0.224 0.000 0.934 83 S CB -1.156 62.262 63.200 0.363 0.000 0.771 83 S HN 0.131 nan 8.310 nan 0.000 0.522 84 T N 3.434 118.086 114.554 0.164 0.000 2.871 84 T HA 0.092 4.718 4.350 0.460 0.000 0.296 84 T C -0.238 174.514 174.700 0.087 0.000 0.998 84 T CA 0.301 62.467 62.100 0.109 0.000 1.162 84 T CB 0.304 69.224 68.868 0.087 0.000 0.947 84 T HN 0.435 nan 8.240 nan 0.000 0.536 85 Q N 2.663 122.483 119.800 0.035 0.000 2.398 85 Q HA 0.142 4.759 4.340 0.460 0.000 0.251 85 Q C 0.279 176.275 176.000 -0.006 0.000 0.999 85 Q CA -0.713 55.105 55.803 0.027 0.000 0.874 85 Q CB 1.106 29.814 28.738 -0.050 0.000 1.215 85 Q HN 0.540 nan 8.270 nan 0.000 0.470 86 D N 1.232 121.692 120.400 0.100 0.000 2.182 86 D HA -0.203 4.714 4.640 0.460 0.000 0.201 86 D C 1.667 177.994 176.300 0.046 0.000 0.986 86 D CA 1.401 55.446 54.000 0.075 0.000 0.847 86 D CB 0.146 41.016 40.800 0.116 0.000 0.942 86 D HN 0.647 nan 8.370 nan 0.000 0.467 87 H N -0.296 118.662 119.070 -0.186 0.000 2.495 87 H HA 0.268 5.101 4.556 0.462 0.000 0.287 87 H C 1.762 176.927 175.328 -0.272 0.000 1.033 87 H CA 1.047 56.929 56.048 -0.276 0.000 1.307 87 H CB -0.523 28.823 29.762 -0.694 0.000 1.401 87 H HN 0.070 nan 8.280 nan 0.000 0.555 88 A N 2.003 124.481 122.820 -0.570 0.000 1.854 88 A HA 0.096 4.693 4.320 0.460 0.000 0.214 88 A C 2.829 180.250 177.584 -0.273 0.000 1.192 88 A CA 1.890 53.663 52.037 -0.439 0.000 0.611 88 A CB -1.168 17.590 19.000 -0.404 0.000 0.832 88 A HN 0.541 nan 8.150 nan 0.000 0.442 89 A N 0.145 122.842 122.820 -0.206 0.000 1.869 89 A HA -0.019 4.577 4.320 0.460 0.000 0.218 89 A C 2.566 180.051 177.584 -0.164 0.000 1.203 89 A CA 2.947 54.881 52.037 -0.172 0.000 0.638 89 A CB -1.338 17.587 19.000 -0.125 0.000 0.831 89 A HN 1.236 nan 8.150 nan 0.000 0.450 90 A N -0.424 122.324 122.820 -0.120 0.000 1.892 90 A HA 0.070 4.666 4.320 0.460 0.000 0.218 90 A C 2.556 180.079 177.584 -0.103 0.000 1.188 90 A CA 2.645 54.630 52.037 -0.087 0.000 0.631 90 A CB -1.193 17.795 19.000 -0.020 0.000 0.822 90 A HN 1.294 nan 8.150 nan 0.000 0.447 91 A N -0.373 122.372 122.820 -0.125 0.000 1.940 91 A HA -0.086 4.510 4.320 0.460 0.000 0.219 91 A C 2.016 179.514 177.584 -0.144 0.000 1.176 91 A CA 1.703 53.665 52.037 -0.126 0.000 0.631 91 A CB -0.457 18.446 19.000 -0.162 0.000 0.814 91 A HN 0.432 nan 8.150 nan 0.000 0.446 92 I N -0.394 120.066 120.570 -0.183 0.000 2.353 92 I HA -0.156 4.290 4.170 0.460 0.000 0.248 92 I C 2.864 178.871 176.117 -0.183 0.000 1.119 92 I CA 1.338 62.516 61.300 -0.203 0.000 1.417 92 I CB -1.488 36.355 38.000 -0.262 0.000 1.078 92 I HN 0.362 nan 8.210 nan 0.000 0.421 93 A N 0.847 123.558 122.820 -0.182 0.000 1.929 93 A HA -0.028 4.568 4.320 0.460 0.000 0.216 93 A C 2.530 180.034 177.584 -0.134 0.000 1.176 93 A CA 1.464 53.392 52.037 -0.183 0.000 0.628 93 A CB -0.664 18.217 19.000 -0.199 0.000 0.816 93 A HN 0.373 nan 8.150 nan 0.000 0.444 94 A N -0.755 122.001 122.820 -0.108 0.000 2.084 94 A HA -0.024 4.573 4.320 0.460 0.000 0.221 94 A C 2.282 179.819 177.584 -0.077 0.000 1.161 94 A CA 2.601 54.590 52.037 -0.079 0.000 0.653 94 A CB -1.548 17.415 19.000 -0.061 0.000 0.802 94 A HN 0.713 nan 8.150 nan 0.000 0.457 95 T N -2.636 111.861 114.554 -0.094 0.000 2.915 95 T HA 0.299 4.926 4.350 0.460 0.000 0.269 95 T C 2.068 176.724 174.700 -0.074 0.000 1.071 95 T CA 2.128 64.177 62.100 -0.086 0.000 1.132 95 T CB -0.397 68.409 68.868 -0.105 0.000 0.878 95 T HN 1.727 nan 8.240 nan 0.000 0.479 96 G N -0.407 108.342 108.800 -0.085 0.000 2.201 96 G HA2 -0.128 4.108 3.960 0.460 0.000 0.212 96 G HA3 -0.128 4.108 3.960 0.460 0.000 0.212 96 G C 0.361 175.209 174.900 -0.087 0.000 0.994 96 G CA 0.284 45.339 45.100 -0.074 0.000 0.644 96 G HN 0.723 nan 8.290 nan 0.000 0.508 97 T N 3.636 118.124 114.554 -0.109 0.000 2.814 97 T HA 0.478 5.104 4.350 0.460 0.000 0.297 97 T C -2.307 172.276 174.700 -0.194 0.000 0.956 97 T CA -0.450 61.576 62.100 -0.123 0.000 1.123 97 T CB 1.508 70.299 68.868 -0.128 0.000 0.902 97 T HN 0.041 nan 8.240 nan 0.000 0.528 98 P HA 0.163 nan 4.420 nan 0.000 0.264 98 P C -0.794 176.226 177.300 -0.466 0.000 1.236 98 P CA -0.081 62.789 63.100 -0.383 0.000 0.811 98 P CB 0.261 31.828 31.700 -0.222 0.000 0.840 99 V N 5.650 125.161 119.914 -0.672 0.000 2.540 99 V HA 0.596 4.992 4.120 0.460 0.000 0.302 99 V C -1.403 174.165 176.094 -0.877 0.000 1.035 99 V CA -0.754 61.232 62.300 -0.523 0.000 0.873 99 V CB 0.783 32.428 31.823 -0.297 0.000 0.992 99 V HN 0.212 nan 8.190 nan 0.000 0.428 100 F N 6.147 125.954 119.950 -0.238 0.000 2.451 100 F HA 0.860 5.663 4.527 0.459 0.000 0.367 100 F C 0.322 175.850 175.800 -0.454 0.000 1.100 100 F CA -0.056 57.654 58.000 -0.482 0.000 1.171 100 F CB 1.517 40.207 39.000 -0.517 0.000 1.405 100 F HN 0.774 nan 8.300 nan 0.000 0.482 101 A N 1.625 124.295 122.820 -0.249 0.000 2.491 101 A HA 0.805 5.402 4.320 0.460 0.000 0.293 101 A C -1.792 175.765 177.584 -0.046 0.000 1.047 101 A CA -0.665 51.332 52.037 -0.066 0.000 0.735 101 A CB 1.172 20.177 19.000 0.009 0.000 1.281 101 A HN 0.281 nan 8.150 nan 0.000 0.398 102 V N 2.775 122.717 119.914 0.048 0.000 2.524 102 V HA 0.346 4.742 4.120 0.460 0.000 0.297 102 V C 0.201 176.339 176.094 0.073 0.000 1.035 102 V CA -0.865 61.469 62.300 0.057 0.000 0.867 102 V CB 1.799 33.669 31.823 0.077 0.000 1.004 102 V HN 0.972 nan 8.190 nan 0.000 0.426 103 K N 2.874 123.320 120.400 0.077 0.000 2.530 103 K HA 0.259 4.855 4.320 0.460 0.000 0.280 103 K C 1.227 177.867 176.600 0.067 0.000 1.004 103 K CA 1.496 57.840 56.287 0.097 0.000 1.071 103 K CB 0.130 32.714 32.500 0.140 0.000 0.876 103 K HN 1.316 nan 8.250 nan 0.000 0.487 104 G N 2.695 111.470 108.800 -0.043 0.000 2.159 104 G HA2 -0.311 3.925 3.960 0.460 0.000 0.256 104 G HA3 -0.311 3.925 3.960 0.460 0.000 0.256 104 G C -0.115 174.687 174.900 -0.163 0.000 0.977 104 G CA 0.588 45.618 45.100 -0.117 0.000 0.652 104 G HN 0.836 nan 8.290 nan 0.000 0.531 105 E N 0.068 120.190 120.200 -0.130 0.000 2.436 105 E HA 0.447 5.074 4.350 0.460 0.000 0.262 105 E C 0.729 177.243 176.600 -0.142 0.000 1.063 105 E CA 0.148 56.515 56.400 -0.055 0.000 0.944 105 E CB 0.066 29.811 29.700 0.076 0.000 0.950 105 E HN 0.781 nan 8.360 nan 0.000 0.444 106 T N 1.931 116.432 114.554 -0.089 0.000 2.855 106 T HA 0.028 4.655 4.350 0.460 0.000 0.314 106 T C 0.779 175.416 174.700 -0.105 0.000 1.077 106 T CA -0.290 61.758 62.100 -0.088 0.000 1.095 106 T CB 0.287 69.122 68.868 -0.054 0.000 0.987 106 T HN 0.483 nan 8.240 nan 0.000 0.546 107 L N 2.577 123.754 121.223 -0.076 0.000 2.017 107 L HA 0.078 4.694 4.340 0.460 0.000 0.208 107 L C 3.116 180.017 176.870 0.052 0.000 1.073 107 L CA 2.944 57.753 54.840 -0.051 0.000 0.745 107 L CB -1.069 40.982 42.059 -0.012 0.000 0.894 107 L HN 0.973 nan 8.230 nan 0.000 0.432 108 E N -0.245 119.980 120.200 0.042 0.000 2.049 108 E HA -0.319 4.307 4.350 0.460 0.000 0.198 108 E C 1.946 178.508 176.600 -0.063 0.000 1.007 108 E CA 1.968 58.398 56.400 0.049 0.000 0.809 108 E CB -1.049 28.657 29.700 0.010 0.000 0.749 108 E HN 0.764 nan 8.360 nan 0.000 0.450 109 E N -1.244 118.833 120.200 -0.206 0.000 2.110 109 E HA -0.129 4.498 4.350 0.460 0.000 0.193 109 E C 2.067 178.095 176.600 -0.954 0.000 0.988 109 E CA 1.079 57.133 56.400 -0.577 0.000 0.804 109 E CB -0.368 29.051 29.700 -0.469 0.000 0.745 109 E HN 0.745 nan 8.360 nan 0.000 0.458 110 Y N 0.322 120.256 120.300 -0.610 0.000 2.053 110 Y HA -0.299 4.527 4.550 0.460 0.000 0.277 110 Y C 1.821 177.411 175.900 -0.516 0.000 1.159 110 Y CA 1.899 59.671 58.100 -0.546 0.000 1.125 110 Y CB -0.486 37.667 38.460 -0.511 0.000 0.969 110 Y HN 0.041 nan 8.280 nan 0.000 0.492 111 W N -0.007 121.260 121.300 -0.056 0.000 2.374 111 W HA -0.153 4.783 4.660 0.460 0.000 0.288 111 W C 2.560 178.893 176.519 -0.310 0.000 1.218 111 W CA 1.566 58.822 57.345 -0.149 0.000 1.245 111 W CB -0.587 28.856 29.460 -0.029 0.000 1.126 111 W HN -0.042 nan 8.180 nan 0.000 0.545 112 T N -0.427 114.055 114.554 -0.121 0.000 2.833 112 T HA -0.217 4.409 4.350 0.460 0.000 0.269 112 T C 1.249 175.855 174.700 -0.157 0.000 1.054 112 T CA 1.316 63.319 62.100 -0.162 0.000 1.135 112 T CB -0.384 68.374 68.868 -0.182 0.000 0.869 112 T HN 0.053 nan 8.240 nan 0.000 0.466 113 Y N 1.426 121.555 120.300 -0.286 0.000 2.337 113 Y HA 0.045 4.871 4.550 0.460 0.000 0.293 113 Y C 2.868 178.488 175.900 -0.465 0.000 1.123 113 Y CA -0.009 57.853 58.100 -0.396 0.000 1.201 113 Y CB -1.522 36.786 38.460 -0.253 0.000 1.011 113 Y HN 0.164 nan 8.280 nan 0.000 0.545 114 T N -0.095 114.255 114.554 -0.340 0.000 2.746 114 T HA -0.216 4.410 4.350 0.460 0.000 0.267 114 T C 1.554 176.170 174.700 -0.139 0.000 1.039 114 T CA 1.834 63.748 62.100 -0.311 0.000 1.142 114 T CB -0.440 68.235 68.868 -0.321 0.000 0.866 114 T HN 0.408 nan 8.240 nan 0.000 0.444 115 D N 0.402 120.684 120.400 -0.196 0.000 2.097 115 D HA -0.125 4.791 4.640 0.460 0.000 0.195 115 D C 2.289 178.552 176.300 -0.062 0.000 0.989 115 D CA 0.834 54.814 54.000 -0.033 0.000 0.827 115 D CB -0.023 40.729 40.800 -0.080 0.000 0.966 115 D HN 0.075 nan 8.370 nan 0.000 0.456 116 Q N 0.189 119.790 119.800 -0.333 0.000 2.297 116 Q HA -0.108 4.508 4.340 0.460 0.000 0.208 116 Q C 2.371 178.022 176.000 -0.582 0.000 0.981 116 Q CA 0.806 56.236 55.803 -0.621 0.000 0.876 116 Q CB -0.419 27.518 28.738 -1.336 0.000 0.921 116 Q HN 0.723 nan 8.270 nan 0.000 0.446 117 I N -4.236 116.051 120.570 -0.470 0.000 3.001 117 I HA -0.069 4.377 4.170 0.460 0.000 0.268 117 I C 0.875 176.619 176.117 -0.622 0.000 1.267 117 I CA 0.817 61.808 61.300 -0.515 0.000 1.472 117 I CB -0.373 37.301 38.000 -0.544 0.000 1.089 117 I HN -0.143 nan 8.210 nan 0.000 0.468 118 F N 1.043 120.947 119.950 -0.076 0.000 2.695 118 F HA 0.266 5.069 4.527 0.460 0.000 0.303 118 F C 0.814 176.726 175.800 0.187 0.000 1.091 118 F CA -0.158 57.953 58.000 0.186 0.000 1.300 118 F CB 0.074 39.362 39.000 0.481 0.000 1.071 118 F HN 0.071 nan 8.300 nan 0.000 0.578 119 Q N 0.744 120.558 119.800 0.023 0.000 2.503 119 Q HA 0.113 4.729 4.340 0.460 0.000 0.227 119 Q C -1.283 174.692 176.000 -0.041 0.000 1.109 119 Q CA -0.157 55.673 55.803 0.045 0.000 0.922 119 Q CB -0.132 28.570 28.738 -0.061 0.000 1.249 119 Q HN 0.232 nan 8.270 nan 0.000 0.530 120 W N 3.043 124.404 121.300 0.101 0.000 2.313 120 W HA 0.289 5.224 4.660 0.459 0.000 0.328 120 W C -1.245 175.311 176.519 0.063 0.000 1.197 120 W CA -1.956 55.434 57.345 0.076 0.000 1.235 120 W CB 0.095 29.596 29.460 0.069 0.000 1.158 120 W HN 0.427 nan 8.180 nan 0.000 0.578 121 P HA -0.147 nan 4.420 nan 0.000 0.223 121 P C 0.881 178.268 177.300 0.145 0.000 1.151 121 P CA 1.431 64.625 63.100 0.158 0.000 0.787 121 P CB 0.189 31.963 31.700 0.123 0.000 0.788 122 D N -1.546 118.957 120.400 0.172 0.000 2.363 122 D HA 0.047 4.963 4.640 0.460 0.000 0.226 122 D C 1.552 177.916 176.300 0.106 0.000 1.020 122 D CA 0.812 54.880 54.000 0.113 0.000 0.892 122 D CB -1.014 39.836 40.800 0.083 0.000 0.900 122 D HN 0.214 nan 8.370 nan 0.000 0.531 123 G N -0.461 108.430 108.800 0.152 0.000 2.234 123 G HA2 -0.291 3.945 3.960 0.460 0.000 0.260 123 G HA3 -0.291 3.945 3.960 0.460 0.000 0.260 123 G C 0.198 175.179 174.900 0.135 0.000 0.987 123 G CA 0.304 45.489 45.100 0.140 0.000 0.625 123 G HN 0.387 nan 8.290 nan 0.000 0.532 124 E N 1.266 121.525 120.200 0.097 0.000 2.345 124 E HA 0.535 5.162 4.350 0.460 0.000 0.259 124 E C -2.040 174.574 176.600 0.023 0.000 1.117 124 E CA -1.765 54.650 56.400 0.024 0.000 0.913 124 E CB 0.619 30.288 29.700 -0.052 0.000 1.057 124 E HN 0.287 nan 8.360 nan 0.000 0.432 125 P HA 0.220 nan 4.420 nan 0.000 0.281 125 P C -0.516 176.683 177.300 -0.169 0.000 1.281 125 P CA -0.576 62.545 63.100 0.034 0.000 0.811 125 P CB 0.594 32.287 31.700 -0.011 0.000 1.154 126 S N 0.516 116.296 115.700 0.134 0.000 2.589 126 S HA 0.110 4.856 4.470 0.460 0.000 0.265 126 S C 0.911 175.498 174.600 -0.022 0.000 1.342 126 S CA -0.050 58.202 58.200 0.087 0.000 1.005 126 S CB -0.279 63.194 63.200 0.457 0.000 0.909 126 S HN 0.638 nan 8.310 nan 0.000 0.555 127 N N -0.870 117.802 118.700 -0.046 0.000 2.143 127 N HA 0.188 5.204 4.740 0.460 0.000 0.222 127 N C -0.739 174.775 175.510 0.007 0.000 1.264 127 N CA 0.013 53.055 53.050 -0.014 0.000 0.897 127 N CB 0.338 38.835 38.487 0.016 0.000 1.092 127 N HN 0.280 nan 8.380 nan 0.000 0.516 128 M N 0.949 120.556 119.600 0.012 0.000 2.371 128 M HA 0.430 5.186 4.480 0.460 0.000 0.287 128 M C -1.506 174.784 176.300 -0.018 0.000 1.149 128 M CA -0.447 54.842 55.300 -0.019 0.000 0.929 128 M CB 2.429 35.029 32.600 -0.000 0.000 1.683 128 M HN -0.058 nan 8.290 nan 0.000 0.470 129 I N 3.283 123.817 120.570 -0.060 0.000 2.378 129 I HA 0.466 4.912 4.170 0.460 0.000 0.291 129 I C -0.595 175.479 176.117 -0.071 0.000 0.992 129 I CA -0.694 60.580 61.300 -0.043 0.000 1.154 129 I CB 2.054 40.079 38.000 0.042 0.000 1.315 129 I HN 0.541 nan 8.210 nan 0.000 0.448 130 L N 6.336 127.482 121.223 -0.129 0.000 2.265 130 L HA 0.519 5.135 4.340 0.460 0.000 0.289 130 L C -1.282 175.472 176.870 -0.194 0.000 1.033 130 L CA -0.082 54.680 54.840 -0.131 0.000 0.814 130 L CB 0.790 42.780 42.059 -0.114 0.000 1.203 130 L HN 0.546 nan 8.230 nan 0.000 0.423 131 D N 3.350 123.695 120.400 -0.091 0.000 2.738 131 D HA 0.290 5.206 4.640 0.460 0.000 0.237 131 D C -1.617 174.667 176.300 -0.026 0.000 1.123 131 D CA -0.233 53.723 54.000 -0.073 0.000 0.856 131 D CB 2.408 43.212 40.800 0.007 0.000 1.552 131 D HN 0.484 nan 8.370 nan 0.000 0.480 132 D N 1.811 122.184 