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 1maa_1_A DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPPGGAG GNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DRKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.623 176.600 0.038 0.000 1.382 4 E CA 0.000 56.415 56.400 0.026 0.000 0.976 4 E CB 0.000 29.712 29.700 0.020 0.000 0.812 5 D N 0.584 121.016 120.400 0.053 0.000 2.738 5 D HA 0.280 4.920 4.640 -0.000 0.000 0.218 5 D C -2.232 174.126 176.300 0.096 0.000 1.345 5 D CA -1.232 52.817 54.000 0.081 0.000 0.943 5 D CB 2.163 43.024 40.800 0.102 0.000 1.514 5 D HN 0.049 nan 8.370 nan 0.000 0.585 6 P HA -0.149 nan 4.420 nan 0.000 0.223 6 P C 0.977 178.345 177.300 0.113 0.000 1.144 6 P CA 0.768 63.912 63.100 0.074 0.000 0.783 6 P CB 0.640 32.364 31.700 0.039 0.000 0.771 7 Q N -0.195 119.707 119.800 0.171 0.000 2.123 7 Q HA 0.053 4.393 4.340 -0.000 0.000 0.199 7 Q C 2.073 178.287 176.000 0.358 0.000 0.966 7 Q CA 1.015 56.981 55.803 0.272 0.000 0.845 7 Q CB -0.313 28.696 28.738 0.453 0.000 0.907 7 Q HN 0.419 nan 8.270 nan 0.000 0.439 8 L N 0.238 121.613 121.223 0.253 0.000 2.700 8 L HA 0.203 4.542 4.340 -0.000 0.000 0.234 8 L C 0.089 177.098 176.870 0.231 0.000 1.156 8 L CA -0.167 54.769 54.840 0.160 0.000 0.946 8 L CB 0.447 42.477 42.059 -0.049 0.000 1.216 8 L HN 0.016 nan 8.230 nan 0.000 0.493 9 L N 1.443 122.820 121.223 0.256 0.000 2.343 9 L HA 0.576 4.915 4.340 -0.000 0.000 0.278 9 L C -0.808 176.157 176.870 0.159 0.000 0.996 9 L CA -0.239 54.723 54.840 0.204 0.000 0.831 9 L CB 2.040 44.167 42.059 0.113 0.000 1.232 9 L HN -0.253 nan 8.230 nan 0.000 0.413 10 V N 4.156 124.166 119.914 0.160 0.000 2.760 10 V HA 0.519 4.639 4.120 -0.000 0.000 0.309 10 V C -0.207 175.875 176.094 -0.021 0.000 1.077 10 V CA -1.007 61.255 62.300 -0.063 0.000 0.910 10 V CB 2.543 34.090 31.823 -0.459 0.000 1.008 10 V HN 0.710 nan 8.190 nan 0.000 0.424 11 R N 2.875 123.322 120.500 -0.087 0.000 2.349 11 R HA 0.740 5.080 4.340 -0.000 0.000 0.299 11 R C -1.189 175.059 176.300 -0.087 0.000 1.027 11 R CA -0.061 56.003 56.100 -0.060 0.000 0.958 11 R CB 1.355 31.608 30.300 -0.079 0.000 1.047 11 R HN 0.520 nan 8.270 nan 0.000 0.468 12 V N 5.197 125.095 119.914 -0.027 0.000 2.960 12 V HA 0.378 4.498 4.120 -0.000 0.000 0.315 12 V C 1.356 177.391 176.094 -0.098 0.000 1.087 12 V CA -0.915 61.384 62.300 -0.003 0.000 0.982 12 V CB 1.858 33.853 31.823 0.286 0.000 1.039 12 V HN 0.910 nan 8.190 nan 0.000 0.437 13 R N 1.352 121.788 120.500 -0.107 0.000 2.276 13 R HA -0.148 4.191 4.340 -0.000 0.000 0.243 13 R C 1.512 177.731 176.300 -0.135 0.000 1.161 13 R CA 1.873 57.906 