120.400 -0.045 0.000 2.471 132 D HA 0.452 5.369 4.640 0.460 0.000 0.245 132 D C 0.841 177.137 176.300 -0.007 0.000 1.116 132 D CA -0.183 53.812 54.000 -0.010 0.000 0.853 132 D CB 0.934 41.712 40.800 -0.036 0.000 1.123 132 D HN 0.657 nan 8.370 nan 0.000 0.540 133 G N 2.650 111.471 108.800 0.034 0.000 2.258 133 G HA2 -0.232 4.004 3.960 0.460 0.000 0.233 133 G HA3 -0.232 4.004 3.960 0.460 0.000 0.233 133 G C 1.022 175.974 174.900 0.087 0.000 1.006 133 G CA 0.332 45.465 45.100 0.054 0.000 0.620 133 G HN 1.521 nan 8.290 nan 0.000 0.511 134 G N -0.339 108.519 108.800 0.096 0.000 2.157 134 G HA2 -0.227 4.010 3.960 0.460 0.000 0.239 134 G HA3 -0.227 4.010 3.960 0.460 0.000 0.239 134 G C 0.662 175.686 174.900 0.207 0.000 0.982 134 G CA 1.077 46.262 45.100 0.142 0.000 0.650 134 G HN 0.650 nan 8.290 nan 0.000 0.527 135 D N 0.408 120.936 120.400 0.213 0.000 2.144 135 D HA 0.133 5.049 4.640 0.460 0.000 0.200 135 D C 2.606 179.169 176.300 0.438 0.000 0.978 135 D CA 1.533 55.745 54.000 0.353 0.000 0.833 135 D CB -0.339 40.599 40.800 0.230 0.000 0.961 135 D HN 0.673 nan 8.370 nan 0.000 0.470 136 A N 0.035 123.038 122.820 0.306 0.000 1.930 136 A HA -0.070 4.526 4.320 0.460 0.000 0.215 136 A C 2.323 180.203 177.584 0.493 0.000 1.176 136 A CA 1.455 53.746 52.037 0.422 0.000 0.632 136 A CB -0.559 18.588 19.000 0.245 0.000 0.819 136 A HN 0.147 nan 8.150 nan 0.000 0.445 137 T N -0.420 114.346 114.554 0.354 0.000 2.701 137 T HA -0.104 4.522 4.350 0.460 0.000 0.263 137 T C 2.453 177.338 174.700 0.308 0.000 1.040 137 T CA 2.748 65.049 62.100 0.334 0.000 1.147 137 T CB -0.517 68.524 68.868 0.289 0.000 0.865 137 T HN 0.588 nan 8.240 nan 0.000 0.426 138 M N 0.677 120.452 119.600 0.291 0.000 2.202 138 M HA -0.012 4.744 4.480 0.460 0.000 0.262 138 M C 2.221 178.670 176.300 0.247 0.000 1.063 138 M CA 2.015 57.458 55.300 0.239 0.000 1.097 138 M CB -2.100 30.643 32.600 0.239 0.000 1.382 138 M HN 0.533 nan 8.290 nan 0.000 0.413 139 Y N 0.907 121.349 120.300 0.237 0.000 2.145 139 Y HA -0.180 4.646 4.550 0.460 0.000 0.286 139 Y C 2.049 178.077 175.900 0.214 0.000 1.145 139 Y CA 2.440 60.673 58.100 0.223 0.000 1.148 139 Y CB -0.172 38.535 38.460 0.413 0.000 0.981 139 Y HN 0.358 nan 8.280 nan 0.000 0.507 140 I N 0.077 120.717 120.570 0.117 0.000 2.252 140 I HA -0.260 4.186 4.170 0.460 0.000 0.245 140 I C 2.421 178.545 176.117 0.011 0.000 1.102 140 I CA 1.239 62.559 61.300 0.033 0.000 1.385 140 I CB -1.458 36.503 38.000 -0.065 0.000 1.064 140 I HN 0.331 nan 8.210 nan 0.000 0.414 141 L N -0.145 121.095 121.223 0.028 0.000 2.072 141 L HA -0.137 4.480 4.340 0.460 0.000 0.205 141 L C 2.574 179.373 176.870 -0.118 0.000 1.079 141 L CA 1.170 55.994 54.840 -0.027 0.000 0.752 141 L CB -0.378 41.682 42.059 0.003 0.000 0.906 141 L HN 0.117 nan 8.230 nan 0.000 0.436 142 I N -0.009 120.478 120.570 -0.140 0.000 2.202 142 I HA -0.191 4.255 4.170 0.460 0.000 0.242 142 I C 2.633 178.492 176.117 -0.431 0.000 1.091 142 I CA 1.409 62.577 61.300 -0.219 0.000 1.368 142 I CB -0.746 37.172 38.000 -0.137 0.000 1.058 142 I HN 0.261 nan 8.210 nan 0.000 0.410 143 G N 0.452 108.804 108.800 -0.747 0.000 2.442 143 G HA2 -0.267 3.969 3.960 0.460 0.000 0.219 143 G HA3 -0.267 3.969 3.960 0.460 0.000 0.219 143 G C 1.786 176.235 174.900 -0.750 0.000 1.141 143 G CA 0.894 45.113 45.100 -1.468 0.000 0.763 143 G HN 0.506 nan 8.290 nan 0.000 0.554 144 A N 0.495 123.105 122.820 -0.350 0.000 1.970 144 A HA 0.136 4.732 4.320 0.460 0.000 0.216 144 A C 2.417 179.916 177.584 -0.142 0.000 1.170 144 A CA 1.116 53.079 52.037 -0.123 0.000 0.645 144 A CB -0.243 18.727 19.000 -0.050 0.000 0.816 144 A HN 0.346 nan 8.150 nan 0.000 0.447 145 R N -0.274 120.118 120.500 -0.180 0.000 2.096 145 R HA -0.067 4.550 4.340 0.460 0.000 0.235 145 R C 2.370 178.564 176.300 -0.176 0.000 1.127 145 R CA 1.168 57.173 56.100 -0.158 0.000 0.968 145 R CB -0.397 29.809 30.300 -0.157 0.000 0.861 145 R HN 0.495 nan 8.270 nan 0.000 0.440 146 A N 1.360 124.034 122.820 -0.244 0.000 1.929 146 A HA -0.136 4.460 4.320 0.460 0.000 0.216 146 A C 1.776 179.265 177.584 -0.159 0.000 1.176 146 A CA 1.054 52.950 52.037 -0.236 0.000 0.628 146 A CB -0.177 18.624 19.000 -0.331 0.000 0.816 146 A HN 0.271 nan 8.150 nan 0.000 0.444 147 E N -0.400 119.719 120.200 -0.134 0.000 2.418 147 E HA 0.041 4.667 4.350 0.460 0.000 0.197 147 E C 1.668 178.239 176.600 -0.048 0.000 1.026 147 E CA 0.529 56.897 56.400 -0.053 0.000 0.862 147 E CB -0.105 29.606 29.700 0.017 0.000 0.799 147 E HN 0.604 nan 8.360 nan 0.000 0.518 148 A N -0.041 122.738 122.820 -0.068 0.000 2.275 148 A HA 0.328 4.924 4.320 0.460 0.000 0.212 148 A C 1.617 179.165 177.584 -0.061 0.000 1.201 148 A CA 0.689 52.692 52.037 -0.057 0.000 0.843 148 A CB 0.089 19.053 19.000 -0.060 0.000 0.873 148 A HN 0.296 nan 8.150 nan 0.000 0.492 149 G N -0.687 108.068 108.800 -0.074 0.000 2.176 149 G HA2 -0.205 4.031 3.960 0.460 0.000 0.232 149 G HA3 -0.205 4.031 3.960 0.460 0.000 0.232 149 G C -0.052 174.799 174.900 -0.081 0.000 0.986 149 G CA 0.179 45.236 45.100 -0.071 0.000 0.643 149 G HN 0.551 nan 8.290 nan 0.000 0.522 150 E N 0.614 120.757 120.200 -0.095 0.000 2.398 150 E HA 0.367 4.994 4.350 0.460 0.000 0.263 150 E C -0.195 176.332 176.600 -0.122 0.000 1.046 150 E CA -0.068 56.273 56.400 -0.099 0.000 0.908 150 E CB 0.591 30.230 29.700 -0.101 0.000 0.963 150 E HN 0.193 nan 8.360 nan 0.000 0.431 151 D N 2.661 122.996 120.400 -0.108 0.000 2.453 151 D HA 0.045 4.961 4.640 0.460 0.000 0.223 151 D C 0.038 176.247 176.300 -0.152 0.000 1.183 151 D CA -0.173 53.754 54.000 -0.123 0.000 0.933 151 D CB 0.327 41.075 40.800 -0.086 0.000 1.038 151 D HN 0.220 nan 8.370 nan 0.000 0.513 152 V N 1.240 121.010 119.914 -0.240 0.000 3.398 152 V HA 0.258 4.655 4.120 0.460 0.000 0.298 152 V C 1.048 176.753 176.094 -0.647 0.000 1.496 152 V CA -0.123 61.991 62.300 -0.310 0.000 1.044 152 V CB -0.313 31.339 31.823 -0.284 0.000 0.880 152 V HN 0.406 nan 8.190 nan 0.000 0.443 153 L N 1.163 121.993 121.223 -0.655 0.000 2.857 153 L HA 0.650 5.267 4.340 0.460 0.000 0.249 153 L C 1.150 177.794 176.870 -0.377 0.000 1.172 153 L CA 0.796 55.019 54.840 -1.028 0.000 0.980 153 L CB -0.019 41.626 42.059 -0.690 0.000 1.299 153 L HN 0.491 nan 8.230 nan 0.000 0.535 154 S N -0.191 115.399 115.700 -0.183 0.000 2.681 154 S HA 0.483 5.229 4.470 0.460 0.000 0.299 154 S C 0.814 175.468 174.600 0.089 0.000 1.113 154 S CA -0.520 57.676 58.200 -0.007 0.000 1.013 154 S CB 0.760 63.939 63.200 -0.034 0.000 1.076 154 S HN 0.228 nan 8.310 nan 0.000 0.534 155 N N 0.830 119.587 118.700 0.096 0.000 2.746 155 N HA -0.080 4.937 4.740 0.460 0.000 0.250 155 N C -2.583 173.011 175.510 0.141 0.000 1.055 155 N CA 0.468 53.573 53.050 0.092 0.000 0.699 155 N CB -1.002 37.519 38.487 0.057 0.000 0.919 155 N HN 0.583 nan 8.380 nan 0.000 0.548 156 P HA 0.112 nan 4.420 nan 0.000 0.267 156 P C 0.998 178.277 177.300 -0.034 0.000 1.209 156 P CA 0.577 63.683 63.100 0.009 0.000 0.763 156 P CB 0.427 32.069 31.700 -0.097 0.000 0.816 157 Q N 2.129 121.898 119.800 -0.052 0.000 2.119 157 Q HA 0.101 4.717 4.340 0.460 0.000 0.201 157 Q C 1.463 177.433 176.000 -0.050 0.000 0.972 157 Q CA 1.829 57.611 55.803 -0.035 0.000 0.847 157 Q CB -0.818 27.907 28.738 -0.022 0.000 0.903 157 Q HN 0.777 nan 8.270 nan 0.000 0.433 158 S N -1.732 113.914 115.700 -0.090 0.000 2.599 158 S HA 0.604 5.350 4.470 0.460 0.000 0.287 158 S C 0.905 175.448 174.600 -0.095 0.000 1.105 158 S CA 0.302 58.458 58.200 -0.074 0.000 0.899 158 S CB 0.813 63.978 63.200 -0.058 0.000 1.100 158 S HN 0.672 nan 8.310 nan 0.000 0.482 159 E N -0.143 120.020 120.200 -0.061 0.000 2.268 159 E HA 0.140 4.766 4.350 0.460 0.000 0.195 159 E C 1.713 178.278 176.600 -0.059 0.000 0.995 159 E CA 1.839 58.206 56.400 -0.055 0.000 0.836 159 E CB -1.369 28.313 29.700 -0.029 0.000 0.763 159 E HN 1.031 nan 8.360 nan 0.000 0.491 160 E N 0.407 120.577 120.200 -0.050 0.000 2.208 160 E HA -0.102 4.525 4.350 0.460 0.000 0.193 160 E C 1.809 178.364 176.600 -0.076 0.000 0.988 160 E CA 1.235 57.626 56.400 -0.015 0.000 0.828 160 E CB -0.411 29.294 29.700 0.009 0.000 0.763 160 E HN 0.764 nan 8.360 nan 0.000 0.478 161 E N -0.440 119.637 120.200 -0.204 0.000 2.158 161 E HA -0.074 4.552 4.350 0.460 0.000 0.191 161 E C 2.462 178.684 176.600 -0.630 0.000 0.982 161 E CA 1.203 57.316 56.400 -0.478 0.000 0.823 161 E CB 0.019 29.386 29.700 -0.556 0.000 0.766 161 E HN 0.576 nan 8.360 nan 0.000 0.468 162 E N 0.205 120.194 120.200 -0.352 0.000 2.118 162 E HA -0.161 4.465 4.350 0.460 0.000 0.195 162 E C 2.000 178.516 176.600 -0.141 0.000 0.992 162 E CA 1.506 57.785 56.400 -0.201 0.000 0.804 162 E CB -0.983 28.666 29.700 -0.085 0.000 0.741 162 E HN 0.199 nan 8.360 nan 0.000 0.458 163 V N 0.416 120.252 119.914 -0.130 0.000 2.295 163 V HA -0.216 4.180 4.120 0.460 0.000 0.246 163 V C 2.626 178.574 176.094 -0.243 0.000 1.049 163 V CA 1.738 63.997 62.300 -0.069 0.000 1.024 163 V CB -0.671 31.202 31.823 0.084 0.000 0.648 163 V HN 0.569 nan 8.190 nan 0.000 0.447 164 L N -0.225 120.664 121.223 -0.556 0.000 1.956 164 L HA -0.185 4.431 4.340 0.460 0.000 0.216 164 L C 2.349 179.088 176.870 -0.218 0.000 1.073 164 L CA 2.307 56.626 54.840 -0.868 0.000 0.762 164 L CB -0.833 40.678 42.059 -0.914 0.000 0.889 164 L HN 0.203 nan 8.230 nan 0.000 0.433 165 F N 0.502 120.296 119.950 -0.259 0.000 2.095 165 F HA -0.185 4.618 4.527 0.460 0.000 0.298 165 F C 2.703 178.440 175.800 -0.105 0.000 1.104 165 F CA 0.926 58.828 58.000 -0.164 0.000 1.232 165 F CB -1.933 36.991 39.000 -0.127 0.000 0.987 165 F HN 0.292 nan 8.300 nan 0.000 0.475 166 A N -0.441 122.442 122.820 0.106 0.000 1.948 166 A HA -0.290 4.307 4.320 0.460 0.000 0.220 166 A C 2.140 179.760 177.584 0.060 0.000 1.177 166 A CA 2.079 54.150 52.037 0.057 0.000 0.636 166 A CB -0.874 18.144 19.000 0.030 0.000 0.815 166 A HN 0.392 nan 8.150 nan 0.000 0.449 167 Q N -0.212 119.621 119.800 0.056 0.000 2.311 167 Q HA 0.084 4.700 4.340 0.460 0.000 0.203 167 Q C 1.559 177.709 176.000 0.250 0.000 0.954 167 Q CA 1.321 57.193 55.803 0.115 0.000 0.885 167 Q CB -0.385 28.403 28.738 0.084 0.000 0.963 167 Q HN 0.714 nan 8.270 nan 0.000 0.471 168 I N -0.489 120.212 120.570 0.219 0.000 2.480 168 I HA -0.139 4.308 4.170 0.460 0.000 0.251 168 I C 1.887 178.092 176.117 0.147 0.000 1.124 168 I CA 0.714 62.141 61.300 0.211 0.000 1.444 168 I CB -0.118 37.799 38.000 -0.137 0.000 1.098 168 I HN 0.106 nan 8.210 nan 0.000 0.428 169 K N 1.484 121.923 120.400 0.064 0.000 2.097 169 K HA -0.149 4.448 4.320 0.460 0.000 0.205 169 K C 2.572 179.212 176.600 0.065 0.000 1.050 169 K CA 1.644 57.956 56.287 0.043 0.000 0.938 169 K CB -0.300 32.208 32.500 0.013 0.000 0.718 169 K HN 0.255 nan 8.250 nan 0.000 0.442 170 K N 1.743 122.185 120.400 0.071 0.000 2.020 170 K HA -0.211 4.385 4.320 0.460 0.000 0.212 170 K C 2.063 178.691 176.600 0.047 0.000 1.050 170 K CA 2.057 58.375 56.287 0.052 0.000 0.929 170 K CB -0.686 31.842 32.500 0.047 0.000 0.714 170 K HN 0.036 nan 8.250 nan 0.000 0.443 171 R N 0.047 120.595 120.500 0.079 0.000 2.075 171 R HA 0.120 4.736 4.340 0.460 0.000 0.232 171 R C 2.388 178.711 176.300 0.039 0.000 1.126 171 R CA 2.067 58.162 56.100 -0.008 0.000 0.963 171 R CB -0.583 29.669 30.300 -0.080 0.000 0.858 171 R HN 0.605 nan 8.270 nan 0.000 0.435 172 M N -0.374 119.343 119.600 0.196 0.000 2.065 172 M HA -0.166 4.591 4.480 0.460 0.000 0.259 172 M C 2.212 178.563 176.300 0.085 0.000 1.071 172 M CA 2.243 57.655 55.300 0.187 0.000 1.109 172 M CB -0.438 32.258 32.600 0.161 0.000 1.313 172 M HN 0.334 nan 8.290 nan 0.000 0.408 173 A N 0.114 122.967 122.820 0.056 0.000 1.917 173 A HA -0.160 4.436 4.320 0.460 0.000 0.219 173 A C 2.287 179.884 177.584 0.021 0.000 1.182 173 A CA 2.212 54.268 52.037 0.032 0.000 0.633 173 A CB -1.067 17.947 19.000 0.023 0.000 0.819 173 A HN 0.571 nan 8.150 nan 0.000 0.448 174 A N -0.935 121.891 122.820 0.010 0.000 1.873 174 A HA 0.126 4.723 4.320 0.460 0.000 0.215 174 A C 1.431 179.012 177.584 -0.006 0.000 1.186 174 A CA 1.894 53.926 52.037 -0.008 0.000 0.616 174 A CB -0.679 18.300 19.000 -0.033 0.000 0.823 174 A HN 0.916 nan 8.150 nan 0.000 0.442 175 T N -1.852 112.699 114.554 -0.006 0.000 3.133 175 T HA 0.533 5.159 4.350 0.460 0.000 0.368 175 T C -3.157 171.584 174.700 0.069 0.000 1.190 175 T CA -1.807 60.307 62.100 0.023 0.000 1.282 175 T CB 1.267 70.142 68.868 0.012 0.000 1.042 175 T HN -0.039 nan 8.240 nan 0.000 0.536 176 P HA 0.295 nan 4.420 nan 0.000 0.264 176 P C 1.317 178.669 177.300 0.087 0.000 1.183 176 P CA 1.281 64.426 63.100 0.076 0.000 0.763 176 P CB 0.221 31.950 31.700 0.048 0.000 0.807 177 G N 2.565 111.426 108.800 0.103 0.000 2.199 177 G HA2 -0.384 3.853 3.960 0.460 0.000 0.254 177 G HA3 -0.384 3.853 3.960 0.460 0.000 0.254 177 G C 0.810 175.751 174.900 0.069 0.000 0.982 177 G CA 0.276 45.422 45.100 0.076 0.000 0.632 177 G HN 0.532 nan 8.290 nan 0.000 0.529 178 F N 0.989 120.902 119.950 -0.062 0.000 2.087 178 F HA 0.017 4.820 4.527 0.460 0.000 0.299 178 F C 2.193 177.864 175.800 -0.215 0.000 1.100 178 F CA 2.668 60.558 58.000 -0.184 0.000 1.226 178 F CB -0.353 38.433 39.000 -0.357 0.000 0.983 178 F HN 0.157 nan 8.300 nan 0.000 0.479 179 F N 0.312 120.160 119.950 -0.170 0.000 2.163 179 F HA -0.094 4.709 4.527 0.460 0.000 0.297 179 F C 2.610 178.233 175.800 -0.296 0.000 1.094 179 F CA 1.771 59.565 58.000 -0.343 0.000 1.290 179 F CB -1.315 37.601 39.000 -0.140 0.000 1.017 179 F HN -0.133 nan 8.300 nan 0.000 0.483 180 T N -0.064 114.495 114.554 0.009 0.000 2.708 180 T HA -0.241 4.386 4.350 0.460 0.000 0.266 180 T C 2.064 176.720 174.700 -0.074 0.000 1.037 180 T CA 1.581 63.665 62.100 -0.026 0.000 1.146 180 T CB -0.268 68.596 68.868 -0.006 0.000 0.865 180 T HN 0.137 nan 8.240 nan 0.000 0.435 181 K N 0.421 120.755 120.400 -0.110 0.000 2.148 181 K HA -0.154 4.442 4.320 0.460 0.000 0.204 181 K C 2.424 178.917 176.600 -0.178 0.000 1.050 181 K CA 1.243 57.458 56.287 -0.119 0.000 0.942 181 K CB -0.049 32.392 32.500 -0.098 0.000 0.724 181 K HN 0.149 nan 8.250 nan 0.000 0.446 182 Q N 1.261 120.850 119.800 -0.352 0.000 2.083 182 Q HA -0.132 4.484 4.340 0.460 0.000 0.198 182 Q C 2.015 177.925 176.000 -0.149 0.000 0.969 182 Q CA 1.565 57.147 55.803 -0.368 0.000 0.838 182 Q CB -0.182 28.062 28.738 -0.824 0.000 0.900 182 Q HN 0.280 nan 8.270 nan 0.000 0.436 183 R N -0.511 119.937 120.500 -0.088 0.000 2.103 183 R HA -0.147 4.469 4.340 0.460 0.000 0.242 183 R C 1.847 178.234 176.300 0.144 0.000 1.142 183 R CA 1.583 57.742 56.100 0.098 0.000 0.960 183 R CB -0.506 29.823 30.300 0.049 0.000 0.858 183 R HN 0.316 nan 8.270 nan 0.000 0.439 184 A N -0.170 122.676 122.820 0.042 0.000 2.119 184 A HA 0.071 4.668 4.320 0.460 0.000 0.217 184 A C 1.981 179.590 177.584 0.041 0.000 1.153 184 A CA 1.293 53.358 52.037 0.046 0.000 0.692 184 A CB -0.236 18.766 19.000 0.003 0.000 0.799 184 A HN 0.541 nan 8.150 nan 0.000 0.458 185 A N -0.957 121.870 122.820 0.012 0.000 2.252 185 A HA 0.389 4.986 4.320 0.460 0.000 0.213 185 A C 0.560 178.124 177.584 -0.032 0.000 1.188 185 A CA -0.158 51.869 52.037 -0.017 0.000 0.863 185 A CB 0.057 19.031 19.000 -0.043 0.000 0.893 185 A HN 0.267 nan 8.150 nan 0.000 0.495 186 I N 1.522 122.061 120.570 -0.052 0.000 2.587 186 I HA 0.053 4.499 4.170 0.460 0.000 0.284 186 I C 0.996 176.988 176.117 -0.207 0.000 1.134 186 I CA 0.399 61.553 61.300 -0.244 0.000 1.410 186 I CB 0.529 38.103 38.000 -0.710 0.000 1.392 186 I HN 0.291 nan 8.210 nan 0.000 0.545 187 K N 4.206 124.516 120.400 -0.149 0.000 2.076 187 K HA 0.124 4.720 4.320 0.460 0.000 0.204 187 K C 0.959 177.496 176.600 -0.104 0.000 1.051 187 K CA 0.793 57.029 56.287 -0.084 0.000 0.949 187 K CB 0.160 32.623 32.500 -0.062 0.000 0.726 187 K HN 0.857 nan 8.250 nan 0.000 0.443 188 G N -0.126 108.554 108.800 -0.199 0.000 2.576 188 G HA2 0.434 4.670 3.960 0.460 0.000 0.290 188 G HA3 0.434 4.670 3.960 0.460 0.000 0.290 188 G C -1.731 173.031 174.900 -0.229 0.000 1.442 188 G CA -0.636 44.355 45.100 -0.182 0.000 0.792 188 G HN 0.023 nan 8.290 nan 0.000 0.491 189 V N -1.826 118.013 119.914 -0.125 0.000 2.876 189 V HA 0.957 5.353 4.120 0.460 0.000 0.312 189 V C -0.029 176.065 176.094 0.001 0.000 1.085 189 V CA -0.228 62.035 62.300 -0.061 0.000 0.945 189 V CB 1.491 33.316 31.823 0.003 0.000 1.017 189 V HN 1.450 nan 8.190 nan 0.000 0.428 190 T N 0.239 114.792 114.554 -0.001 0.000 2.859 190 T HA 0.795 5.421 4.350 0.460 0.000 0.281 190 T C -0.629 174.094 174.700 0.038 0.000 1.005 190 T CA -0.371 61.740 62.100 0.018 0.000 1.025 190 T CB 1.891 70.762 68.868 0.006 0.000 0.977 190 T HN 1.082 nan 8.240 nan 0.000 0.458 191 E N 0.598 120.832 120.200 0.057 0.000 2.234 191 E HA 0.330 4.957 4.350 0.460 0.000 0.266 191 E C 0.301 176.943 176.600 0.069 0.000 0.877 191 E CA -0.707 55.732 56.400 0.065 0.000 0.758 191 E CB 2.099 31.847 29.700 0.079 0.000 1.170 191 E HN 0.864 nan 8.360 nan 0.000 0.415 192 E N 2.372 122.616 120.200 0.072 0.000 2.340 192 E HA 0.079 4.705 4.350 0.460 0.000 0.194 192 E C 0.079 176.723 176.600 0.073 0.000 0.996 192 E CA 0.634 57.088 56.400 0.090 0.000 0.869 192 E CB 0.365 30.140 29.700 0.125 0.000 0.835 192 E HN 0.532 nan 8.360 nan 0.000 0.493 193 T N -2.670 111.918 114.554 0.057 0.000 2.916 193 T HA 0.226 4.852 4.350 0.460 0.000 0.292 193 T C 1.184 175.901 174.700 0.028 0.000 1.055 193 T CA -0.102 62.018 62.100 0.033 0.000 1.009 193 T CB 1.251 70.130 68.868 0.018 0.000 1.118 193 T HN 0.045 nan 8.240 nan 0.000 0.497 194 T N -0.551 114.007 114.554 0.007 0.000 2.833 194 T HA -0.109 4.517 4.350 0.460 0.000 0.269 194 T C 1.746 176.461 174.700 0.025 0.000 1.054 194 T CA 1.942 64.051 62.100 0.014 0.000 1.135 194 T CB -1.301 67.566 68.868 -0.002 0.000 0.869 194 T HN 0.693 nan 8.240 nan 0.000 0.466 195 T N 1.083 115.649 114.554 0.020 0.000 2.812 195 T HA 0.159 4.785 4.350 0.460 0.000 0.264 195 T C 2.309 177.043 174.700 0.057 0.000 1.042 195 T CA 1.008 63.132 62.100 0.040 0.000 1.140 195 T CB -1.061 67.834 68.868 0.044 0.000 0.870 195 T HN 0.575 nan 8.240 nan 0.000 0.445 196 G N 1.328 110.164 108.800 0.060 0.000 2.440 196 G HA2 -0.176 4.061 3.960 0.460 0.000 0.218 196 G HA3 -0.176 4.061 3.960 0.460 0.000 0.218 196 G C 1.677 176.623 174.900 0.077 0.000 1.154 196 G CA 0.890 46.036 45.100 0.076 0.000 0.767 196 G HN 0.433 nan 8.290 nan 0.000 0.552 197 V N 1.916 121.870 119.914 0.066 0.000 2.358 197 V HA -0.156 4.241 4.120 0.460 0.000 0.246 197 V C 3.214 179.344 176.094 0.060 0.000 1.047 197 V CA 2.276 64.616 62.300 0.067 0.000 1.035 197 V CB -1.424 30.435 31.823 0.061 0.000 0.658 197 V HN 0.678 nan 8.190 nan 0.000 0.452 198 N N 0.347 119.079 118.700 0.053 0.000 2.036 198 N HA -0.304 4.712 4.740 0.460 0.000 0.195 198 N C 2.070 177.609 175.510 0.050 0.000 1.037 198 N CA 2.254 55.332 53.050 0.047 0.000 0.855 198 N CB -0.621 37.892 38.487 0.044 0.000 1.033 198 N HN 0.580 nan 8.380 nan 0.000 0.423 199 R N -0.259 120.277 120.500 0.060 0.000 2.083 199 R HA 0.074 4.691 4.340 0.460 0.000 0.237 199 R C 2.425 178.760 176.300 0.058 0.000 1.137 199 R CA 1.391 57.529 56.100 0.064 0.000 0.951 199 R CB -0.449 29.901 30.300 0.084 0.000 0.851 199 R HN 0.462 nan 8.270 nan 0.000 0.434 200 L N -0.804 120.460 121.223 0.068 0.000 2.017 200 L HA -0.247 4.369 4.340 0.460 0.000 0.208 200 L C 3.093 179.988 176.870 0.043 0.000 1.073 200 L CA 2.021 56.901 54.840 0.066 0.000 0.745 200 L CB -0.961 41.154 42.059 0.094 0.000 0.894 200 L HN 0.426 nan 8.230 nan 0.000 0.432 201 Y N -0.202 120.123 120.300 0.042 0.000 2.315 201 Y HA -0.269 4.557 4.550 0.460 0.000 0.288 201 Y C 2.411 178.320 175.900 0.016 0.000 1.154 201 Y CA 2.028 60.144 58.100 0.027 0.000 1.229 201 Y CB -0.937 37.539 38.460 0.027 0.000 0.980 201 Y HN 0.336 nan 8.280 nan 0.000 0.540 202 Q N -0.526 119.286 119.800 0.020 0.000 2.083 202 Q HA -0.049 4.568 4.340 0.460 0.000 0.198 202 Q C 2.347 178.349 176.000 0.003 0.000 0.969 202 Q CA 1.229 57.039 55.803 0.013 0.000 0.838 202 Q CB -0.109 28.641 28.738 0.020 0.000 0.900 202 Q HN 0.757 nan 8.270 nan 0.000 0.436 203 L N 0.519 121.744 121.223 0.003 0.000 2.013 203 L HA -0.295 4.321 4.340 0.460 0.000 0.212 203 L C 2.664 179.518 176.870 -0.027 0.000 1.073 203 L CA 1.766 56.595 54.840 -0.018 0.000 0.753 203 L CB -0.654 41.388 42.059 -0.028 0.000 0.890 203 L HN 0.406 nan 8.230 nan 0.000 0.432 204 Q N 0.753 120.544 119.800 -0.016 0.000 2.096 204 Q HA -0.252 4.365 4.340 0.460 0.000 0.204 204 Q C 2.428 178.418 176.000 -0.016 0.000 0.982 204 Q CA 2.620 58.413 55.803 -0.017 0.000 0.850 204 Q CB -0.030 28.706 28.738 -0.005 0.000 0.901 204 Q HN 0.442 nan 8.270 nan 0.000 0.422 205 K N 0.258 120.651 120.400 -0.011 0.000 2.209 205 K HA -0.077 4.519 4.320 0.460 0.000 0.204 205 K C 1.788 178.380 176.600 -0.013 0.000 1.048 205 K CA 1.784 58.065 56.287 -0.010 0.000 0.940 205 K CB -0.982 31.515 32.500 -0.005 0.000 0.729 205 K HN 0.429 nan 8.250 nan 0.000 0.451 206 K N 0.078 120.468 120.400 -0.017 0.000 2.576 206 K HA 0.491 5.087 4.320 0.460 0.000 0.209 206 K C 1.301 177.883 176.600 -0.029 0.000 1.049 206 K CA 0.438 56.712 56.287 -0.021 0.000 1.140 206 K CB -1.089 31.399 32.500 -0.019 0.000 0.871 206 K HN 1.312 nan 8.250 nan 0.000 0.479 207 G N 0.635 109.417 108.800 -0.030 0.000 2.379 207 G HA2 -0.247 3.989 3.960 0.460 0.000 0.297 207 G HA3 -0.247 3.989 3.960 0.460 0.000 0.297 207 G C 0.737 175.603 174.900 -0.057 0.000 1.004 207 G CA 0.698 45.775 45.100 -0.038 0.000 0.921 207 G HN 0.553 nan 8.290 nan 0.000 0.511 208 L N -1.347 119.836 121.223 -0.067 0.000 2.693 208 L HA 0.348 4.965 4.340 0.460 0.000 0.235 208 L C 0.966 177.746 176.870 -0.149 0.000 1.127 208 L CA -0.435 54.349 54.840 -0.092 0.000 0.914 208 L CB 0.297 42.312 42.059 -0.072 0.000 1.193 208 L HN 0.274 nan 8.230 nan 0.000 0.502 209 L N 3.214 124.347 121.223 -0.150 0.000 2.268 209 L HA 0.342 4.958 4.340 0.460 0.000 0.289 209 L C -1.880 174.801 176.870 -0.316 0.000 1.064 209 L CA -1.505 53.191 54.840 -0.239 0.000 0.824 209 L CB 0.494 42.484 42.059 -0.115 0.000 1.202 209 L HN -0.170 nan 8.230 nan 0.000 0.433 210 P HA 0.194 nan 4.420 nan 0.000 0.266 210 P C -1.070 176.044 177.300 -0.310 0.000 1.381 210 P CA 0.189 63.029 63.100 -0.433 0.000 0.940 210 P CB -0.298 31.158 31.700 -0.407 0.000 1.435 211 F N -3.177 116.801 119.950 0.047 0.000 2.741 211 F HA 0.623 5.427 4.527 0.461 0.000 0.311 211 F C -3.057 172.790 175.800 0.079 0.000 1.149 211 F CA -3.090 54.942 58.000 0.053 0.000 0.930 211 F CB 0.325 39.346 39.000 0.037 0.000 1.312 211 F HN -0.430 nan 8.300 nan 0.000 0.450 212 P HA 0.300 nan 4.420 nan 0.000 0.269 212 P C -1.009 176.446 177.300 0.259 0.000 1.209 212 P CA 0.164 63.426 63.100 0.270 0.000 0.776 212 P CB 1.223 32.980 31.700 0.094 0.000 0.876 213 A N 3.846 126.815 122.820 0.248 0.000 2.371 213 A HA 0.599 5.195 4.320 0.460 0.000 0.311 213 A C -0.558 177.112 177.584 0.144 0.000 1.068 213 A CA -0.714 51.432 52.037 0.181 0.000 0.744 213 A CB 0.963 20.090 19.000 0.211 0.000 1.239 213 A HN 0.360 nan 8.150 nan 0.000 0.435 214 I N 2.843 123.448 120.570 0.058 0.000 2.304 214 I HA 0.147 4.593 4.170 0.460 0.000 0.291 214 I C 0.074 176.242 176.117 0.085 0.000 1.018 214 I CA -0.387 60.949 61.300 0.059 0.000 1.260 214 I CB 0.941 38.929 38.000 -0.020 0.000 1.390 214 I HN 0.734 nan 8.210 nan 0.000 0.475 215 N N 6.724 125.491 118.700 0.111 0.000 2.402 215 N HA 0.078 5.094 4.740 0.460 0.000 0.252 215 N C 0.491 176.051 175.510 0.083 0.000 1.118 215 N CA 0.083 53.190 53.050 0.095 0.000 0.945 215 N CB 1.217 39.763 38.487 0.098 0.000 1.147 215 N HN 0.376 nan 8.380 nan 0.000 0.495 216 V N 3.558 123.515 119.914 0.071 0.000 3.052 216 V HA -0.058 4.338 4.120 0.460 0.000 0.254 216 V C 1.993 178.125 176.094 0.064 0.000 1.100 216 V CA 0.698 63.037 62.300 0.065 0.000 1.112 216 V CB -0.683 31.181 31.823 0.068 0.000 0.738 216 V HN 0.684 nan 8.190 nan 0.000 0.469 217 N N 0.941 119.679 118.700 0.064 0.000 2.272 217 N HA -0.173 4.843 4.740 0.460 0.000 0.185 217 N C 1.194 176.736 175.510 0.052 0.000 1.014 217 N CA 1.487 54.570 53.050 0.055 0.000 0.870 217 N CB -0.072 38.444 38.487 0.048 0.000 0.975 217 N HN 0.407 nan 8.380 nan 0.000 0.433 218 D N -0.711 119.726 120.400 0.061 0.000 2.363 218 D HA 0.101 5.017 4.640 0.460 0.000 0.214 218 D C -0.325 176.016 176.300 0.068 0.000 1.093 218 D CA 0.072 54.111 54.000 0.066 0.000 0.837 218 D CB 0.106 40.953 40.800 0.078 0.000 0.948 218 D HN 0.069 nan 8.370 nan 0.000 0.507 219 S N 0.346 116.080 115.700 0.058 0.000 2.552 219 S HA -0.000 4.746 4.470 0.460 0.000 0.289 219 S C 1.953 176.568 174.600 0.025 0.000 1.304 219 S CA -0.454 57.772 58.200 0.043 0.000 1.063 219 S CB 1.912 65.131 63.200 0.032 0.000 0.848 219 S HN -0.049 nan 8.310 nan 0.000 0.499 220 V N 3.328 123.236 119.914 -0.010 0.000 2.287 220 V HA -0.196 4.200 4.120 0.460 0.000 0.248 220 V C 2.629 178.718 176.094 -0.009 0.000 1.053 220 V CA 2.274 64.532 62.300 -0.070 0.000 1.027 220 V CB -1.359 30.277 31.823 -0.311 0.000 0.646 220 V HN 1.086 nan 8.190 nan 0.000 0.447 221 T N -1.338 113.220 114.554 0.007 0.000 3.163 221 T HA -0.097 4.530 4.350 0.460 0.000 0.260 221 T C 1.452 176.202 174.700 0.083 0.000 1.156 221 T CA 1.355 63.499 62.100 0.074 0.000 1.072 221 T CB -0.068 68.779 68.868 -0.035 0.000 0.937 221 T HN 0.574 nan 8.240 nan 0.000 0.528 222 K N 1.455 121.895 120.400 0.067 0.000 2.380 222 K HA 0.226 4.822 4.320 0.460 0.000 0.200 222 K C 2.315 178.964 176.600 0.082 0.000 1.201 222 K CA 0.921 57.248 56.287 0.067 0.000 0.916 222 K CB -0.350 32.170 32.500 0.034 0.000 1.187 222 K HN 0.229 nan 8.250 nan 0.000 0.498 223 S N 0.892 116.622 115.700 0.050 0.000 2.368 223 S HA -0.083 4.663 4.470 0.460 0.000 0.224 223 S C 1.861 176.451 174.600 -0.017 0.000 1.029 223 S CA 0.900 59.113 58.200 0.022 0.000 0.988 223 S CB -0.335 62.873 63.200 0.013 0.000 0.838 223 S HN 0.328 nan 8.310 nan 0.000 0.462 224 K N -0.187 120.193 120.400 -0.033 0.000 2.097 224 K HA 0.056 4.652 4.320 0.460 0.000 0.205 224 K C 1.834 178.290 176.600 -0.239 0.000 1.050 224 K CA 1.268 57.442 56.287 -0.188 0.000 0.938 224 K CB -0.332 32.060 32.500 -0.180 0.000 0.718 224 K HN 0.404 nan 8.250 nan 0.000 0.442 225 F N 1.754 121.674 119.950 -0.050 0.000 2.128 225 F HA -0.165 4.643 4.527 0.468 0.000 0.295 225 F C 2.333 178.162 175.800 0.047 0.000 1.100 225 F CA 1.264 59.306 58.000 0.071 0.000 1.260 225 F CB -0.096 38.938 39.000 0.057 0.000 1.009 225 F HN 0.038 nan 8.300 nan 0.000 0.476 226 D N 0.221 120.758 120.400 0.228 0.000 2.098 226 D HA -0.184 4.732 4.640 0.460 0.000 0.207 226 D C 1.880 178.262 176.300 0.138 0.000 0.979 226 D CA 1.460 55.599 54.000 0.233 0.000 0.878 226 D CB -0.554 40.335 40.800 0.149 0.000 1.028 226 D HN 0.065 nan 8.370 nan 0.000 0.452 227 N N 0.855 119.586 118.700 0.051 0.000 2.049 227 N HA -0.200 4.816 4.740 0.460 0.000 0.198 227 N C 1.711 177.161 175.510 -0.099 0.000 1.030 227 N CA 1.190 54.236 53.050 -0.006 0.000 0.870 227 N CB -0.323 38.137 38.487 -0.044 0.000 1.045 227 N HN 0.323 nan 8.380 