56.100 -0.111 0.000 1.007 13 R CB -0.189 30.050 30.300 -0.102 0.000 0.867 13 R HN 0.928 nan 8.270 nan 0.000 0.472 14 G N -1.951 106.720 108.800 -0.214 0.000 2.944 14 G HA2 0.406 4.366 3.960 -0.000 0.000 0.220 14 G HA3 0.406 4.366 3.960 -0.000 0.000 0.220 14 G C 0.134 174.307 174.900 -1.211 0.000 1.100 14 G CA 0.345 45.148 45.100 -0.495 0.000 0.780 14 G HN 0.563 nan 8.290 nan 0.000 0.539 15 G N -0.909 107.246 108.800 -1.075 0.000 2.343 15 G HA2 0.270 4.230 3.960 -0.000 0.000 0.289 15 G HA3 0.270 4.230 3.960 -0.000 0.000 0.289 15 G C -1.400 173.321 174.900 -0.298 0.000 1.295 15 G CA -0.905 43.565 45.100 -1.051 0.000 0.869 15 G HN 0.174 nan 8.290 nan 0.000 0.522 16 Q N -0.613 119.186 119.800 -0.001 0.000 2.306 16 Q HA 0.684 5.024 4.340 -0.000 0.000 0.241 16 Q C -0.457 175.859 176.000 0.527 0.000 0.948 16 Q CA -0.047 55.907 55.803 0.252 0.000 0.886 16 Q CB 1.643 30.479 28.738 0.163 0.000 1.227 16 Q HN 0.444 nan 8.270 nan 0.000 0.457 17 L N 0.821 122.284 121.223 0.400 0.000 2.376 17 L HA 0.621 4.961 4.340 -0.000 0.000 0.258 17 L C -0.510 176.567 176.870 0.345 0.000 1.013 17 L CA -0.834 54.262 54.840 0.426 0.000 0.822 17 L CB 2.359 44.755 42.059 0.561 0.000 1.388 17 L HN 0.462 nan 8.230 nan 0.000 0.413 18 R N 0.487 121.136 120.500 0.248 0.000 2.468 18 R HA 0.571 4.911 4.340 -0.000 0.000 0.302 18 R C -0.488 175.733 176.300 -0.131 0.000 1.041 18 R CA -0.330 55.825 56.100 0.091 0.000 0.899 18 R CB 1.599 31.917 30.300 0.030 0.000 1.167 18 R HN 0.829 nan 8.270 nan 0.000 0.483 19 G N 3.364 111.859 108.800 -0.508 0.000 2.543 19 G HA2 0.398 4.358 3.960 -0.000 0.000 0.290 19 G HA3 0.398 4.358 3.960 -0.000 0.000 0.290 19 G C -0.681 173.874 174.900 -0.575 0.000 1.310 19 G CA -0.679 43.783 45.100 -1.062 0.000 1.025 19 G HN 0.586 nan 8.290 nan 0.000 0.502 20 I N -1.378 118.864 120.570 -0.546 0.000 2.892 20 I HA 0.579 4.749 4.170 -0.000 0.000 0.306 20 I C -0.478 175.432 176.117 -0.345 0.000 1.078 20 I CA -1.289 59.795 61.300 -0.361 0.000 1.032 20 I CB 2.260 40.078 38.000 -0.303 0.000 1.229 20 I HN 0.356 nan 8.210 nan 0.000 0.435 21 R N 5.716 126.037 120.500 -0.298 0.000 2.233 21 R HA 0.438 4.777 4.340 -0.000 0.000 0.334 21 R C -1.488 174.671 176.300 -0.235 0.000 1.037 21 R CA -0.741 55.163 56.100 -0.326 0.000 0.920 21 R CB 0.592 30.622 30.300 -0.449 0.000 1.137 21 R HN 0.458 nan 8.270 nan 0.000 0.492 22 L N 3.224 124.340 121.223 -0.179 0.000 2.399 22 L HA 0.324 4.663 4.340 -0.000 0.000 0.266 22 L C 0.292 177.104 176.870 -0.096 0.000 1.114 22 L CA 0.257 55.026 54.840 -0.118 0.000 0.804 22 L CB 0.917 42.935 42.059 -0.068 0.000 1.146 22 L HN 0.317 nan 8.230 nan 0.000 0.451 