nan 0.000 0.434 228 K N -0.557 119.702 120.400 -0.235 0.000 2.102 228 K HA 0.012 4.608 4.320 0.460 0.000 0.206 228 K C 1.942 178.365 176.600 -0.295 0.000 1.031 228 K CA 0.408 56.490 56.287 -0.343 0.000 0.962 228 K CB -0.111 32.053 32.500 -0.560 0.000 0.811 228 K HN 0.020 nan 8.250 nan 0.000 0.453 229 Y N 0.583 120.738 120.300 -0.242 0.000 2.242 229 Y HA 0.006 4.830 4.550 0.458 0.000 0.291 229 Y C 2.377 178.118 175.900 -0.265 0.000 1.137 229 Y CA 1.071 58.998 58.100 -0.290 0.000 1.181 229 Y CB -1.151 37.004 38.460 -0.508 0.000 0.989 229 Y HN 0.252 nan 8.280 nan 0.000 0.527 230 G N -0.943 107.752 108.800 -0.174 0.000 2.433 230 G HA2 -0.241 3.995 3.960 0.460 0.000 0.216 230 G HA3 -0.241 3.995 3.960 0.460 0.000 0.216 230 G C 1.716 176.173 174.900 -0.738 0.000 1.186 230 G CA 1.341 46.089 45.100 -0.587 0.000 0.779 230 G HN 0.468 nan 8.290 nan 0.000 0.543 231 C N 0.229 119.257 119.300 -0.452 0.000 2.432 231 C HA 0.099 4.835 4.460 0.460 0.000 0.280 231 C C 2.698 177.615 174.990 -0.122 0.000 1.353 231 C CA 0.936 59.841 59.018 -0.188 0.000 1.766 231 C CB -0.643 27.067 27.740 -0.050 0.000 1.924 231 C HN 0.623 nan 8.230 nan 0.000 0.509 232 K N 1.290 121.623 120.400 -0.112 0.000 2.057 232 K HA -0.158 4.439 4.320 0.460 0.000 0.207 232 K C 1.918 178.486 176.600 -0.053 0.000 1.049 232 K CA 1.472 57.725 56.287 -0.056 0.000 0.931 232 K CB -0.130 32.364 32.500 -0.011 0.000 0.714 232 K HN 0.456 nan 8.250 nan 0.000 0.440 233 E N 0.021 120.174 120.200 -0.079 0.000 2.208 233 E HA -0.097 4.529 4.350 0.460 0.000 0.193 233 E C 1.799 178.377 176.600 -0.036 0.000 0.988 233 E CA 1.405 57.772 56.400 -0.055 0.000 0.828 233 E CB 0.288 29.955 29.700 -0.054 0.000 0.763 233 E HN 0.480 nan 8.360 nan 0.000 0.478 234 S N -0.477 115.194 115.700 -0.049 0.000 2.526 234 S HA 0.052 4.798 4.470 0.460 0.000 0.220 234 S C 1.724 176.335 174.600 0.019 0.000 1.017 234 S CA -0.323 57.881 58.200 0.006 0.000 0.930 234 S CB 0.183 63.419 63.200 0.060 0.000 0.856 234 S HN 0.067 nan 8.310 nan 0.000 0.497 235 L N 2.255 123.478 121.223 0.001 0.000 1.982 235 L HA 0.207 4.824 4.340 0.460 0.000 0.206 235 L C 2.382 179.254 176.870 0.004 0.000 1.078 235 L CA 1.750 56.593 54.840 0.006 0.000 0.749 235 L CB -0.942 41.112 42.059 -0.008 0.000 0.894 235 L HN 0.192 nan 8.230 nan 0.000 0.436 236 V N 0.373 120.286 119.914 -0.003 0.000 2.469 236 V HA -0.308 4.088 4.120 0.460 0.000 0.251 236 V C 2.346 178.443 176.094 0.004 0.000 1.064 236 V CA 1.948 64.247 62.300 -0.001 0.000 1.066 236 V CB -0.813 31.009 31.823 -0.003 0.000 0.667 236 V HN 0.620 nan 8.190 nan 0.000 0.461 237 D N 0.454 120.858 120.400 0.008 0.000 2.097 237 D HA -0.096 4.820 4.640 0.460 0.000 0.195 237 D C 2.227 178.538 176.300 0.018 0.000 0.989 237 D CA 1.632 55.641 54.000 0.014 0.000 0.827 237 D CB -0.526 40.285 40.800 0.019 0.000 0.966 237 D HN 0.342 nan 8.370 nan 0.000 0.456 238 G N 0.604 109.418 108.800 0.022 0.000 2.446 238 G HA2 -0.224 4.012 3.960 0.460 0.000 0.217 238 G HA3 -0.224 4.012 3.960 0.460 0.000 0.217 238 G C 1.908 176.818 174.900 0.015 0.000 1.168 238 G CA 0.892 46.006 45.100 0.023 0.000 0.771 238 G HN 0.403 nan 8.290 nan 0.000 0.551 239 I N -0.046 120.530 120.570 0.010 0.000 2.394 239 I HA -0.098 4.348 4.170 0.460 0.000 0.251 239 I C 3.023 179.143 176.117 0.004 0.000 1.136 239 I CA 0.652 61.954 61.300 0.004 0.000 1.425 239 I CB -0.193 37.807 38.000 -0.001 0.000 1.079 239 I HN 0.099 nan 8.210 nan 0.000 0.425 240 R N 0.824 121.328 120.500 0.006 0.000 2.062 240 R HA -0.072 4.544 4.340 0.460 0.000 0.231 240 R C 2.445 178.750 176.300 0.009 0.000 1.136 240 R CA 1.135 57.238 56.100 0.006 0.000 0.948 240 R CB -0.350 29.955 30.300 0.007 0.000 0.845 240 R HN 0.359 nan 8.270 nan 0.000 0.430 241 R N -0.101 120.406 120.500 0.012 0.000 2.127 241 R HA -0.095 4.522 4.340 0.460 0.000 0.238 241 R C 2.334 178.642 176.300 0.013 0.000 1.134 241 R CA 1.360 57.469 56.100 0.015 0.000 0.975 241 R CB -0.452 29.860 30.300 0.020 0.000 0.865 241 R HN 0.334 nan 8.270 nan 0.000 0.447 242 G N 0.027 108.833 108.800 0.011 0.000 2.396 242 G HA2 -0.219 4.017 3.960 0.460 0.000 0.214 242 G HA3 -0.219 4.017 3.960 0.460 0.000 0.214 242 G C 1.439 176.341 174.900 0.004 0.000 1.166 242 G CA 1.315 46.420 45.100 0.008 0.000 0.793 242 G HN 0.475 nan 8.290 nan 0.000 0.533 243 T N -4.250 110.305 114.554 0.002 0.000 2.969 243 T HA 0.154 4.780 4.350 0.460 0.000 0.258 243 T C 0.834 175.533 174.700 -0.001 0.000 0.962 243 T CA 0.885 62.984 62.100 -0.002 0.000 0.903 243 T CB 0.347 69.212 68.868 -0.006 0.000 1.177 243 T HN 0.186 nan 8.240 nan 0.000 0.511 244 D N 0.758 121.159 120.400 0.002 0.000 2.983 244 D HA -0.141 4.775 4.640 0.460 0.000 0.225 244 D C 0.336 176.636 176.300 -0.000 0.000 1.174 244 D CA 0.522 54.523 54.000 0.002 0.000 0.831 244 D CB -1.620 39.182 40.800 0.003 0.000 1.104 244 D HN 0.493 nan 8.370 nan 0.000 0.421 245 V N 0.650 120.563 119.914 -0.002 0.000 3.096 245 V HA 0.136 4.533 4.120 0.460 0.000 0.306 245 V C 0.721 176.814 176.094 -0.003 0.000 1.088 245 V CA 0.018 62.315 62.300 -0.004 0.000 1.129 245 V CB 1.427 33.246 31.823 -0.007 0.000 1.014 245 V HN 0.241 nan 8.190 nan 0.000 0.486 246 M N 6.308 125.906 119.600 -0.003 0.000 2.144 246 M HA 0.309 5.065 4.480 0.460 0.000 0.356 246 M C 0.349 176.648 176.300 -0.002 0.000 1.217 246 M CA -0.142 55.157 55.300 -0.002 0.000 1.087 246 M CB 1.401 34.000 32.600 -0.001 0.000 1.609 246 M HN 0.654 nan 8.290 nan 0.000 0.467 247 M N 3.207 122.806 119.600 -0.000 0.000 2.134 247 M HA 0.201 4.958 4.480 0.460 0.000 0.262 247 M C 1.037 177.339 176.300 0.003 0.000 1.076 247 M CA 0.810 56.110 55.300 0.000 0.000 1.143 247 M CB -1.442 31.159 32.600 0.002 0.000 1.346 247 M HN 0.878 nan 8.290 nan 0.000 0.421 248 A N 0.309 123.132 122.820 0.005 0.000 2.584 248 A HA 0.344 4.940 4.320 0.460 0.000 0.239 248 A C 1.423 179.009 177.584 0.004 0.000 1.043 248 A CA 1.061 53.102 52.037 0.006 0.000 0.756 248 A CB -0.742 18.262 19.000 0.006 0.000 0.963 248 A HN 0.913 nan 8.150 nan 0.000 0.511 249 G N 1.718 110.522 108.800 0.005 0.000 2.241 249 G HA2 -0.202 4.034 3.960 0.460 0.000 0.244 249 G HA3 -0.202 4.034 3.960 0.460 0.000 0.244 249 G C 0.318 175.218 174.900 0.001 0.000 0.998 249 G CA 0.514 45.616 45.100 0.003 0.000 0.621 249 G HN 0.775 nan 8.290 nan 0.000 0.519 250 K N 0.656 121.056 120.400 -0.000 0.000 2.118 250 K HA 0.661 5.257 4.320 0.460 0.000 0.267 250 K C 0.250 176.847 176.600 -0.005 0.000 0.991 250 K CA -0.623 55.661 56.287 -0.005 0.000 0.916 250 K CB 1.984 34.479 32.500 -0.008 0.000 1.041 250 K HN 0.168 nan 8.250 nan 0.000 0.455 251 V N 1.827 121.734 119.914 -0.010 0.000 2.407 251 V HA 0.427 4.823 4.120 0.460 0.000 0.278 251 V C -0.021 176.058 176.094 -0.025 0.000 1.037 251 V CA -0.861 61.430 62.300 -0.014 0.000 0.900 251 V CB 1.124 32.937 31.823 -0.016 0.000 0.983 251 V HN 0.795 nan 8.190 nan 0.000 0.459 252 A N 5.142 127.942 122.820 -0.033 0.000 2.304 252 A HA 0.763 5.359 4.320 0.460 0.000 0.314 252 A C -0.670 176.875 177.584 -0.065 0.000 1.187 252 A CA -0.513 51.495 52.037 -0.048 0.000 0.810 252 A CB 1.344 20.314 19.000 -0.051 0.000 1.183 252 A HN 0.613 nan 8.150 nan 0.000 0.487 253 V N 3.607 123.484 119.914 -0.063 0.000 2.406 253 V HA 0.261 4.658 4.120 0.460 0.000 0.272 253 V C -0.049 176.002 176.094 -0.072 0.000 1.043 253 V CA -0.287 61.969 62.300 -0.072 0.000 0.915 253 V CB 1.213 32.992 31.823 -0.073 0.000 0.988 253 V HN 0.594 nan 8.190 nan 0.000 0.466 254 V N 4.803 124.667 119.914 -0.082 0.000 2.350 254 V HA 0.229 4.625 4.120 0.460 0.000 0.276 254 V C 0.136 176.211 176.094 -0.032 0.000 1.028 254 V CA -0.501 61.764 62.300 -0.059 0.000 0.860 254 V CB 1.316 33.095 31.823 -0.072 0.000 0.990 254 V HN 0.981 nan 8.190 nan 0.000 0.453 255 C N 5.012 124.298 119.300 -0.022 0.000 2.349 255 C HA 0.742 5.478 4.460 0.460 0.000 0.348 255 C C 0.994 175.997 174.990 0.021 0.000 1.223 255 C CA -0.062 58.951 59.018 -0.009 0.000 1.746 255 C CB -1.098 26.631 27.740 -0.018 0.000 2.360 255 C HN 1.328 nan 8.230 nan 0.000 0.533 256 G N 2.541 111.370 108.800 0.047 0.000 2.788 256 G HA2 -0.096 4.141 3.960 0.460 0.000 0.686 256 G HA3 -0.096 4.141 3.960 0.460 0.000 0.686 256 G C -1.149 173.839 174.900 0.148 0.000 1.147 256 G CA -0.648 44.498 45.100 0.077 0.000 0.755 256 G HN 0.762 nan 8.290 nan 0.000 0.634 257 Y N 2.300 122.592 120.300 -0.014 0.000 2.629 257 Y HA 0.515 5.342 4.550 0.462 0.000 0.282 257 Y C 1.267 177.165 175.900 -0.003 0.000 0.994 257 Y CA 0.381 58.475 58.100 -0.010 0.000 1.126 257 Y CB 0.131 38.595 38.460 0.007 0.000 1.187 257 Y HN 0.988 nan 8.280 nan 0.000 0.600 258 G N 0.037 108.806 108.800 -0.050 0.000 2.504 258 G HA2 -0.006 4.230 3.960 0.460 0.000 0.257 258 G HA3 -0.006 4.230 3.960 0.460 0.000 0.257 258 G C 0.597 175.383 174.900 -0.189 0.000 1.451 258 G CA 0.091 45.137 45.100 -0.089 0.000 1.059 258 G HN 0.235 nan 8.290 nan 0.000 0.550 259 D N -1.123 119.193 120.400 -0.140 0.000 2.097 259 D HA -0.123 4.793 4.640 0.460 0.000 0.195 259 D C 2.719 178.912 176.300 -0.178 0.000 0.989 259 D CA 0.865 54.761 54.000 -0.174 0.000 0.827 259 D CB -0.341 40.380 40.800 -0.132 0.000 0.966 259 D HN 0.045 nan 8.370 nan 0.000 0.456 260 V N 0.904 120.750 119.914 -0.115 0.000 2.358 260 V HA -0.129 4.268 4.120 0.460 0.000 0.246 260 V C 2.545 178.573 176.094 -0.110 0.000 1.047 260 V CA 1.958 64.208 62.300 -0.082 0.000 1.035 260 V CB -0.926 30.884 31.823 -0.022 0.000 0.658 260 V HN 0.232 nan 8.190 nan 0.000 0.452 261 G N -0.213 108.511 108.800 -0.126 0.000 2.440 261 G HA2 -0.274 3.963 3.960 0.460 0.000 0.218 261 G HA3 -0.274 3.963 3.960 0.460 0.000 0.218 261 G C 1.667 176.390 174.900 -0.295 0.000 1.154 261 G CA 1.011 46.026 45.100 -0.142 0.000 0.767 261 G HN 0.470 nan 8.290 nan 0.000 0.552 262 K N 0.058 120.139 120.400 -0.532 0.000 2.026 262 K HA -0.033 4.564 4.320 0.460 0.000 0.208 262 K C 2.763 179.215 176.600 -0.247 0.000 1.048 262 K CA 1.006 56.924 56.287 -0.616 0.000 0.929 262 K CB -0.444 31.720 32.500 -0.562 0.000 0.713 262 K HN 0.271 nan 8.250 nan 0.000 0.439 263 G N 0.358 109.036 108.800 -0.203 0.000 2.422 263 G HA2 -0.226 4.010 3.960 0.460 0.000 0.218 263 G HA3 -0.226 4.010 3.960 0.460 0.000 0.218 263 G C 1.493 176.343 174.900 -0.082 0.000 1.146 263 G CA 0.895 45.919 45.100 -0.125 0.000 0.769 263 G HN 0.183 nan 8.290 nan 0.000 0.547 264 S N 1.027 116.671 115.700 -0.094 0.000 2.357 264 S HA 0.065 4.812 4.470 0.460 0.000 0.221 264 S C 2.830 177.383 174.600 -0.077 0.000 1.031 264 S CA 1.031 59.190 58.200 -0.069 0.000 0.982 264 S CB -0.409 62.755 63.200 -0.061 0.000 0.853 264 S HN 0.571 nan 8.310 nan 0.000 0.458 265 A N 1.560 124.316 122.820 -0.106 0.000 1.892 265 A HA -0.248 4.349 4.320 0.460 0.000 0.218 265 A C 2.100 179.657 177.584 -0.044 0.000 1.188 265 A CA 1.778 53.699 52.037 -0.194 0.000 0.631 265 A CB -0.775 18.075 19.000 -0.250 0.000 0.822 265 A HN 0.548 nan 8.150 nan 0.000 0.447 266 Q N -1.001 118.829 119.800 0.050 0.000 2.124 266 Q HA -0.124 4.492 4.340 0.460 0.000 0.202 266 Q C 2.464 178.493 176.000 0.049 0.000 0.977 266 Q CA 1.462 57.326 55.803 0.101 0.000 0.850 266 Q CB -0.205 28.586 28.738 0.088 0.000 0.901 266 Q HN 0.690 nan 8.270 nan 0.000 0.429 267 S N 0.338 116.043 115.700 0.008 0.000 2.356 267 S HA -0.119 4.627 4.470 0.460 0.000 0.223 267 S C 1.852 176.454 174.600 0.003 0.000 1.032 267 S CA 0.934 59.134 58.200 -0.001 0.000 1.005 267 S CB -0.137 63.052 63.200 -0.019 0.000 0.867 267 S HN 0.274 nan 8.310 nan 0.000 0.449 268 L N 1.034 122.251 121.223 -0.010 0.000 2.005 268 L HA -0.018 4.599 4.340 0.460 0.000 0.207 268 L C 2.971 179.853 176.870 0.020 0.000 1.072 268 L CA 1.302 56.136 54.840 -0.011 0.000 0.744 268 L CB -0.712 41.320 42.059 -0.045 0.000 0.895 268 L HN 0.403 nan 8.230 nan 0.000 0.433 269 A N 0.178 123.030 122.820 0.053 0.000 1.940 269 A HA -0.165 4.431 4.320 0.460 0.000 0.219 269 A C 2.345 179.978 177.584 0.082 0.000 1.176 269 A CA 1.815 53.922 52.037 0.117 0.000 0.631 269 A CB -1.342 17.819 19.000 0.267 0.000 0.814 269 A HN 0.478 nan 8.150 nan 0.000 0.446 270 G N -1.062 107.777 108.800 0.066 0.000 2.471 270 G HA2 0.111 4.348 3.960 0.460 0.000 0.219 270 G HA3 0.111 4.348 3.960 0.460 0.000 0.219 270 G C 1.384 176.300 174.900 0.026 0.000 1.125 270 G CA 1.089 46.215 45.100 0.043 0.000 0.775 270 G HN 0.836 nan 8.290 nan 0.000 0.548 271 A N -0.806 122.028 122.820 0.023 0.000 2.238 271 A HA 0.508 5.104 4.320 0.460 0.000 0.210 271 A C 1.907 179.500 177.584 0.015 0.000 1.179 271 A CA 1.269 53.315 52.037 0.014 0.000 0.827 271 A CB -0.129 18.876 19.000 0.008 0.000 0.856 271 A HN 1.459 nan 8.150 nan 0.000 0.488 272 G N -2.111 106.703 108.800 0.024 0.000 2.201 272 G HA2 0.157 4.394 3.960 0.460 0.000 0.212 272 G HA3 0.157 4.394 3.960 0.460 0.000 0.212 272 G C 0.489 175.404 174.900 0.025 0.000 0.994 272 G CA 0.112 45.226 45.100 0.024 0.000 0.644 272 G HN 1.435 nan 8.290 nan 0.000 0.508 273 A N 0.011 122.845 122.820 0.023 0.000 2.346 273 A HA 0.721 5.317 4.320 0.460 0.000 0.252 273 A C 0.679 178.285 177.584 0.036 0.000 1.089 273 A CA 0.642 52.690 52.037 0.018 0.000 0.797 273 A CB 0.311 19.313 19.000 0.002 0.000 1.047 273 A HN 0.896 nan 8.150 nan 0.000 0.494 274 R N 1.300 121.818 120.500 0.030 0.000 2.198 274 R HA 0.483 5.099 4.340 0.460 0.000 0.339 274 R C -1.482 174.838 176.300 0.035 0.000 1.020 274 R CA -0.305 55.827 56.100 0.053 0.000 0.864 274 R CB 0.463 30.787 30.300 0.041 0.000 1.105 274 R HN 0.444 nan 8.270 nan 0.000 0.463 275 V N 5.576 125.525 119.914 0.058 0.000 2.432 275 V HA 