23 K N 1.909 122.260 120.400 -0.081 0.000 2.464 23 K HA 0.654 4.974 4.320 -0.000 0.000 0.252 23 K C -0.661 175.900 176.600 -0.065 0.000 1.000 23 K CA -0.429 55.823 56.287 -0.059 0.000 0.951 23 K CB 1.376 33.849 32.500 -0.044 0.000 1.183 23 K HN 0.735 nan 8.250 nan 0.000 0.445 24 A N 3.859 126.633 122.820 -0.077 0.000 2.287 24 A HA 0.355 4.675 4.320 -0.000 0.000 0.273 24 A C -1.705 175.881 177.584 0.003 0.000 1.091 24 A CA -1.336 50.632 52.037 -0.116 0.000 0.817 24 A CB 0.147 19.041 19.000 -0.177 0.000 1.069 24 A HN 0.456 nan 8.150 nan 0.000 0.492 25 P HA -0.141 nan 4.420 nan 0.000 0.216 25 P C 1.271 178.616 177.300 0.076 0.000 1.154 25 P CA 2.090 65.250 63.100 0.101 0.000 0.865 25 P CB 0.170 31.968 31.700 0.164 0.000 0.789 26 G N -2.412 106.436 108.800 0.081 0.000 3.141 26 G HA2 0.453 4.413 3.960 -0.000 0.000 0.218 26 G HA3 0.453 4.413 3.960 -0.000 0.000 0.218 26 G C 0.520 175.454 174.900 0.057 0.000 1.170 26 G CA 0.440 45.580 45.100 0.066 0.000 0.769 26 G HN 0.598 nan 8.290 nan 0.000 0.546 27 G N -0.352 108.478 108.800 0.050 0.000 2.362 27 G HA2 0.336 4.296 3.960 -0.000 0.000 0.288 27 G HA3 0.336 4.296 3.960 -0.000 0.000 0.288 27 G C -3.388 171.545 174.900 0.055 0.000 1.305 27 G CA -0.610 44.525 45.100 0.059 0.000 0.910 27 G HN 0.064 nan 8.290 nan 0.000 0.518 28 P HA 0.614 nan 4.420 nan 0.000 0.281 28 P C -0.713 176.670 177.300 0.140 0.000 1.249 28 P CA -0.390 62.765 63.100 0.092 0.000 0.810 28 P CB 1.968 33.783 31.700 0.192 0.000 1.008 29 V N 0.642 120.598 119.914 0.071 0.000 2.808 29 V HA 0.308 4.428 4.120 -0.000 0.000 0.308 29 V C 0.081 176.229 176.094 0.089 0.000 1.099 29 V CA -0.688 61.696 62.300 0.139 0.000 0.920 29 V CB 1.921 33.825 31.823 0.135 0.000 1.014 29 V HN 0.463 nan 8.190 nan 0.000 0.425 30 S N 2.605 118.434 115.700 0.215 0.000 2.513 30 S HA 0.782 5.252 4.470 -0.000 0.000 0.276 30 S C 0.109 174.814 174.600 0.175 0.000 1.254 30 S CA -0.220 58.096 58.200 0.193 0.000 1.053 30 S CB 1.316 64.807 63.200 0.486 0.000 0.958 30 S HN 1.223 nan 8.310 nan 0.000 0.491 31 A N 2.793 125.529 122.820 -0.140 0.000 2.359 31 A HA 0.759 5.079 4.320 -0.000 0.000 0.303 31 A C -1.152 176.142 177.584 -0.483 0.000 1.066 31 A CA -0.621 51.244 52.037 -0.287 0.000 0.730 31 A CB 0.470 19.175 19.000 -0.492 0.000 1.211 31 A HN 0.677 nan 8.150 nan 0.000 0.439 32 F N 3.288 123.085 119.950 -0.254 0.000 2.371 32 F HA 0.357 4.884 4.527 -0.000 0.000 0.343 32 F C -0.402 175.245 175.800 -0.255 0.000 1.150 32 F CA -0.791 57.130 58.000 -0.131 0.000 1.220 32 F CB 0.879 39.965 39.000 0.143 0.000 1.475 32 F HN 0.260 nan 8.300 nan 0.000 0.521 33 L N 1.576 122.619 121.223 -0.300 0.000 2.367 33 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 33 L C 1.138 177.911 176.870 -0.162 0.000 1.129 33 L CA -0.402 54.234 54.840 -0.339 0.000 0.839 33 L CB 0.339 42.003 42.059 -0.658 0.000 1.133 33 L HN 0.745 nan 8.230 nan 0.000 0.453 34 G N 3.496 112.267 108.800 -0.049 0.000 2.142 34 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.225 34 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.225 34 G C 0.164 175.074 174.900 0.015 0.000 1.015 34 G CA -0.370 44.682 45.100 -0.080 0.000 0.716 34 G HN 0.502 nan 8.290 nan 0.000 0.508 35 I N 2.572 123.194 120.570 0.087 0.000 2.483 35 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 35 I C -1.397 174.802 176.117 0.137 0.000 1.112 35 I CA -1.776 59.569 61.300 0.076 0.000 1.350 35 I CB 0.555 38.560 38.000 0.007 0.000 1.419 35 I HN -0.029 nan 8.210 nan 0.000 0.523 36 P HA -0.082 nan 4.420 nan 0.000 0.261 36 P C 0.119 177.366 177.300 -0.089 0.000 1.203 36 P CA 0.225 63.291 63.100 -0.057 0.000 0.767 36 P CB 0.169 31.837 31.700 -0.054 0.000 0.785 37 F N 2.314 122.092 119.950 -0.287 0.000 2.746 37 F HA 0.624 5.151 4.527 -0.000 0.000 0.297 37 F C 0.339 176.096 175.800 -0.071 0.000 1.113 37 F CA -0.565 57.281 58.000 -0.257 0.000 1.367 37 F CB 0.188 38.914 39.000 -0.456 0.000 1.111 37 F HN 0.306 nan 8.300 nan 0.000 0.590 38 A N 0.059 122.584 122.820 -0.491 0.000 2.587 38 A HA 0.508 4.828 4.320 -0.000 0.000 0.293 38 A C -0.968 176.426 177.584 -0.317 0.000 1.087 38 A CA -0.827 51.011 52.037 -0.331 0.000 0.692 38 A CB 0.890 19.636 19.000 -0.424 0.000 1.291 38 A HN 0.060 nan 8.150 nan 0.000 0.407 39 E N 1.625 121.730 120.200 -0.157 0.000 2.351 39 E HA 0.223 4.573 4.350 -0.000 0.000 0.266 39 E C -2.284 174.211 176.600 -0.175 0.000 1.031 39 E CA -1.273 55.055 56.400 -0.119 0.000 0.911 39 E CB 0.141 29.814 29.700 -0.046 0.000 0.986 39 E HN 0.223 nan 8.360 nan 0.000 0.446 40 P HA -0.080 nan 4.420 nan 0.000 0.257 40 P C -2.043 175.171 177.300 -0.145 0.000 1.162 40 P CA -0.411 62.577 63.100 -0.185 0.000 0.762 40 P CB 0.022 31.650 31.700 -0.119 0.000 0.753 41 P HA -0.015 nan 4.420 nan 0.000 0.258 41 P C 0.053 177.271 177.300 -0.137 0.000 1.559 41 P CA 0.155 63.177 63.100 -0.129 0.000 0.855 41 P CB -0.156 31.467 31.700 -0.127 0.000 1.594 42 V N -3.783 116.054 119.914 -0.129 0.000 3.295 42 V HA 0.793 4.913 4.120 -0.000 0.000 0.308 42 V C 1.182 177.205 176.094 -0.118 0.000 1.068 42 V CA 0.261 62.481 62.300 -0.134 0.000 1.062 42 V CB 0.164 31.917 31.823 -0.116 0.000 1.162 42 V HN 0.460 nan 8.190 nan 0.000 0.456 43 G N 2.075 110.803 108.800 -0.120 0.000 2.565 43 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.295 43 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.295 43 G C 1.029 175.868 174.900 -0.102 0.000 1.165 43 G CA 1.454 46.497 45.100 -0.096 0.000 0.977 43 G HN 2.343 nan 8.290 nan 0.000 0.546 44 S N 0.136 115.795 115.700 -0.070 0.000 2.603 44 S HA 0.287 4.757 4.470 -0.000 0.000 0.220 44 S C 1.818 176.385 174.600 -0.055 0.000 0.967 44 S CA 1.331 59.499 58.200 -0.052 0.000 0.920 44 S CB 0.449 63.633 63.200 -0.026 0.000 0.773 44 S HN 0.561 nan 8.310 nan 0.000 0.529 45 R N 1.693 122.145 120.500 -0.080 0.000 2.312 45 R HA 0.337 4.677 4.340 -0.000 0.000 0.205 45 R C 0.784 177.014 176.300 -0.116 0.000 0.904 45 R CA -0.234 55.821 56.100 -0.075 0.000 1.052 45 R CB -0.255 30.001 30.300 -0.073 0.000 1.014 45 R HN 0.452 nan 8.270 nan 0.000 0.503 46 R N 0.349 120.724 120.500 -0.209 0.000 2.537 46 R HA -0.041 4.298 4.340 -0.000 0.000 0.280 46 R C -0.424 175.629 176.300 -0.412 0.000 1.058 46 R CA 0.318 56.178 56.100 -0.401 0.000 1.057 46 R CB 0.138 30.061 30.300 -0.628 0.000 0.973 46 R HN 0.164 nan 8.270 nan 0.000 0.438 47 F N -0.579 119.366 119.950 -0.010 0.000 2.748 47 F HA -0.257 4.270 4.527 -0.000 0.000 0.370 47 F C -0.191 175.587 175.800 -0.037 0.000 0.620 47 F CA 0.382 58.356 58.000 -0.043 0.000 1.233 47 F CB -1.516 37.451 39.000 -0.055 0.000 1.708 47 F HN 0.455 nan 8.300 nan 0.000 0.298 48 M N 1.602 121.251 119.600 0.082 0.000 2.423 48 M HA 0.417 4.897 4.480 -0.000 0.000 0.335 48 M C -1.959 174.359 176.300 0.030 0.000 1.177 48 M CA -1.822 53.509 55.300 0.053 0.000 1.038 48 M CB 0.954 33.569 32.600 0.024 0.000 1.641 48 M HN -0.327 nan 8.290 nan 0.000 0.455 49 P HA 0.122 nan 4.420 nan 0.000 0.267 49 P C -2.529 174.792 177.300 0.034 0.000 1.200 49 P CA -0.647 62.480 63.100 0.045 0.000 0.772 49 P CB -0.791 30.948 31.700 0.064 0.000 0.855 50 P HA 0.200 nan 4.420 nan 0.000 0.272 50 P C -0.444 176.880 177.300 0.039 0.000 1.230 50 P CA 0.151 63.264 63.100 0.020 0.000 0.788 50 P CB 1.046 32.769 31.700 0.039 0.000 0.949 51 E N 1.468 121.675 120.200 0.012 0.000 2.227 51 E HA 0.398 4.748 4.350 -0.000 0.000 0.268 51 E C -2.383 174.246 176.600 0.049 0.000 0.907 51 E CA -2.564 53.858 56.400 0.037 0.000 0.786 51 E CB 1.251 30.965 29.700 0.024 0.000 1.191 51 E HN 0.319 nan 8.360 nan 0.000 0.411 52 P HA -0.046 nan 4.420 nan 0.000 0.263 52 P C -0.880 176.495 177.300 0.125 0.000 1.195 52 P CA -0.197 62.989 63.100 0.143 0.000 0.762 52 P CB 0.344 32.137 31.700 0.156 0.000 0.799 53 K N 4.263 124.749 120.400 0.144 0.000 2.511 53 K HA -0.042 4.278 4.320 -0.000 0.000 0.280 53 K C -0.018 176.715 176.600 0.222 0.000 1.008 53 K CA 0.669 57.046 56.287 0.150 0.000 