0.275 4.671 4.120 0.460 0.000 0.275 275 V C 0.043 176.109 176.094 -0.047 0.000 1.043 275 V CA -0.468 61.779 62.300 -0.089 0.000 0.925 275 V CB 1.330 32.910 31.823 -0.405 0.000 0.985 275 V HN 0.767 nan 8.190 nan 0.000 0.466 276 K N 3.278 123.631 120.400 -0.078 0.000 2.123 276 K HA 0.842 5.438 4.320 0.460 0.000 0.248 276 K C -1.244 175.285 176.600 -0.117 0.000 0.969 276 K CA -0.781 55.470 56.287 -0.060 0.000 0.882 276 K CB 2.364 34.841 32.500 -0.038 0.000 1.080 276 K HN 0.396 nan 8.250 nan 0.000 0.441 277 V N 1.082 120.938 119.914 -0.097 0.000 2.841 277 V HA 0.341 4.738 4.120 0.460 0.000 0.310 277 V C -0.386 175.668 176.094 -0.067 0.000 1.090 277 V CA -0.779 61.459 62.300 -0.104 0.000 0.930 277 V CB 2.194 33.901 31.823 -0.194 0.000 1.014 277 V HN 1.032 nan 8.190 nan 0.000 0.425 278 T N 0.929 115.459 114.554 -0.039 0.000 2.918 278 T HA 0.884 5.511 4.350 0.460 0.000 0.286 278 T C -0.845 173.858 174.700 0.004 0.000 1.026 278 T CA -0.566 61.519 62.100 -0.027 0.000 1.031 278 T CB 2.489 71.336 68.868 -0.035 0.000 1.046 278 T HN 0.610 nan 8.240 nan 0.000 0.479 279 E N 0.114 120.318 120.200 0.007 0.000 2.401 279 E HA 0.332 4.958 4.350 0.460 0.000 0.280 279 E C 0.227 176.841 176.600 0.023 0.000 1.039 279 E CA -0.522 55.896 56.400 0.029 0.000 0.814 279 E CB 2.158 31.884 29.700 0.044 0.000 1.275 279 E HN 0.627 nan 8.360 nan 0.000 0.448 280 V N -2.385 117.547 119.914 0.030 0.000 3.635 280 V HA 0.309 4.706 4.120 0.460 0.000 0.266 280 V C 0.425 176.535 176.094 0.026 0.000 1.316 280 V CA 0.183 62.498 62.300 0.025 0.000 1.060 280 V CB 0.662 32.501 31.823 0.027 0.000 0.820 280 V HN 0.410 nan 8.190 nan 0.000 0.447 281 D N 2.665 123.085 120.400 0.034 0.000 2.317 281 D HA 0.326 5.242 4.640 0.460 0.000 0.234 281 D C -1.400 174.919 176.300 0.033 0.000 1.112 281 D CA -2.160 51.860 54.000 0.034 0.000 0.840 281 D CB 2.247 43.071 40.800 0.041 0.000 1.078 281 D HN 0.173 nan 8.370 nan 0.000 0.486 282 P HA -0.088 nan 4.420 nan 0.000 0.220 282 P C 1.800 179.113 177.300 0.021 0.000 1.148 282 P CA 0.633 63.743 63.100 0.017 0.000 0.803 282 P CB 0.616 32.324 31.700 0.012 0.000 0.782 283 I N -0.362 120.225 120.570 0.028 0.000 2.202 283 I HA -0.212 4.235 4.170 0.460 0.000 0.242 283 I C 2.570 178.723 176.117 0.059 0.000 1.091 283 I CA 1.325 62.645 61.300 0.035 0.000 1.368 283 I CB -0.916 37.103 38.000 0.032 0.000 1.058 283 I HN 0.028 nan 8.210 nan 0.000 0.410 284 C N 0.877 120.226 119.300 0.081 0.000 2.440 284 C HA -0.065 4.671 4.460 0.460 0.000 0.278 284 C C 3.200 178.261 174.990 0.118 0.000 1.295 284 C CA 0.805 59.915 59.018 0.154 0.000 1.738 284 C CB -1.170 26.671 27.740 0.168 0.000 1.987 284 C HN 0.586 nan 8.230 nan 0.000 0.492 285 A N 0.199 123.045 122.820 0.043 0.000 1.877 285 A HA -0.138 4.458 4.320 0.460 0.000 0.216 285 A C 2.027 179.582 177.584 -0.048 0.000 1.186 285 A CA 1.548 53.570 52.037 -0.025 0.000 0.620 285 A CB -0.664 18.329 19.000 -0.013 0.000 0.822 285 A HN 0.469 nan 8.150 nan 0.000 0.443 286 L N -0.040 121.176 121.223 -0.010 0.000 2.083 286 L HA -0.197 4.419 4.340 0.460 0.000 0.209 286 L C 2.524 179.388 176.870 -0.009 0.000 1.083 286 L CA 2.074 56.907 54.840 -0.012 0.000 0.752 286 L CB -0.641 41.419 42.059 0.002 0.000 0.899 286 L HN 0.498 nan 8.230 nan 0.000 0.433 287 Q N -0.917 118.903 119.800 0.032 0.000 2.061 287 Q HA -0.231 4.386 4.340 0.460 0.000 0.204 287 Q C 2.260 178.263 176.000 0.005 0.000 0.984 287 Q CA 1.810 57.667 55.803 0.089 0.000 0.846 287 Q CB -0.401 28.480 28.738 0.239 0.000 0.902 287 Q HN 0.684 nan 8.270 nan 0.000 0.421 288 A N 1.047 123.719 122.820 -0.247 0.000 1.902 288 A HA -0.119 4.477 4.320 0.460 0.000 0.217 288 A C 2.296 179.772 177.584 -0.181 0.000 1.181 288 A CA 1.637 53.343 52.037 -0.552 0.000 0.623 288 A CB -0.759 17.705 19.000 -0.894 0.000 0.818 288 A HN 0.408 nan 8.150 nan 0.000 0.443 289 A N -1.408 121.335 122.820 -0.129 0.000 1.930 289 A HA -0.068 4.528 4.320 0.460 0.000 0.217 289 A C 2.123 179.647 177.584 -0.100 0.000 1.175 289 A CA 2.037 54.023 52.037 -0.086 0.000 0.627 289 A CB -0.425 18.539 19.000 -0.060 0.000 0.815 289 A HN 0.447 nan 8.150 nan 0.000 0.443 290 M N 0.056 119.607 119.600 -0.081 0.000 2.296 290 M HA -0.063 4.694 4.480 0.460 0.000 0.265 290 M C 0.437 176.667 176.300 -0.116 0.000 1.064 290 M CA 1.149 56.405 55.300 -0.073 0.000 1.109 290 M CB -0.203 32.378 32.600 -0.031 0.000 1.396 290 M HN 0.274 nan 8.290 nan 0.000 0.430 291 D N -0.548 119.759 120.400 -0.154 0.000 2.349 291 D HA 0.171 5.087 4.640 0.460 0.000 0.224 291 D C 1.325 177.249 176.300 -0.627 0.000 1.029 291 D CA 0.996 54.831 54.000 -0.275 0.000 0.879 291 D CB -0.157 40.585 40.800 -0.096 0.000 0.906 291 D HN 0.506 nan 8.370 nan 0.000 0.528 292 G N 0.368 108.893 108.800 -0.458 0.000 2.141 292 G HA2 -0.259 3.977 3.960 0.460 0.000 0.242 292 G HA3 -0.259 3.977 3.960 0.460 0.000 0.242 292 G C -0.052 174.610 174.900 -0.397 0.000 0.982 292 G CA -0.461 44.394 45.100 -0.407 0.000 0.662 292 G HN 0.181 nan 8.290 nan 0.000 0.527 293 F N 0.961 120.868 119.950 -0.072 0.000 2.399 293 F HA 0.575 5.378 4.527 0.460 0.000 0.334 293 F C 0.757 176.500 175.800 -0.095 0.000 1.097 293 F CA -1.744 56.206 58.000 -0.084 0.000 1.076 293 F CB 1.193 40.119 39.000 -0.123 0.000 1.162 293 F HN 0.147 nan 8.300 nan 0.000 0.495 294 E N 1.717 121.994 120.200 0.129 0.000 2.344 294 E HA 0.294 4.921 4.350 0.460 0.000 0.270 294 E C -1.258 175.350 176.600 0.015 0.000 1.021 294 E CA -0.258 56.167 56.400 0.041 0.000 0.887 294 E CB 0.836 30.553 29.700 0.028 0.000 0.997 294 E HN 0.423 nan 8.360 nan 0.000 0.429 295 V N 6.561 126.467 119.914 -0.014 0.000 2.350 295 V HA 0.266 4.662 4.120 0.460 0.000 0.276 295 V C 0.132 176.208 176.094 -0.030 0.000 1.028 295 V CA -0.349 61.929 62.300 -0.037 0.000 0.860 295 V CB 0.783 32.575 31.823 -0.051 0.000 0.990 295 V HN 0.546 nan 8.190 nan 0.000 0.453 296 V N 2.224 122.117 119.914 -0.034 0.000 3.141 296 V HA 0.864 5.261 4.120 0.460 0.000 0.312 296 V C -0.045 176.027 176.094 -0.036 0.000 1.157 296 V CA -0.648 61.633 62.300 -0.031 0.000 1.041 296 V CB 2.263 34.066 31.823 -0.033 0.000 1.071 296 V HN 0.774 nan 8.190 nan 0.000 0.441 297 T N -0.106 114.429 114.554 -0.032 0.000 2.875 297 T HA 0.477 5.103 4.350 0.460 0.000 0.284 297 T C 0.718 175.375 174.700 -0.072 0.000 0.995 297 T CA -0.199 61.878 62.100 -0.038 0.000 1.060 297 T CB 1.445 70.306 68.868 -0.012 0.000 0.967 297 T HN 0.943 nan 8.240 nan 0.000 0.476 298 L N 1.516 122.659 121.223 -0.134 0.000 2.191 298 L HA 0.012 4.628 4.340 0.460 0.000 0.212 298 L C 1.770 178.512 176.870 -0.213 0.000 1.103 298 L CA 1.777 56.463 54.840 -0.256 0.000 0.769 298 L CB -1.035 40.719 42.059 -0.508 0.000 0.908 298 L HN 0.743 nan 8.230 nan 0.000 0.438 299 D N -0.151 120.206 120.400 -0.072 0.000 2.116 299 D HA -0.192 4.724 4.640 0.460 0.000 0.193 299 D C 1.713 178.028 176.300 0.024 0.000 0.998 299 D CA 1.645 55.687 54.000 0.070 0.000 0.836 299 D CB -0.088 40.768 40.800 0.093 0.000 0.951 299 D HN 0.419 nan 8.370 nan 0.000 0.449 300 D N -0.748 119.648 120.400 -0.007 0.000 2.213 300 D HA 0.072 4.988 4.640 0.460 0.000 0.205 300 D C 1.663 177.950 176.300 -0.023 0.000 0.961 300 D CA 0.818 54.812 54.000 -0.010 0.000 0.853 300 D CB -0.014 40.779 40.800 -0.011 0.000 0.967 300 D HN 0.163 nan 8.370 nan 0.000 0.496 301 A N 0.425 123.220 122.820 -0.042 0.000 2.220 301 A HA 0.411 5.007 4.320 0.460 0.000 0.211 301 A C 2.102 179.654 177.584 -0.054 0.000 1.176 301 A CA 0.867 52.876 52.037 -0.047 0.000 0.834 301 A CB -0.021 18.946 19.000 -0.055 0.000 0.868 301 A HN 0.138 nan 8.150 nan 0.000 0.488 302 A N 0.894 123.678 122.820 -0.060 0.000 1.883 302 A HA -0.157 4.439 4.320 0.460 0.000 0.217 302 A C 2.492 180.050 177.584 -0.044 0.000 1.186 302 A CA 2.324 54.327 52.037 -0.056 0.000 0.624 302 A CB -1.025 17.956 19.000 -0.031 0.000 0.822 302 A HN 1.065 nan 8.150 nan 0.000 0.444 303 S N -0.527 115.151 115.700 -0.036 0.000 2.442 303 S HA -0.121 4.625 4.470 0.460 0.000 0.236 303 S C 1.508 176.083 174.600 -0.041 0.000 1.007 303 S CA 1.918 60.093 58.200 -0.042 0.000 0.965 303 S CB -0.892 62.288 63.200 -0.034 0.000 0.773 303 S HN 0.839 nan 8.310 nan 0.000 0.504 304 T N -1.696 112.837 114.554 -0.036 0.000 3.044 304 T HA 0.667 5.293 4.350 0.460 0.000 0.260 304 T C 0.515 175.195 174.700 -0.033 0.000 1.019 304 T CA 0.075 62.156 62.100 -0.032 0.000 0.921 304 T CB 0.105 68.958 68.868 -0.025 0.000 1.053 304 T HN 0.538 nan 8.240 nan 0.000 0.533 305 A N 1.402 124.199 122.820 -0.039 0.000 2.425 305 A HA 0.411 5.007 4.320 0.460 0.000 0.242 305 A C 0.828 178.391 177.584 -0.036 0.000 1.077 305 A CA -0.227 51.786 52.037 -0.039 0.000 0.781 305 A CB 0.239 19.210 19.000 -0.048 0.000 1.020 305 A HN 0.369 nan 8.150 nan 0.000 0.494 306 D N 0.050 120.431 120.400 -0.032 0.000 2.423 306 D HA 0.228 5.144 4.640 0.460 0.000 0.212 306 D C -0.130 176.152 176.300 -0.029 0.000 1.060 306 D CA 0.906 54.889 54.000 -0.028 0.000 0.872 306 D CB 0.487 41.274 40.800 -0.022 0.000 1.012 306 D HN 0.488 nan 8.370 nan 0.000 0.503 307 I N 1.271 121.822 120.570 -0.031 0.000 2.607 307 I HA 0.230 4.676 4.170 0.460 0.000 0.290 307 I C -1.143 174.952 176.117 -0.037 0.000 1.129 307 I CA -0.821 60.461 61.300 -0.031 0.000 1.042 307 I CB 3.192 41.176 38.000 -0.028 0.000 1.242 307 I HN -0.395 nan 8.210 nan 0.000 0.421 308 V N 6.583 126.476 119.914 -0.034 0.000 2.483 308 V HA 0.512 4.908 4.120 0.460 0.000 0.297 308 V C -0.409 175.668 176.094 -0.029 0.000 1.027 308 V CA -0.660 61.616 62.300 -0.039 0.000 0.855 308 V CB 2.126 33.922 31.823 -0.045 0.000 0.995 308 V HN 0.405 nan 8.190 nan 0.000 0.424 309 V N 3.159 123.055 119.914 -0.030 0.000 2.604 309 V HA 0.585 4.981 4.120 0.460 0.000 0.305 309 V C 0.046 176.132 176.094 -0.014 0.000 1.043 309 V CA -0.365 61.924 62.300 -0.018 0.000 0.888 309 V CB 2.310 34.121 31.823 -0.020 0.000 0.995 309 V HN 0.879 nan 8.190 nan 0.000 0.429 310 T N 1.937 116.491 114.554 -0.000 0.000 2.824 310 T HA 0.555 5.181 4.350 0.460 0.000 0.280 310 T C 0.439 175.150 174.700 0.017 0.000 0.995 310 T CA 0.389 62.494 62.100 0.008 0.000 1.009 310 T CB 1.178 70.057 68.868 0.019 0.000 0.955 310 T HN 1.035 nan 8.240 nan 0.000 0.452 311 T N -0.382 114.183 114.554 0.019 0.000 3.403 311 T HA 0.109 4.735 4.350 0.460 0.000 0.308 311 T C 1.560 176.277 174.700 0.028 0.000 0.952 311 T CA 0.383 62.496 62.100 0.022 0.000 0.970 311 T CB -0.320 68.550 68.868 0.003 0.000 1.189 311 T HN 0.623 nan 8.240 nan 0.000 0.528 312 T N -1.077 113.498 114.554 0.035 0.000 2.896 312 T HA 0.345 4.971 4.350 0.460 0.000 0.263 312 T C 2.201 176.929 174.700 0.046 0.000 1.050 312 T CA 1.426 63.549 62.100 0.038 0.000 1.140 312 T CB -0.858 68.034 68.868 0.039 0.000 0.877 312 T HN 1.406 nan 8.240 nan 0.000 0.457 313 G N 1.424 110.260 108.800 0.060 0.000 2.159 313 G HA2 -0.263 3.974 3.960 0.460 0.000 0.256 313 G HA3 -0.263 3.974 3.960 0.460 0.000 0.256 313 G C 0.190 175.130 174.900 0.067 0.000 0.977 313 G CA 0.296 45.441 45.100 0.076 0.000 0.652 313 G HN 0.737 nan 8.290 nan 0.000 0.531 314 N N 0.505 119.238 118.700 0.056 0.000 2.531 314 N HA 0.607 5.624 4.740 0.460 0.000 0.301 314 N C 0.437 175.978 175.510 0.051 0.000 1.310 314 N CA 0.474 53.554 53.050 0.051 0.000 0.949 314 N CB 0.676 39.191 38.487 0.046 0.000 1.111 314 N HN 0.633 nan 8.380 nan 0.000 0.565 315 K N -0.903 119.526 120.400 0.047 0.000 2.444 315 K HA 0.358 4.954 4.320 0.460 0.000 0.252 315 K C -1.098 175.532 176.600 0.050 0.000 0.993 315 K CA -0.592 55.722 56.287 0.045 0.000 0.847 315 K CB 1.507 34.030 32.500 0.039 0.000 1.340 315 K HN 0.322 nan 8.250 nan 0.000 0.446 316 D N 0.528 120.959 120.400 0.052 0.000 2.772 316 D HA -0.139 4.778 4.640 0.460 0.000 0.233 316 D C 0.751 177.103 176.300 0.087 0.000 1.143 316 D CA 0.658 54.693 54.000 0.058 0.000 0.700 316 D CB -1.259 39.566 40.800 0.042 0.000 1.076 316 D HN 0.371 nan 8.370 nan 0.000 0.430 317 V N -0.354 119.615 119.914 0.093 0.000 2.331 317 V HA -0.032 4.365 4.120 0.460 0.000 0.242 317 V C 1.501 177.700 176.094 0.175 0.000 1.034 317 V CA 0.979 63.343 62.300 0.107 0.000 1.027 317 V CB 0.181 32.041 31.823 0.062 0.000 0.667 317 V HN 0.248 nan 8.190 nan 0.000 0.457 318 I N 1.853 122.519 120.570 0.161 0.000 2.307 318 I HA 0.254 4.700 4.170 0.460 0.000 0.287 318 I C 0.506 176.770 176.117 0.245 0.000 1.054 318 I CA -0.071 61.383 61.300 0.258 0.000 1.218 318 I CB 1.020 39.092 38.000 0.120 0.000 1.398 318 I HN 0.301 nan 8.210 nan 0.000 0.475 319 T N 1.723 116.441 114.554 0.273 0.000 2.897 319 T HA 0.320 4.946 4.350 0.460 0.000 0.278 319 T C 1.068 175.771 174.700 0.004 0.000 0.981 319 T CA -0.651 61.447 62.100 -0.003 0.000 0.973 319 T CB 1.832 70.569 68.868 -0.218 0.000 1.092 319 T HN 0.405 nan 8.240 nan 0.000 0.543 320 I N 0.686 121.264 120.570 0.014 0.000 2.264 320 I HA -0.140 4.306 4.170 0.460 0.000 0.248 320 I C 1.744 177.892 176.117 0.052 0.000 1.111 320 I CA 1.714 63.064 61.300 0.083 0.000 1.382 320 I CB -0.480 37.570 38.000 0.083 0.000 1.060 320 I HN 0.648 nan 8.210 nan 0.000 0.418 321 D N -0.579 119.778 120.400 -0.071 0.000 2.144 321 D HA -0.203 4.714 4.640 0.460 0.000 0.200 321 D C 1.964 178.220 176.300 -0.073 0.000 0.978 321 D CA 1.684 55.626 54.000 -0.096 0.000 0.833 321 D CB -0.431 40.272 40.800 -0.161 0.000 0.961 321 D HN 0.589 nan 8.370 nan 0.000 0.470 322 H N 0.043 119.117 119.070 0.006 0.000 2.357 322 H HA 0.074 4.906 4.556 0.460 0.000 0.301 322 H C 2.221 177.521 175.328 -0.048 0.000 1.082 322 H CA 0.667 56.705 56.048 -0.018 0.000 1.342 322 H CB 0.052 29.810 