1.050 53 K CB 0.071 32.684 32.500 0.189 0.000 0.889 53 K HN 0.286 nan 8.250 nan 0.000 0.484 54 R N 4.824 125.438 120.500 0.190 0.000 2.539 54 R HA 0.217 4.557 4.340 -0.000 0.000 0.275 54 R C -1.991 174.484 176.300 0.292 0.000 1.077 54 R CA -1.626 54.585 56.100 0.185 0.000 1.097 54 R CB 0.245 30.623 30.300 0.129 0.000 1.018 54 R HN 0.568 nan 8.270 nan 0.000 0.483 55 P HA -0.061 nan 4.420 nan 0.000 0.266 55 P C -1.283 176.121 177.300 0.175 0.000 1.195 55 P CA 0.031 63.166 63.100 0.058 0.000 0.768 55 P CB 0.300 31.957 31.700 -0.072 0.000 0.838 56 W N 1.250 122.595 121.300 0.076 0.000 2.639 56 W HA 0.671 5.331 4.660 -0.000 0.000 0.347 56 W C -0.551 176.001 176.519 0.055 0.000 1.067 56 W CA -1.034 56.350 57.345 0.065 0.000 1.218 56 W CB 0.280 29.785 29.460 0.076 0.000 1.393 56 W HN 0.367 nan 8.180 nan 0.000 0.557 57 S N 2.036 117.867 115.700 0.218 0.000 2.586 57 S HA 0.788 5.258 4.470 -0.000 0.000 0.274 57 S C 0.523 175.244 174.600 0.201 0.000 1.281 57 S CA 0.116 58.387 58.200 0.118 0.000 1.035 57 S CB 0.810 64.067 63.200 0.094 0.000 0.962 57 S HN 2.100 nan 8.310 nan 0.000 0.512 58 G N 0.451 109.327 108.800 0.127 0.000 2.698 58 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.233 58 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.233 58 G C -0.661 174.374 174.900 0.226 0.000 1.352 58 G CA -0.355 44.833 45.100 0.146 0.000 0.879 58 G HN 1.604 nan 8.290 nan 0.000 0.567 59 V N 1.031 121.061 119.914 0.193 0.000 2.334 59 V HA 0.447 4.567 4.120 -0.000 0.000 0.267 59 V C 0.662 176.882 176.094 0.210 0.000 1.040 59 V CA -0.301 62.131 62.300 0.220 0.000 0.866 59 V CB 1.010 32.915 31.823 0.136 0.000 1.019 59 V HN 0.848 nan 8.190 nan 0.000 0.468 60 L N 5.804 127.206 121.223 0.299 0.000 2.418 60 L HA 0.255 4.594 4.340 -0.000 0.000 0.274 60 L C 0.526 177.415 176.870 0.032 0.000 1.135 60 L CA 0.544 55.414 54.840 0.050 0.000 0.870 60 L CB 0.474 42.353 42.059 -0.301 0.000 1.154 60 L HN 0.685 nan 8.230 nan 0.000 0.462 61 D N 4.385 124.767 120.400 -0.031 0.000 2.424 61 D HA 0.210 4.850 4.640 -0.000 0.000 0.244 61 D C -0.326 175.928 176.300 -0.077 0.000 1.134 61 D CA 0.581 54.552 54.000 -0.049 0.000 0.881 61 D CB 1.348 42.103 40.800 -0.075 0.000 1.191 61 D HN 0.754 nan 8.370 nan 0.000 0.445 62 A N 2.550 125.325 122.820 -0.076 0.000 2.579 62 A HA 0.106 4.426 4.320 -0.000 0.000 0.254 62 A C 0.835 178.299 177.584 -0.200 0.000 0.873 62 A CA -0.130 51.851 52.037 -0.093 0.000 1.106 62 A CB -0.213 18.828 19.000 0.068 0.000 1.222 62 A HN 0.567 nan 8.150 nan 0.000 0.470 63 T N -3.342 111.085 114.554 -0.212 0.000 3.107 63 T HA 0.332 4.682 4.350 -0.000 0.000 0.249 63 T