29.762 -0.006 0.000 1.389 322 H HN 0.020 nan 8.280 nan 0.000 0.511 323 M N 0.129 119.790 119.600 0.102 0.000 2.319 323 M HA -0.096 4.660 4.480 0.460 0.000 0.265 323 M C 1.986 178.113 176.300 -0.288 0.000 1.068 323 M CA 1.209 56.520 55.300 0.018 0.000 1.118 323 M CB 0.027 32.740 32.600 0.188 0.000 1.395 323 M HN 0.205 nan 8.290 nan 0.000 0.435 324 R N 0.187 120.541 120.500 -0.245 0.000 2.115 324 R HA -0.070 4.547 4.340 0.460 0.000 0.230 324 R C 2.000 178.105 176.300 -0.326 0.000 1.111 324 R CA 1.000 56.830 56.100 -0.450 0.000 0.976 324 R CB -0.078 30.155 30.300 -0.112 0.000 0.870 324 R HN 0.347 nan 8.270 nan 0.000 0.445 325 K N 0.075 120.376 120.400 -0.165 0.000 2.228 325 K HA 0.048 4.644 4.320 0.460 0.000 0.202 325 K C 0.715 177.242 176.600 -0.122 0.000 1.051 325 K CA 0.404 56.627 56.287 -0.106 0.000 0.960 325 K CB 0.089 32.571 32.500 -0.030 0.000 0.743 325 K HN 0.112 nan 8.250 nan 0.000 0.458 326 M N 2.433 121.948 119.600 -0.143 0.000 2.252 326 M HA -0.056 4.700 4.480 0.460 0.000 0.321 326 M C 0.347 176.566 176.300 -0.135 0.000 1.070 326 M CA 0.505 55.732 55.300 -0.121 0.000 1.143 326 M CB 0.092 32.626 32.600 -0.110 0.000 1.498 326 M HN 0.023 nan 8.290 nan 0.000 0.445 327 K N 0.725 121.070 120.400 -0.091 0.000 2.120 327 K HA 0.235 4.831 4.320 0.460 0.000 0.245 327 K C -0.658 175.897 176.600 -0.074 0.000 1.024 327 K CA -0.820 55.421 56.287 -0.077 0.000 0.906 327 K CB 0.379 32.847 32.500 -0.053 0.000 1.051 327 K HN 0.486 nan 8.250 nan 0.000 0.491 328 D N 0.871 121.237 120.400 -0.057 0.000 2.424 328 D HA -0.015 4.901 4.640 0.460 0.000 0.244 328 D C 0.133 176.413 176.300 -0.033 0.000 1.134 328 D CA 0.353 54.328 54.000 -0.042 0.000 0.881 328 D CB 0.304 41.087 40.800 -0.028 0.000 1.191 328 D HN 0.639 nan 8.370 nan 0.000 0.445 329 M N 1.456 121.039 119.600 -0.029 0.000 2.943 329 M HA -0.221 4.536 4.480 0.460 0.000 0.198 329 M C -0.085 176.197 176.300 -0.030 0.000 0.606 329 M CA 0.167 55.451 55.300 -0.026 0.000 0.744 329 M CB -2.882 29.706 32.600 -0.020 0.000 2.671 329 M HN 0.562 nan 8.290 nan 0.000 0.342 330 C N 2.007 121.285 119.300 -0.036 0.000 2.596 330 C HA 0.296 5.032 4.460 0.460 0.000 0.414 330 C C 1.123 176.094 174.990 -0.033 0.000 1.396 330 C CA -0.302 58.694 59.018 -0.037 0.000 1.698 330 C CB -0.567 27.146 27.740 -0.045 0.000 2.572 330 C HN 0.359 nan 8.230 nan 0.000 0.604 331 I N 6.319 126.871 120.570 -0.029 0.000 2.365 331 I HA 0.433 4.879 4.170 0.460 0.000 0.291 331 I C -0.195 175.907 176.117 -0.025 0.000 1.004 331 I CA -0.082 61.201 61.300 -0.027 0.000 1.311 331 I CB 1.249 39.236 38.000 -0.022 0.000 1.401 331 I HN 0.339 nan 8.210 nan 0.000 0.491 332 V N 4.942 124.841 119.914 -0.024 0.000 2.638 332 V HA 0.853 5.249 4.120 0.460 0.000 0.306 332 V C 0.137 176.224 176.094 -0.011 0.000 1.052 332 V CA -0.418 61.872 62.300 -0.017 0.000 0.885 332 V CB 1.672 33.488 31.823 -0.012 0.000 0.999 332 V HN 0.950 nan 8.190 nan 0.000 0.424 333 G N 2.541 111.339 108.800 -0.004 0.000 2.692 333 G HA2 0.611 4.847 3.960 0.460 0.000 0.291 333 G HA3 0.611 4.847 3.960 0.460 0.000 0.291 333 G C -1.891 173.014 174.900 0.008 0.000 1.423 333 G CA -0.712 44.390 45.100 0.002 0.000 0.843 333 G HN 0.653 nan 8.290 nan 0.000 0.486 334 N N -0.324 118.385 118.700 0.014 0.000 2.295 334 N HA 0.470 5.487 4.740 0.460 0.000 0.293 334 N C -0.330 175.195 175.510 0.025 0.000 1.040 334 N CA -0.814 52.248 53.050 0.020 0.000 0.840 334 N CB 2.000 40.499 38.487 0.020 0.000 1.468 334 N HN 0.382 nan 8.380 nan 0.000 0.478 335 I N 1.690 122.281 120.570 0.034 0.000 4.240 335 I HA 0.426 4.872 4.170 0.460 0.000 0.331 335 I C 1.066 177.226 176.117 0.072 0.000 1.381 335 I CA -0.324 61.007 61.300 0.051 0.000 1.136 335 I CB 0.077 38.105 38.000 0.046 0.000 1.137 335 I HN 0.646 nan 8.210 nan 0.000 0.411 336 G N 0.347 109.188 108.800 0.069 0.000 2.913 336 G HA2 0.032 4.268 3.960 0.460 0.000 0.145 336 G HA3 0.032 4.268 3.960 0.460 0.000 0.145 336 G C -0.494 174.513 174.900 0.179 0.000 1.801 336 G CA 0.070 45.230 45.100 0.099 0.000 1.033 336 G HN 0.377 nan 8.290 nan 0.000 0.495 337 H N -2.324 116.763 119.070 0.028 0.000 3.083 337 H HA 0.425 5.258 4.556 0.461 0.000 0.339 337 H C -0.921 174.427 175.328 0.033 0.000 1.020 337 H CA 0.040 56.107 56.048 0.032 0.000 1.360 337 H CB 1.137 30.920 29.762 0.036 0.000 1.811 337 H HN 0.463 nan 8.280 nan 0.000 0.493 338 F N 0.802 120.662 119.950 -0.149 0.000 3.021 338 F HA 0.368 5.171 4.527 0.460 0.000 0.376 338 F C 0.245 175.932 175.800 -0.189 0.000 1.075 338 F CA 0.633 58.392 58.000 -0.402 0.000 1.073 338 F CB 0.163 38.491 39.000 -1.119 0.000 1.243 338 F HN 0.703 nan 8.300 nan 0.000 0.540 339 D N -0.721 119.622 120.400 -0.096 0.000 2.694 339 D HA 0.527 5.443 4.640 0.460 0.000 0.260 339 D C 0.154 176.448 176.300 -0.010 0.000 1.250 339 D CA 0.147 54.124 54.000 -0.038 0.000 0.763 339 D CB 0.371 41.149 40.800 -0.038 0.000 1.311 339 D HN 1.495 nan 8.370 nan 0.000 0.420 340 N N -1.292 117.415 118.700 0.013 0.000 2.980 340 N HA -0.235 4.782 4.740 0.460 0.000 0.213 340 N C 0.722 176.254 175.510 0.036 0.000 0.892 340 N CA 2.425 55.490 53.050 0.025 0.000 1.025 340 N CB -1.789 36.711 38.487 0.021 0.000 1.030 340 N HN 0.650 nan 8.380 nan 0.000 0.585 341 E N 0.279 120.500 120.200 0.036 0.000 2.106 341 E HA 0.077 4.703 4.350 0.460 0.000 0.192 341 E C 0.455 177.087 176.600 0.055 0.000 0.984 341 E CA 1.183 57.610 56.400 0.045 0.000 0.806 341 E CB 0.217 29.942 29.700 0.042 0.000 0.750 341 E HN 0.577 nan 8.360 nan 0.000 0.458 342 I N 1.434 122.035 120.570 0.052 0.000 2.437 342 I HA 0.057 4.504 4.170 0.460 0.000 0.298 342 I C 0.477 176.634 176.117 0.066 0.000 0.984 342 I CA -0.268 61.071 61.300 0.065 0.000 1.214 342 I CB 1.393 39.428 38.000 0.058 0.000 1.365 342 I HN -0.175 nan 8.210 nan 0.000 0.469 343 Q N 4.032 123.877 119.800 0.074 0.000 3.254 343 Q HA 0.100 4.716 4.340 0.460 0.000 0.315 343 Q C 1.063 177.114 176.000 0.086 0.000 1.405 343 Q CA -0.251 55.593 55.803 0.068 0.000 0.966 343 Q CB 0.460 29.233 28.738 0.059 0.000 1.706 343 Q HN 0.642 nan 8.270 nan 0.000 0.525 344 V N 0.322 120.295 119.914 0.098 0.000 2.343 344 V HA -0.329 4.068 4.120 0.460 0.000 0.247 344 V C 2.188 178.386 176.094 0.172 0.000 1.051 344 V CA 2.206 64.600 62.300 0.156 0.000 1.036 344 V CB -0.601 31.327 31.823 0.174 0.000 0.654 344 V HN 0.702 nan 8.190 nan 0.000 0.451 345 A N 0.214 123.093 122.820 0.099 0.000 1.908 345 A HA -0.183 4.413 4.320 0.460 0.000 0.218 345 A C 2.380 180.002 177.584 0.063 0.000 1.181 345 A CA 2.092 54.164 52.037 0.060 0.000 0.627 345 A CB -0.839 18.176 19.000 0.025 0.000 0.818 345 A HN 0.632 nan 8.150 nan 0.000 0.445 346 A N -0.756 122.103 122.820 0.064 0.000 2.186 346 A HA 0.053 4.649 4.320 0.460 0.000 0.219 346 A C 1.794 179.411 177.584 0.055 0.000 1.159 346 A CA 1.314 53.382 52.037 0.050 0.000 0.680 346 A CB -0.517 18.511 19.000 0.047 0.000 0.787 346 A HN 0.505 nan 8.150 nan 0.000 0.467 347 L N -1.485 119.804 121.223 0.110 0.000 2.607 347 L HA 0.124 4.741 4.340 0.460 0.000 0.228 347 L C 1.959 179.005 176.870 0.293 0.000 1.123 347 L CA -0.283 54.633 54.840 0.127 0.000 0.890 347 L CB -0.138 42.007 42.059 0.144 0.000 1.103 347 L HN 0.118 nan 8.230 nan 0.000 0.468 348 R N 0.361 120.965 120.500 0.174 0.000 2.285 348 R HA -0.082 4.535 4.340 0.460 0.000 0.213 348 R C 1.495 177.796 176.300 0.002 0.000 1.068 348 R CA 0.699 56.818 56.100 0.031 0.000 1.004 348 R CB -0.583 29.661 30.300 -0.094 0.000 0.873 348 R HN 0.337 nan 8.270 nan 0.000 0.467 349 N N -0.087 118.630 118.700 0.029 0.000 2.424 349 N HA 0.049 5.065 4.740 0.460 0.000 0.178 349 N C 0.139 175.661 175.510 0.021 0.000 1.060 349 N CA 0.117 53.170 53.050 0.005 0.000 0.901 349 N CB 0.317 38.797 38.487 -0.013 0.000 0.979 349 N HN 0.026 nan 8.380 nan 0.000 0.451 350 L N 0.625 121.871 121.223 0.038 0.000 2.472 350 L HA 0.286 4.902 4.340 0.460 0.000 0.260 350 L C 1.011 177.972 176.870 0.150 0.000 1.209 350 L CA -0.672 54.159 54.840 -0.016 0.000 0.817 350 L CB 0.136 42.042 42.059 -0.255 0.000 1.106 350 L HN 0.104 nan 8.230 nan 0.000 0.479 351 K N 1.462 121.904 120.400 0.071 0.000 2.378 351 K HA 0.103 4.699 4.320 0.460 0.000 0.288 351 K C -1.206 175.495 176.600 0.169 0.000 1.057 351 K CA -0.089 56.271 56.287 0.122 0.000 0.971 351 K CB -0.380 32.153 32.500 0.055 0.000 0.975 351 K HN 0.429 nan 8.250 nan 0.000 0.475 352 W N 1.087 122.361 121.300 -0.042 0.000 2.433 352 W HA 0.432 5.368 4.660 0.460 0.000 0.315 352 W C -0.006 176.502 176.519 -0.018 0.000 1.087 352 W CA -0.235 57.091 57.345 -0.031 0.000 1.205 352 W CB 1.734 31.174 29.460 -0.033 0.000 1.288 352 W HN 0.511 nan 8.180 nan 0.000 0.504 353 T N 4.010 118.655 114.554 0.152 0.000 2.864 353 T HA 0.117 4.744 4.350 0.460 0.000 0.310 353 T C -0.112 174.645 174.700 0.095 0.000 1.040 353 T CA -0.789 61.374 62.100 0.104 0.000 0.977 353 T CB 0.334 69.232 68.868 0.050 0.000 0.976 353 T HN 0.330 nan 8.240 nan 0.000 0.459 354 N N 2.869 121.640 118.700 0.118 0.000 2.454 354 N HA 0.039 5.055 4.740 0.460 0.000 0.260 354 N C 0.788 176.331 175.510 0.055 0.000 1.218 354 N CA 0.052 53.161 53.050 0.098 0.000 0.904 354 N CB 0.997 39.540 38.487 0.093 0.000 1.065 354 N HN 0.237 nan 8.380 nan 0.000 0.462 355 V N 3.697 123.636 119.914 0.041 0.000 2.672 355 V HA 0.043 4.439 4.120 0.460 0.000 0.242 355 V C 0.539 176.647 176.094 0.024 0.000 1.059 355 V CA 1.206 63.521 62.300 0.024 0.000 1.081 355 V CB -0.276 31.554 31.823 0.012 0.000 0.752 355 V HN 0.877 nan 8.190 nan 0.000 0.472 356 K N -1.229 119.188 120.400 0.028 0.000 2.770 356 K HA 0.374 4.971 4.320 0.460 0.000 0.289 356 K C -3.328 173.289 176.600 0.029 0.000 1.051 356 K CA -1.590 54.712 56.287 0.025 0.000 0.814 356 K CB 0.582 33.094 32.500 0.019 0.000 1.512 356 K HN -0.235 nan 8.250 nan 0.000 0.368 357 P HA 0.041 nan 4.420 nan 0.000 0.263 357 P C -0.348 176.966 177.300 0.023 0.000 1.195 357 P CA 1.844 64.958 63.100 0.023 0.000 0.762 357 P CB 0.752 32.464 31.700 0.019 0.000 0.799 358 Q N -0.292 119.524 119.800 0.027 0.000 2.374 358 Q HA -0.178 4.438 4.340 0.460 0.000 0.218 358 Q C -0.085 175.932 176.000 0.028 0.000 0.691 358 Q CA 1.636 57.454 55.803 0.026 0.000 1.340 358 Q CB -2.732 26.015 28.738 0.015 0.000 1.498 358 Q HN 0.329 nan 8.270 nan 0.000 0.739 359 V N 1.482 121.414 119.914 0.031 0.000 2.482 359 V HA 0.666 5.062 4.120 0.460 0.000 0.295 359 V C -0.861 175.247 176.094 0.023 0.000 1.026 359 V CA -0.696 61.614 62.300 0.018 0.000 0.856 359 V CB 2.073 33.902 31.823 0.010 0.000 1.001 359 V HN 0.504 nan 8.190 nan 0.000 0.424 360 D N 3.748 124.145 120.400 -0.005 0.000 2.649 360 D HA 0.437 5.353 4.640 0.460 0.000 0.249 360 D C -1.044 175.177 176.300 -0.132 0.000 1.112 360 D CA -0.513 53.472 54.000 -0.025 0.000 0.850 360 D CB 3.217 44.033 40.800 0.026 0.000 1.399 360 D HN 0.273 nan 8.370 nan 0.000 0.503 361 L N 2.944 124.107 121.223 -0.101 0.000 2.265 361 L HA 0.344 4.960 4.340 0.460 0.000 0.288 361 L C -0.756 175.980 176.870 -0.223 0.000 1.058 361 L CA -0.268 54.498 54.840 -0.122 0.000 0.809 361 L CB 0.693 42.723 42.059 -0.049 0.000 1.179 361 L HN 0.268 nan 8.230 nan 0.000 0.429 362 I N 4.183 124.576 120.570 -0.296 0.000 2.362 362 I HA 0.338 4.784 4.170 0.460 0.000 0.289 362 I C 0.013 176.046 176.117 -0.141 0.000 0.994 362 I CA -0.272 60.789 61.300 -0.400 0.000 1.158 362 I CB 1.647 39.254 38.000 -0.654 0.000 1.315 362 I HN 0.526 nan 8.210 nan 0.000 0.451 363 E N 5.667 125.806 120.200 -0.102 0.000 2.175 363 E HA 0.462 5.089 4.350 0.460 0.000 0.278 363 E C -1.046 175.553 176.600 -0.000 0.000 0.969 363 E CA -0.523 55.888 56.400 0.017 0.000 0.796 363 E CB 0.981 30.692 29.700 0.020 0.000 1.104 363 E HN 0.340 nan 8.360 nan 0.000 0.395 364 F N 3.764 123.695 119.950 -0.032 0.000 2.362 364 F HA 0.241 5.044 4.527 0.460 0.000 0.311 364 F C -1.194 174.604 175.800 -0.003 0.000 1.161 364 F CA -1.695 56.297 58.000 -0.014 0.000 1.085 364 F CB 0.448 39.437 39.000 -0.018 0.000 1.311 364 F HN 0.531 nan 8.300 nan 0.000 0.524 365 P HA -0.179 nan 4.420 nan 0.000 0.216 365 P C 0.436 177.793 177.300 0.096 0.000 1.150 365 P CA 1.520 64.683 63.100 0.105 0.000 0.837 365 P CB -0.076 31.683 31.700 0.098 0.000 0.786 366 D N -2.114 118.356 120.400 0.115 0.000 2.319 366 D HA 0.112 5.028 4.640 0.460 0.000 0.230 366 D C 1.396 177.729 176.300 0.055 0.000 1.094 366 D CA 0.443 54.483 54.000 0.066 0.000 0.856 366 D CB -0.900 39.925 40.800 0.042 0.000 0.915 366 D HN 0.246 nan 8.370 nan 0.000 0.517 367 G N 0.169 109.014 108.800 0.074 0.000 2.253 367 G HA2 -0.315 3.921 3.960 0.460 0.000 0.251 367 G HA3 -0.315 3.921 3.960 0.460 0.000 0.251 367 G C 0.396 175.329 174.900 0.055 0.000 0.998 367 G CA 0.080 45.213 45.100 0.055 0.000 0.621 367 G HN 0.460 nan 8.290 nan 0.000 0.524 368 K N 1.710 122.143 120.400 0.055 0.000 2.453 368 K HA 0.222 4.818 4.320 0.460 0.000 0.280 368 K C 0.774 177.430 176.600 0.093 0.000 1.045 368 K CA 0.327 56.625 56.287 0.019 0.000 1.059 368 K CB 0.092 32.538 32.500 -0.089 0.000 0.901 368 K HN 0.554 nan 8.250 nan 0.000 0.475 369 R N 3.245 123.773 120.500 0.047 0.000 2.643 369 R HA 0.584 5.201 4.340 0.460 0.000 0.272 369 R C -0.279 176.038 176.300 0.028 0.000 0.995 369 R CA -0.829 55.305 56.100 0.056 0.000 1.032 369 R CB 1.016 31.324 30.300 0.014 0.000 1.126 369 R HN 0.407 nan 8.270 nan 0.000 0.505 370 L N 1.878 123.113 121.223 0.021 0.000 2.354 370 L HA 0.578 5.194 4.340 0.460 0.000 0.264 370 L C -0.606 176.223 176.870 -0.067 0.000 1.008 370 L CA -0.933 53.897 54.840 -0.017 0.000 0.819 370 L CB 2.056 44.125 42.059 0.016 0.000 1.339 370 L HN 0.432 nan 8.230 nan 0.000 0.420 371 I N 2.974 123.507 120.570 -0.061 0.000 2.339 371 I HA 0.316 4.762 4.170 0.460 0.000 0.290 371 I C -0.883 175.187 176.117 -0.078 0.000 0.994 371 I CA -0.528 60.730 61.300 -0.071 0.000 1.191 371 I CB 1.869 39.843 38.000 -0.044 0.000 1.343 371 I HN 0.269 nan 8.210 nan 0.000 0.458 372 L N 8.286 129.442 121.223 -0.112 0.000 2.322 372 L HA 0.570 5.187 4.340 0.460 0.000 0.281 372 L C -1.043 175.798 176.870 -0.048 0.000 1.014 372 L CA -0.257 54.524 54.840 -0.098 0.000 0.815 372 L CB 1.426 43.371 42.059 -0.189 0.000 1.247 372 L HN 0.413 nan 8.230 nan 0.000 0.421 373 L N 5.026 126.238 121.223 -0.019 0.000 2.289 373 L HA 0.430 5.046 4.340 0.460 0.000 0.285 373 L C 0.962 177.841 176.870 0.016 0.000 1.049 373 L CA -0.729 54.111 54.840 0.000 0.000 0.804 373 L CB 1.413 43.472 42.059 0.001 0.000 1.195 373 L HN 0.858 nan 8.230 nan 0.000 0.428 374 S N 1.563 117.277 115.700 0.024 0.000 3.521 374 S HA -0.214 4.533 4.470 0.460 0.000 0.328 374 S C 0.813 175.435 174.600 0.038 0.000 1.165 374 S CA 1.247 59.461 58.200 0.022 0.000 0.941 374 S CB -1.161 62.043 63.200 0.007 0.000 0.951 374 S HN 0.947 nan 8.310 nan 0.000 0.539 375 E N -1.784 118.466 120.200 0.084 0.000 2.805 375 E HA -0.295 4.331 4.350 0.460 0.000 0.266 375 E C 0.910 177.569 176.600 0.098 0.000 1.092 375 E CA 0.877 57.366 56.400 0.148 0.000 0.781 375 E CB -1.744 28.046 29.700 0.148 0.000 1.379 375 E HN 1.501 nan 8.360 nan 0.000 0.433 376 G N -0.399 108.434 108.800 0.054 0.000 2.157 376 G HA2 -0.341 3.895 3.960 0.460 0.000 0.239 376 G HA3 -0.341 3.895 3.960 0.460 0.000 0.239 376 G C 0.280 175.190 174.900 0.016 0.000 0.982 376 G CA 0.409 45.532 45.100 0.039 0.000 0.650 376 G HN 0.264 nan 8.290 nan 0.000 0.527 377 R N -0.942 119.559 120.500 0.002 0.000 2.541 377 R HA 0.640 5.256 4.340 0.460 0.000 0.254 377 R C 0.389 176.680 176.300 -0.015 0.000 1.130 377 R CA -1.114 54.970 56.100 -0.026 0.000 1.152 377 R CB 0.280 30.553 30.300 -0.044 0.000 1.222 377 R HN 0.062 nan 8.270 nan 0.000 0.579 378 L N 2.544 123.753 121.223 -0.024 0.000 2.700 378 L HA -0.116 4.500 4.340 0.460 0.000 0.276 378 L C 1.182 178.058 176.870 0.011 0.000 1.200 378 L CA 0.685 55.527 54.840 0.005 0.000 0.951 378 L CB -0.070 41.997 42.059 0.013 0.000 1.226 378 L HN 0.586 nan 8.230 nan 0.000 0.489 379 L N 2.091 123.327 121.223 0.022 0.000 2.307 379 L HA 0.077 4.693 4.340 0.460 0.000 0.211 379 L C 1.863 178.752 176.870 0.032 0.000 1.099 379 L CA 1.070 55.923 54.840 0.022 0.000 0.816 379 L CB -0.884 41.186 42.059 0.019 0.000 0.952 379 L HN 0.718 nan 8.230 nan 0.000 0.455 380 N N 1.402 120.132 118.700 0.049 0.000 2.381 380 N HA -0.166 4.850 4.740 0.460 0.000 0.182 380 N C 1.623 177.168 175.510 0.059 0.000 1.025 380 N CA 2.347 55.440 53.050 0.072 0.000 0.888 380 N CB -0.569 37.997 38.487 0.131 0.000 0.965 380 N HN 0.507 nan 8.380 nan 0.000 0.438 381 L N -0.026 121.216 121.223 0.031 0.000 2.253 381 L HA 0.448 5.064 4.340 0.460 0.000 0.205 381 L C 2.792 179.670 176.870 0.015 0.000 1.078 381 L CA 1.451 56.298 54.840 0.012 0.000 0.805 381 L CB -1.754 40.294 42.059 -0.018 0.000 0.963 381 L HN 0.379 nan 8.230 nan 0.000 0.459 382 G N -0.168 108.639 108.800 0.010 0.000 2.404 382 G HA2 -0.218 4.018 3.960 0.460 0.000 0.215 382 G HA3 -0.218 4.018 3.960 0.460 0.000 0.215 382 G C 1.342 176.251 174.900 0.015 0.000 1.174 382 G CA 1.106 46.209 45.100 0.005 0.000 0.780 382 G HN 0.664 nan 8.290 nan 0.000 0.537 383 N N -0.329 118.384 118.700 0.021 0.000 2.282 383 N HA 0.448 5.464 4.740 0.460 0.000 0.185 383 N C 0.994 176.522 175.510 0.030 0.000 1.099 383 N CA 0.416 53.480 53.050 0.023 0.000 0.878 383 N CB 0.759 39.258 38.487 0.020 0.000 0.993 383 N HN 0.422 nan 8.380 nan 0.000 0.481 384 A N -0.146 122.696 122.820 0.037 0.000 3.934 384 A HA 0.579 5.175 4.320 0.460 0.000 0.163 384 A C 0.269 177.883 177.584 0.051 0.000 1.103 384 A CA 0.159 52.223 52.037 0.045 0.000 1.170 384 A CB -0.132 18.899 19.000 0.052 0.000 1.564 384 A HN 0.149 nan 8.150 nan 0.000 0.705 385 T N -2.925 111.666 114.554 0.061 0.000 3.516 385 T HA 0.536 5.162 4.350 0.460 0.000 0.300 385 T C 0.808 175.548 174.700 0.068 0.000 0.995 385 T CA 0.991 63.129 62.100 0.063 0.000 0.982 385 T CB -0.450 68.458 68.868 0.068 0.000 1.199 385 T HN 2.490 nan 8.240 nan 0.000 0.481 386 G N 1.746 110.591 108.800 0.074 0.000 2.645 386 G HA2 -0.199 4.037 3.960 0.460 0.000 0.239 386 G HA3 -0.199 4.037 3.960 0.460 0.000 0.239 386 G C -0.554 174.476 174.900 0.216 0.000 1.331 386 G CA -0.584 44.568 45.100 0.087 0.000 0.890 386 G HN 0.817 nan 8.290 nan 0.000 0.572 387 H N 1.330 120.413 119.070 0.022 0.000 2.629 387 H HA 0.356 5.188 4.556 0.459 0.000 0.357 387 H C -1.666 173.687 175.328 0.043 0.000 1.121 387 H CA -0.955 55.114 56.048 0.035 0.000 1.406 387 H CB 0.582 30.363 29.762 0.032 0.000 1.456 387 H HN 0.342 nan 8.280 nan 0.000 0.579 388 P HA -0.022 nan 4.420 nan 0.000 0.271 388 P C 0.305 177.692 177.300 0.145 0.000 1.244 388 P CA -0.031 63.151 63.100 0.137 0.000 0.793 388 P CB 0.723 32.499 31.700 0.126 0.000 0.984 389 S N -0.490 115.291 115.700 0.135 0.000 2.371 389 S HA -0.104 4.642 4.470 0.460 0.000 0.224 389 S C 1.562 176.233 174.600 0.118 0.000 1.029 389 S CA 0.668 58.931 58.200 0.106 0.000 0.978 389 S CB -0.962 62.296 63.200 0.097 0.000 0.833 389 S HN 0.452 nan 8.310 nan 0.000 0.466 390 F N 2.474 122.458 119.950 0.056 0.000 2.087 390 F HA -0.223 4.584 4.527 0.467 0.000 0.299 390 F C 2.218 178.030 175.800 0.020 0.000 1.100 390 F CA 1.306 59.348 58.000 0.070 0.000 1.226 390 F CB -0.538 38.526 39.000 0.107 0.000 0.983 390 F HN -0.042 nan 8.300 nan 0.000 0.479 391 V N 0.070 120.156 119.914 0.287 0.000 2.255 391 V HA -0.369 4.027 4.120 0.460 0.000 0.247 391 V C 2.394 178.465 176.094 -0.038 0.000 1.051 391 V CA 2.026 64.492 62.300 0.277 0.000 1.018 391 V CB -0.545 31.472 31.823 0.322 0.000 0.641 391 V HN 0.312 nan 8.190 nan 0.000 0.445 392 M N -0.423 119.111 119.600 -0.111 0.000 2.296 392 M HA -0.082 4.675 4.480 0.460 0.000 0.265 392 M C 2.459 178.471 176.300 -0.480 0.000 1.064 392 M CA 1.717 56.764 55.300 -0.421 0.000 1.109 392 M CB -1.628 30.710 32.600 -0.436 0.000 1.396 392 M HN 0.479 nan 8.290 nan 0.000 0.430 393 S N 0.625 116.174 115.700 -0.251 0.000 2.382 393 S HA -0.080 4.666 4.470 0.460 0.000 0.228 393 S C 2.043 176.546 174.600 -0.160 0.000 1.027 393 S CA 1.455 59.578 58.200 -0.127 0.000 0.991 393 S CB -0.061 63.085 63.200 -0.090 0.000 0.823 393 S HN 0.480 nan 8.310 nan 0.000 0.469 394 A N 0.673 123.168 122.820 -0.541 0.000 1.898 394 A HA -0.028 4.568 4.320 0.460 0.000 0.216 394 A C 2.467 179.848 177.584 -0.338 0.000 1.181 394 A CA 2.113 53.682 52.037 -0.780 0.000 0.620 394 A CB -1.340 16.839 19.000 -1.368 0.000 0.819 394 A HN 0.678 nan 8.150 nan 0.000 0.442 395 S N -1.282 114.249 115.700 -0.281 0.000 2.371 395 S HA -0.073 4.674 4.470 0.460 0.000 0.224 395 S C 1.712 176.328 174.600 0.027 0.000 1.029 395 S CA 1.349 59.464 58.200 -0.143 0.000 0.978 395 S CB -0.529 62.565 63.200 -0.175 0.000 0.833 395 S HN 0.357 nan 8.310 nan 0.000 0.466 396 F N 2.344 122.288 119.950 -0.010 0.000 2.325 396 F HA 0.123 4.923 4.527 0.454 0.000 0.299 396 F C 2.743 178.545 175.800 0.005 0.000 1.090 396 F CA 0.884 58.890 58.000 0.010 0.000 1.392 396 F CB -1.636 37.368 39.000 0.007 0.000 1.053 396 F HN 0.212 nan 8.300 nan 0.000 0.521 397 T N -0.077 114.579 114.554 0.170 0.000 2.833 397 T HA -0.177 4.449 4.350 0.460 0.000 0.269 397 T C 1.936 176.687 174.700 0.085 0.000 1.054 397 T CA 1.225 63.395 62.100 0.116 0.000 1.135 397 T CB -0.292 68.653 68.868 0.129 0.000 0.869 397 T HN 0.264 nan 8.240 nan 0.000 0.466 398 N N 0.918 119.661 118.700 0.071 0.000 2.120 398 N HA -0.108 4.909 4.740 0.460 0.000 0.188 398 N C 2.104 177.650 175.510 0.060 0.000 1.024 398 N CA 0.983 54.064 53.050 0.052 0.000 0.852 398 N CB -0.151 38.363 38.487 0.044 0.000 1.003 398 N HN 0.407 nan 8.380 nan 0.000 0.424 399 Q N 0.904 120.765 119.800 0.102 0.000 2.030 399 Q HA -0.100 4.516 4.340 0.460 0.000 0.204 399 Q C 2.385 178.404 176.000 0.032 0.000 0.986 399 Q CA 0.886 56.737 55.803 0.079 0.000 0.843 399 Q CB -0.781 28.027 28.738 0.115 0.000 0.904 399 Q HN 0.202 nan 8.270 nan 0.000 0.420 400 V N 1.666 121.600 119.914 0.034 0.000 2.219 400 V HA -0.306 4.090 4.120 0.460 0.000 0.248 400 V C 2.570 178.632 176.094 -0.053 0.000 1.053 400 V CA 2.000 64.293 62.300 -0.012 0.000 1.009 400 V CB -0.883 30.944 31.823 0.007 0.000 0.636 400 V HN 0.301 nan 8.190 nan 0.000 0.445 401 L N 0.278 121.478 121.223 -0.038 0.000 2.079 401 L HA -0.143 4.473 4.340 0.460 0.000 0.210 401 L C 2.644 179.471 176.870 -0.071 0.000 1.081 401 L CA 1.765 56.562 54.840 -0.073 0.000 0.752 401 L CB -1.270 40.770 42.059 -0.032 0.000 0.896 401 L HN 0.522 nan 8.230 nan 0.000 0.433 402 G N -1.049 107.725 108.800 -0.044 0.000 2.418 402 G HA2 -0.235 4.001 3.960 0.460 0.000 0.217 402 G HA3 -0.235 4.001 3.960 0.460 0.000 0.217 402 G C 1.555 176.414 174.900 -0.067 0.000 1.158 402 G CA 0.252 45.321 45.100 -0.053 0.000 0.771 402 G HN 0.277 nan 8.290 nan 0.000 0.545 403 Q N 0.186 119.954 119.800 -0.054 0.000 2.046 403 Q HA -0.009 4.607 4.340 0.460 0.000 0.200 403 Q C 2.790 178.770 176.000 -0.032 0.000 0.975 403 Q CA 0.847 56.620 55.803 -0.050 0.000 0.836 403 Q CB -0.349 28.352 28.738 -0.062 0.000 0.896 403 Q HN 0.565 nan 8.270 nan 0.000 0.428 404 I N 0.828 121.353 120.570 -0.075 0.000 2.118 404 I HA -0.314 4.132 4.170 0.460 0.000 0.241 404 I C 2.478 178.589 176.117 -0.009 0.000 1.070 404 I CA 1.465 62.725 61.300 -0.065 0.000 1.327 404 I CB -0.338 37.534 38.000 -0.213 0.000 1.034 404 I HN 0.211 nan 8.210 nan 0.000 0.405 405 E N 1.472 121.645 120.200 -0.046 0.000 2.033 405 E HA -0.226 4.401 4.350 0.460 0.000 0.199 405 E C 2.154 178.708 176.600 -0.077 0.000 1.011 405 E CA 1.744 58.123 56.400 -0.035 0.000 0.815 405 E CB -0.348 29.315 29.700 -0.062 0.000 0.755 405 E HN 0.395 nan 8.360 nan 0.000 0.451 406 L N -0.639 120.496 121.223 -0.148 0.000 2.027 406 L HA -0.099 4.518 4.340 0.460 0.000 0.206 406 L C 2.424 179.267 176.870 -0.045 0.000 1.074 406 L CA 1.233 55.959 54.840 -0.190 0.000 0.745 406 L CB -0.501 41.444 42.059 -0.190 0.000 0.898 406 L HN 0.214 nan 8.230 nan 0.000 0.433 407 F N 1.151 121.032 119.950 -0.115 0.000 2.171 407 F HA -0.253 4.545 4.527 0.450 0.000 0.300 407 F C 2.645 178.410 175.800 -0.060 0.000 1.090 407 F CA 2.011 59.959 58.000 -0.086 0.000 1.293 407 F CB -0.174 38.775 39.000 -0.085 0.000 1.013 407 F HN 0.138 nan 8.300 nan 0.000 0.486 408 T N -2.795 111.767 114.554 0.013 0.000 3.037 408 T HA 0.169 4.795 4.350 0.460 0.000 0.251 408 T C 1.262 175.939 174.700 -0.038 0.000 1.079 408 T CA -0.006 62.070 62.100 -0.041 0.000 1.067 408 T CB -0.148 68.752 68.868 0.054 0.000 0.948 408 T HN 0.295 nan 8.240 nan 0.000 0.496 409 R N 0.759 121.262 120.500 0.005 0.000 2.698 409 R HA 0.293 4.909 4.340 0.460 0.000 0.422 409 R C 1.009 177.382 176.300 0.121 0.000 1.073 409 R CA -0.069 56.072 56.100 0.068 0.000 1.054 409 R CB 0.076 30.472 30.300 0.160 0.000 1.373 409 R HN 0.190 nan 8.270 nan 0.000 0.593 410 T N 0.898 115.459 114.554 0.011 0.000 2.649 410 T HA -0.304 4.322 4.350 0.460 0.000 0.268 410 T C 2.039 176.788 174.700 0.081 0.000 1.036 410 T CA 2.475 64.585 62.100 0.016 0.000 1.157 410 T CB -0.414 68.411 68.868 -0.072 0.000 0.861 410 T HN 0.666 nan 8.240 nan 0.000 0.445 411 D N 0.992 121.409 120.400 0.029 0.000 2.182 411 D HA 0.087 5.003 4.640 0.460 0.000 0.201 411 D C 2.133 178.438 176.300 0.008 0.000 0.986 411 D CA 1.416 55.425 54.000 0.016 0.000 0.847 411 D CB -0.763 40.029 40.800 -0.013 0.000 0.942 411 D HN 0.609 nan 8.370 nan 0.000 0.467 412 A N -1.538 121.279 122.820 -0.005 0.000 2.239 412 A HA 0.381 4.977 4.320 0.460 0.000 0.209 412 A C -0.061 177.282 177.584 -0.401 0.000 1.171 412 A CA 0.251 52.178 52.037 -0.182 0.000 0.768 412 A CB -0.303 18.544 19.000 -0.254 0.000 0.790 412 A HN 0.562 nan 8.150 nan 0.000 0.478 413 Y N -0.883 119.345 120.300 -0.121 0.000 2.376 413 Y HA 0.529 5.349 4.550 0.451 0.000 0.340 413 Y C 0.612 176.510 175.900 -0.003 0.000 0.965 413 Y CA -0.368 57.610 58.100 -0.204 0.000 1.078 413 Y CB 1.280 39.512 38.460 -0.379 0.000 1.193 413 Y HN 0.119 nan 8.280 nan 0.000 0.452 414 K N 1.081 121.660 120.400 0.299 0.000 2.180 414 K HA 0.255 4.852 4.320 0.460 0.000 0.251 414 K C -0.066 176.743 176.600 0.348 0.000 1.014 414 K CA -0.701 55.766 56.287 0.299 0.000 0.913 414 K CB 0.114 32.787 32.500 0.288 0.000 1.008 414 K HN 0.740 nan 8.250 nan 0.000 0.490 415 N N 2.596 121.425 118.700 0.216 0.000 2.892 415 N HA 0.108 5.125 4.740 0.460 0.000 0.300 415 N C -0.905 174.704 175.510 0.165 0.000 1.211 415 N CA 0.263 53.420 53.050 0.178 0.000 1.158 415 N CB -0.196 38.335 38.487 0.073 0.000 1.455 415 N HN 0.678 nan 8.380 nan 0.000 0.524 416 E N -1.104 119.262 120.200 0.277 0.000 2.456 416 E HA 0.418 5.044 4.350 0.460 0.000 0.276 416 E C -0.764 175.962 176.600 0.211 0.000 0.981 416 E CA -0.967 55.516 56.400 0.139 0.000 0.814 416 E CB 1.549 31.222 29.700 -0.044 0.000 1.382 416 E HN -0.119 nan 8.360 nan 0.000 0.459 417 V N 1.733 121.693 119.914 0.077 0.000 2.461 417 V HA 0.238 4.634 4.120 0.460 0.000 0.275 417 V C -0.949 175.180 176.094 0.058 0.000 1.047 417 V CA -0.005 62.374 62.300 0.131 0.000 0.955 417 V CB -0.329 31.544 31.823 0.083 0.000 0.988 417 V HN 0.490 nan 8.190 nan 0.000 0.471 418 Y N 2.454 122.824 120.300 0.118 0.000 2.524 418 Y HA 0.623 5.452 4.550 0.464 0.000 0.344 418 Y C 0.299 176.266 175.900 0.112 0.000 1.012 418 Y CA -1.188 56.999 58.100 0.145 0.000 1.068 418 Y CB 2.113 40.718 38.460 0.241 0.000 1.249 418 Y HN 0.574 nan 8.280 nan 0.000 0.468 419 V N 0.836 120.907 119.914 0.261 0.000 2.953 419 V HA 0.346 4.742 4.120 0.460 0.000 0.304 419 V C -0.151 176.054 176.094 0.185 0.000 1.073 419 V CA -1.102 61.309 62.300 0.185 0.000 1.064 419 V CB 1.068 32.982 31.823 0.152 0.000 1.047 419 V HN 0.651 nan 8.190 nan 0.000 0.478 420 L N 4.450 125.745 121.223 0.119 0.000 2.499 420 L HA 0.380 4.996 4.340 0.460 0.000 0.273 420 L C -2.102 174.818 176.870 0.083 0.000 1.195 420 L CA -0.608 54.279 54.840 0.079 0.000 0.882 420 L CB -0.174 41.908 42.059 0.039 0.000 1.133 420 L HN 0.622 nan 8.230 nan 0.000 0.483 421 P HA -0.013 nan 4.420 nan 0.000 0.265 421 P C -0.004 177.309 177.300 0.021 0.000 1.193 421 P CA 0.023 63.173 63.100 0.084 0.000 0.765 421 P CB 0.467 32.226 31.700 0.098 0.000 0.823 422 K N 3.052 123.510 120.400 0.097 0.000 2.152 422 K HA -0.238 4.359 4.320 0.460 0.000 0.206 422 K C 1.704 178.365 176.600 0.102 0.000 1.048 422 K CA 1.661 58.013 56.287 0.109 0.000 0.933 422 K CB -0.310 32.278 32.500 0.146 0.000 0.721 422 K HN 0.645 nan 8.250 nan 0.000 0.447 423 H N -0.771 118.341 119.070 0.071 0.000 2.457 423 H HA -0.027 4.771 4.556 0.402 0.000 0.294 423 H C 1.705 177.084 175.328 0.086 0.000 1.064 423 H CA 1.303 57.388 56.048 0.062 0.000 1.330 423 H CB -0.156 29.623 29.762 0.029 0.000 1.395 423 H HN 0.149 nan 8.280 nan 0.000 0.541 424 L N -0.024 120.933 121.223 -0.444 0.000 2.127 424 L HA -0.058 4.558 4.340 0.460 0.000 0.203 424 L C 2.282 179.118 176.870 -0.057 0.000 1.080 424 L CA 1.041 55.726 54.840 -0.258 0.000 0.768 424 L CB -0.375 41.510 42.059 -0.289 0.000 0.924 424 L HN 0.293 nan 8.230 nan 0.000 0.444 425 D N 0.765 121.148 120.400 -0.028 0.000 2.116 425 D HA -0.236 4.680 4.640 0.460 0.000 0.193 425 D C 2.012 178.341 176.300 0.049 0.000 0.998 425 D CA 1.558 55.567 54.000 0.016 0.000 0.836 425 D CB 0.141 40.960 40.800 0.031 0.000 0.951 425 D HN 0.326 nan 8.370 nan 0.000 0.449 426 E N -0.281 119.975 120.200 0.093 0.000 2.077 426 E HA -0.212 4.414 4.350 0.460 0.000 0.193 426 E C 2.010 178.692 176.600 0.137 0.000 0.989 426 E CA 1.013 57.504 56.400 0.151 0.000 0.800 426 E CB -0.025 29.818 29.700 0.238 0.000 0.746 426 E HN 0.060 nan 8.360 nan 0.000 0.452 427 K N 1.099 121.569 120.400 0.118 0.000 2.103 427 K HA -0.151 4.445 4.320 0.460 0.000 0.207 427 K C 1.881 178.547 176.600 0.109 0.000 1.048 427 K CA 1.039 57.398 56.287 0.120 0.000 0.930 427 K CB -0.446 32.127 32.500 0.122 0.000 0.716 427 K HN -0.043 nan 8.250 nan 0.000 0.444 428 V N 0.899 120.867 119.914 0.090 0.000 2.255 428 V HA -0.288 4.108 4.120 0.460 0.000 0.247 428 V C 2.380 178.564 176.094 0.150 0.000 1.051 428 V CA 2.102 64.462 62.300 0.100 0.000 1.018 428 V CB -1.057 30.782 31.823 0.027 0.000 0.641 428 V HN 0.522 nan 8.190 nan 0.000 0.445 429 A N -0.139 122.738 122.820 0.095 0.000 1.883 429 A HA -0.262 4.334 4.320 0.460 0.000 0.217 429 A C 2.355 180.028 177.584 0.149 0.000 1.186 429 A CA 2.066 54.169 52.037 0.109 0.000 0.624 429 A CB -0.579 18.484 19.000 0.104 0.000 0.822 429 A HN 0.515 nan 8.150 nan 0.000 0.444 430 R N -1.178 119.398 120.500 0.126 0.000 2.103 430 R HA -0.137 4.479 4.340 0.460 0.000 0.242 430 R C 1.775 178.118 176.300 0.072 0.000 1.142 430 R CA 1.364 57.524 56.100 0.101 0.000 0.960 430 R CB -0.515 29.842 30.300 0.096 0.000 0.858 430 R HN 0.377 nan 8.270 nan 0.000 0.439 431 L N -0.064 121.194 121.223 0.058 0.000 2.353 431 L HA -0.128 4.488 4.340 0.460 0.000 0.220 431 L C 1.295 178.030 176.870 -0.225 0.000 1.133 431 L CA 1.828 56.623 54.840 -0.075 0.000 0.798 431 L CB -0.640 41.358 42.059 -0.102 0.000 0.922 431 L HN 0.212 nan 8.230 nan 0.000 0.445 432 H N -3.411 115.635 119.070 -0.040 0.000 2.648 432 H HA 0.117 4.946 4.556 0.456 0.000 0.265 432 H C 1.740 177.148 175.328 0.134 0.000 0.961 432 H CA -0.175 55.866 56.048 -0.012 0.000 1.185 432 H CB 0.443 30.109 29.762 -0.160 0.000 1.449 432 H HN -0.015 nan 8.280 nan 0.000 0.523 433 L N 0.902 122.233 121.223 0.180 0.000 2.017 433 L HA -0.168 4.448 4.340 0.460 0.000 0.208 433 L C 1.848 178.783 176.870 0.109 0.000 1.073 433 L CA 1.707 56.634 54.840 0.145 0.000 0.745 433 L CB -0.673 41.445 42.059 0.099 0.000 0.894 433 L HN 0.380 nan 8.230 nan 0.000 0.432 434 D N -0.658 119.785 120.400 0.072 0.000 2.123 434 D HA -0.242 4.675 4.640 0.460 0.000 0.196 434 D C 2.106 178.442 176.300 0.059 0.000 0.992 434 D CA 1.245 55.273 54.000 0.046 0.000 0.833 434 D CB 0.303 41.114 40.800 0.017 0.000 0.954 434 D HN 0.143 nan 8.370 nan 0.000 0.455 435 K N 1.199 121.655 120.400 0.093 0.000 2.103 435 K HA -0.090 4.506 4.320 0.460 0.000 0.207 435 K C 2.072 178.725 176.600 0.089 0.000 1.048 435 K CA 0.818 57.174 56.287 0.114 0.000 0.930 435 K CB -0.388 32.245 32.500 0.221 0.000 0.716 435 K HN 0.133 nan 8.250 nan 0.000 0.444 436 L N -0.708 120.578 121.223 0.105 0.000 2.478 436 L HA 0.129 4.745 4.340 0.460 0.000 0.223 436 L C 1.232 178.112 176.870 0.016 0.000 1.140 436 L CA 0.549 55.408 54.840 0.032 0.000 0.842 436 L CB -0.445 41.644 42.059 0.050 0.000 0.953 436 L HN 0.609 nan 8.230 nan 0.000 0.452 437 G N 0.360 109.178 108.800 0.029 0.000 2.153 437 G HA2 -0.287 3.950 3.960 0.460 0.000 0.252 437 G HA3 -0.287 3.950 3.960 0.460 0.000 0.252 437 G C 0.329 175.240 174.900 0.018 0.000 0.994 437 G CA 0.137 45.247 45.100 0.017 0.000 0.698 437 G HN 0.511 nan 8.290 nan 0.000 0.521 438 A N -0.012 122.827 122.820 0.031 0.000 2.354 438 A HA 0.662 5.258 4.320 0.460 0.000 0.281 438 A C 0.440 178.041 177.584 0.028 0.000 1.174 438 A CA 0.328 52.383 52.037 0.030 0.000 0.828 438 A CB 0.523 19.549 19.000 0.044 0.000 1.099 438 A HN 0.548 nan 8.150 nan 0.000 0.516 439 K N 3.266 123.676 120.400 0.017 0.000 2.263 439 K HA 0.462 5.059 4.320 0.460 0.000 0.272 439 K C -1.081 175.524 176.600 0.008 0.000 1.033 439 K CA -0.623 55.672 56.287 0.014 0.000 0.884 439 K CB 0.643 33.149 32.500 0.009 0.000 1.107 439 K HN 0.572 nan 8.250 nan 0.000 0.460 440 L N 3.764 124.992 121.223 0.009 0.000 2.349 440 L HA 0.255 4.871 4.340 0.460 0.000 0.275 440 L C -0.296 176.569 176.870 -0.008 0.000 1.115 440 L CA 0.563 55.401 54.840 -0.004 0.000 0.820 440 L CB 1.453 43.515 42.059 0.004 0.000 1.135 440 L HN 0.666 nan 8.230 nan 0.000 0.445 441 T N 3.626 118.165 114.554 -0.024 0.000 2.913 441 T HA 0.490 5.116 4.350 0.460 0.000 0.287 441 T C -0.480 174.212 174.700 -0.014 0.000 1.008 441 T CA -0.404 61.686 62.100 -0.018 0.000 1.067 441 T CB 1.156 70.010 68.868 -0.024 0.000 0.996 441 T HN 0.348 nan 8.240 nan 0.000 0.513 442 V N 3.979 123.900 119.914 0.012 0.000 2.417 442 V HA 0.334 4.730 4.120 0.460 0.000 0.291 442 V C 0.251 176.374 176.094 0.049 0.000 1.024 442 V CA -0.925 61.400 62.300 0.041 0.000 0.861 442 V CB 1.244 33.098 31.823 0.051 0.000 0.985 442 V HN 0.719 nan 8.190 nan 0.000 0.436 443 L N 4.367 125.640 121.223 0.083 0.000 2.490 443 L HA 0.171 4.787 4.340 0.460 0.000 0.274 443 L C 1.161 178.072 176.870 0.068 0.000 1.201 443 L CA 0.294 55.185 54.840 0.085 0.000 0.869 443 L CB 0.695 42.840 42.059 0.143 0.000 1.123 443 L HN 0.905 nan 8.230 nan 0.000 0.484 444 S N 1.184 116.911 115.700 0.045 0.000 2.589 444 S HA 0.007 4.753 4.470 0.460 0.000 0.265 444 S C 0.864 175.491 174.600 0.045 0.000 1.342 444 S CA -0.533 57.688 58.200 0.035 0.000 1.005 444 S CB 1.277 64.487 63.200 0.017 0.000 0.909 444 S HN 0.666 nan 8.310 nan 0.000 0.555 445 E N 0.515 120.737 120.200 0.037 0.000 2.110 445 E HA -0.132 4.494 4.350 0.460 0.000 0.193 445 E C 1.924 178.551 176.600 0.046 0.000 0.988 445 E CA 1.680 58.104 56.400 0.039 0.000 0.804 445 E CB -0.221 29.496 29.700 0.028 0.000 0.745 445 E HN 0.853 nan 8.360 nan 0.000 0.458 446 E N -0.165 120.057 120.200 0.037 0.000 2.047 446 E HA -0.232 4.394 4.350 0.460 0.000 0.191 446 E C 2.057 178.696 176.600 0.066 0.000 0.987 446 E CA 1.218 57.642 56.400 0.040 0.000 0.799 446 E CB 0.007 29.712 29.700 0.009 0.000 0.752 446 E HN 0.311 nan 8.360 nan 0.000 0.449 447 Q N -0.122 119.705 119.800 0.044 0.000 2.096 447 Q HA -0.205 4.411 4.340 0.460 0.000 0.204 447 Q C 2.171 178.259 176.000 0.146 0.000 0.982 447 Q CA 1.486 57.332 55.803 0.072 0.000 0.850 447 Q CB -0.193 28.570 28.738 0.042 0.000 0.901 447 Q HN 0.325 nan 8.270 nan 0.000 0.422 448 A N 1.052 123.941 122.820 0.116 0.000 1.877 448 A HA -0.124 4.473 4.320 0.460 0.000 0.216 448 A C 2.306 179.951 177.584 0.102 0.000 1.186 448 A CA 1.616 53.723 52.037 0.115 0.000 0.620 448 A CB -0.854 18.200 19.000 0.090 0.000 0.822 448 A HN 0.407 nan 8.150 nan 0.000 0.443 449 A N -1.816 121.061 122.820 0.096 0.000 1.972 449 A HA -0.098 4.498 4.320 0.460 0.000 0.219 449 A C 2.094 179.741 177.584 0.104 0.000 1.169 449 A CA 1.613 53.698 52.037 0.080 0.000 0.635 449 A CB -0.764 18.278 19.000 0.070 0.000 0.810 449 A HN 0.697 nan 8.150 nan 0.000 0.446 450 Y N 1.206 121.517 120.300 0.018 0.000 2.165 450 Y HA -0.179 4.647 4.550 0.459 0.000 0.286 450 Y C 1.862 177.772 175.900 0.017 0.000 1.155 450 Y CA 2.005 60.115 58.100 0.016 0.000 1.164 450 Y CB -0.119 38.352 38.460 0.018 0.000 0.978 450 Y HN 0.442 nan 8.280 nan 0.000 0.513 451 I N -3.721 116.899 120.570 0.084 0.000 3.956 451 I HA 0.457 4.903 4.170 0.460 0.000 0.333 451 I C 1.331 177.441 176.117 -0.012 0.000 1.302 451 I CA 0.645 61.946 61.300 0.001 0.000 1.122 451 I CB 0.042 38.096 38.000 0.090 0.000 1.013 451 I HN 0.186 nan 8.210 nan 0.000 0.405 452 G N 2.112 110.913 108.800 0.002 0.000 2.164 452 G HA2 -0.138 4.099 3.960 0.460 0.000 0.212 452 G HA3 -0.138 4.099 3.960 0.460 0.000 0.212 452 G C -0.021 174.874 174.900 -0.007 0.000 1.031 452 G CA 0.058 45.151 45.100 -0.011 0.000 0.730 452 G HN 0.863 nan 8.290 nan 0.000 0.501 453 V N -3.396 116.522 119.914 0.007 0.000 3.105 453 V HA 1.001 5.397 4.120 0.460 0.000 0.311 453 V C 0.347 176.427 176.094 -0.023 0.000 1.287 453 V CA 0.133 62.417 62.300 -0.025 0.000 1.066 453 V CB 1.614 33.423 31.823 -0.023 0.000 1.105 453 V HN 1.365 nan 8.190 nan 0.000 0.462 454 T N -2.617 111.889 114.554 -0.080 0.000 2.952 454 T HA 0.645 5.271 4.350 0.460 0.000 0.286 454 T C -2.126 172.547 174.700 -0.046 0.000 1.024 454 T CA -1.837 60.230 62.100 -0.057 0.000 1.029 454 T CB 1.429 70.249 68.868 -0.080 0.000 1.094 454 T HN 0.585 nan 8.240 nan 0.000 0.515 455 P HA 0.015 nan 4.420 nan 0.000 0.228 455 P C 0.903 178.266 177.300 0.105 0.000 1.151 455 P CA 0.758 63.922 63.100 0.106 0.000 0.770 455 P CB 0.030 31.779 31.700 0.081 0.000 0.786 456 Q N -1.230 118.545 119.800 -0.042 0.000 2.392 456 Q HA 0.323 4.940 4.340 0.460 0.000 0.203 456 Q C 1.097 176.899 176.000 -0.330 0.000 0.917 456 Q CA 0.539 56.304 55.803 -0.063 0.000 0.939 456 Q CB -0.221 28.486 28.738 -0.051 0.000 1.063 456 Q HN 0.133 nan 8.270 nan 0.000 0.516 457 G N 1.534 109.826 108.800 -0.847 0.000 2.828 457 G HA2 -0.183 4.053 3.960 0.460 0.000 0.463 457 G HA3 -0.183 4.053 3.960 0.460 0.000 0.463 457 G C -2.498 172.110 174.900 -0.486 0.000 1.394 457 G CA -0.687 43.617 45.100 -1.328 0.000 0.862 457 G HN 0.104 nan 8.290 nan 0.000 0.540 458 P HA 0.321 nan 4.420 nan 0.000 0.267 458 P C 0.210 177.271 177.300 -0.400 0.000 1.200 458 P CA 0.131 63.075 63.100 -0.261 0.000 0.772 458 P CB 0.177 31.861 31.700 -0.026 0.000 0.855 459 F N -0.105 119.867 119.950 0.037 0.000 2.721 459 F HA 0.207 5.007 4.527 0.455 0.000 0.301 459 F C 1.368 177.105 175.800 -0.105 0.000 1.096 459 F CA 0.458 58.447 58.000 -0.018 0.000 1.308 459 F CB 0.149 39.144 39.000 -0.008 0.000 1.086 459 F HN 0.020 nan 8.300 nan 0.000 0.587 460 K N 0.249 120.670 120.400 0.034 0.000 2.444 460 K HA 0.432 5.029 4.320 0.460 0.000 0.252 460 K C -0.065 176.511 176.600 -0.041 0.000 0.993 460 K CA -0.557 55.637 56.287 -0.155 0.000 0.847 460 K CB 1.855 34.091 32.500 -0.440 0.000 1.340 460 K HN -0.018 nan 8.250 nan 0.000 0.446 461 S N -0.167 115.516 115.700 -0.029 0.000 2.600 461 S HA 0.144 4.891 4.470 0.460 0.000 0.265 461 S C 1.526 176.144 174.600 0.030 0.000 1.325 461 S CA 0.442 58.653 58.200 0.019 0.000 1.002 461 S CB 0.770 63.998 63.200 0.047 0.000 0.921 461 S HN 0.647 nan 8.310 nan 0.000 0.554 462 E N 0.414 120.580 120.200 -0.057 0.000 2.147 462 E HA -0.218 4.408 4.350 0.460 0.000 0.199 462 E C 1.380 177.799 176.600 -0.303 0.000 1.005 462 E CA 2.015 58.280 56.400 -0.224 0.000 0.810 462 E CB -1.103 28.347 29.700 -0.417 0.000 0.736 462 E HN 0.864 nan 8.360 nan 0.000 0.460 463 H N -2.327 116.822 119.070 0.132 0.000 2.486 463 H HA 0.208 5.042 4.556 0.463 0.000 0.284 463 H C -0.623 174.778 175.328 0.122 0.000 1.103 463 H CA -0.891 55.231 56.048 0.124 0.000 1.089 463 H CB -0.749 29.061 29.762 0.080 0.000 1.603 463 H HN 0.497 nan 8.280 nan 0.000 0.557 464 Y N 2.400 122.728 120.300 0.046 0.000 2.810 464 Y HA -0.110 4.716 4.550 0.461 0.000 0.332 464 Y C 1.322 177.196 175.900 -0.045 0.000 1.243 464 Y CA 0.503 58.543 58.100 -0.101 0.000 1.537 464 Y CB 0.523 38.784 38.460 -0.332 0.000 1.265 464 Y HN 0.034 nan 8.280 nan 0.000 0.572 465 R N 3.901 124.101 120.500 -0.500 0.000 2.297 465 R HA 0.032 4.648 4.340 0.460 0.000 0.197 465 R C -0.499 175.756 176.300 -0.074 0.000 0.943 465 R CA 0.178 56.169 56.100 -0.182 0.000 1.038 465 R CB -0.175 30.030 30.300 -0.158 0.000 0.957 465 R HN 0.800 nan 8.270 nan 0.000 0.484 466 Y N 0.000 119.997 120.300 -0.504 0.000 2.660 466 Y HA 0.000 4.826 4.550 0.460 0.000 0.201 466 Y CA 0.000 58.029 58.100 -0.119 0.000 1.940 466 Y CB 0.000 38.539 38.460 0.133 0.000 1.050 466 Y HN 0.000 nan 8.280 nan 0.000 0.758