C 0.538 175.069 174.700 -0.282 0.000 1.096 63 T CA 0.782 62.725 62.100 -0.262 0.000 1.012 63 T CB 0.011 68.755 68.868 -0.207 0.000 0.977 63 T HN 0.388 nan 8.240 nan 0.000 0.527 64 T N 0.166 114.557 114.554 -0.271 0.000 2.853 64 T HA 0.530 4.880 4.350 -0.000 0.000 0.311 64 T C -1.745 172.824 174.700 -0.219 0.000 1.307 64 T CA -0.817 61.124 62.100 -0.264 0.000 1.019 64 T CB 0.767 69.538 68.868 -0.162 0.000 1.264 64 T HN 0.041 nan 8.240 nan 0.000 0.497 65 F N 3.390 123.252 119.950 -0.147 0.000 2.538 65 F HA 0.318 4.845 4.527 -0.000 0.000 0.371 65 F C 1.345 177.052 175.800 -0.155 0.000 1.087 65 F CA -0.129 57.794 58.000 -0.129 0.000 1.250 65 F CB 0.587 39.535 39.000 -0.086 0.000 1.110 65 F HN 0.432 nan 8.300 nan 0.000 0.570 66 Q N 1.997 121.844 119.800 0.078 0.000 2.397 66 Q HA 0.160 4.500 4.340 -0.000 0.000 0.193 66 Q C -0.063 175.915 176.000 -0.036 0.000 1.083 66 Q CA -0.403 55.325 55.803 -0.125 0.000 1.108 66 Q CB 0.416 28.929 28.738 -0.375 0.000 1.172 66 Q HN 0.480 nan 8.270 nan 0.000 0.617 67 N N -0.337 118.339 118.700 -0.040 0.000 2.518 67 N HA 0.098 4.837 4.740 -0.000 0.000 0.266 67 N C -0.635 174.882 175.510 0.012 0.000 1.196 67 N CA -0.066 52.978 53.050 -0.010 0.000 0.947 67 N CB 0.600 39.090 38.487 0.004 0.000 1.098 67 N HN 0.155 nan 8.380 nan 0.000 0.450 68 V N 1.938 121.821 119.914 -0.051 0.000 2.637 68 V HA 0.036 4.156 4.120 -0.000 0.000 0.296 68 V C 0.925 176.975 176.094 -0.072 0.000 1.046 68 V CA -0.743 61.505 62.300 -0.087 0.000 1.066 68 V CB 0.447 32.184 31.823 -0.144 0.000 0.968 68 V HN 0.692 nan 8.190 nan 0.000 0.483 69 c N 3.879 122.439 118.600 -0.066 0.000 2.727 69 c HA 0.091 4.661 4.570 -0.000 0.000 0.401 69 c C 0.494 174.508 174.090 -0.127 0.000 1.294 69 c CA -0.550 55.733 56.329 -0.076 0.000 2.134 69 c CB -0.731 41.753 42.510 -0.043 0.000 2.724 69 c HN 0.728 nan 8.230 nan 0.000 0.677 70 Y N 2.826 122.933 120.300 -0.322 0.000 2.544 70 Y HA 0.343 4.893 4.550 -0.000 0.000 0.330 70 Y C 0.665 176.548 175.900 -0.029 0.000 1.136 70 Y CA 0.867 58.761 58.100 -0.342 0.000 1.417 70 Y CB 0.034 38.004 38.460 -0.817 0.000 1.229 70 Y HN 0.742 nan 8.280 nan 0.000 0.532 71 Q N 3.727 123.348 119.800 -0.298 0.000 2.575 71 Q HA 0.258 4.597 4.340 -0.000 0.000 0.290 71 Q C -1.780 174.258 176.000 0.062 0.000 0.963 71 Q CA -1.244 54.597 55.803 0.062 0.000 0.783 71 Q CB 1.344 30.129 28.738 0.077 0.000 1.467 71 Q HN 0.588 nan 8.270 nan 0.000 0.402 72 Y N 0.965 121.376 120.300 0.186 0.000 2.550 72 Y HA 0.404 4.953 4.550 -0.000 0.000 0.343 72 Y C -1.041 174.971 175.900 0.187 0.000 1.245 72 Y CA 0.256 58.491 58.100 0.225 0.000 1.462 72 Y CB 0.954 39.665 38.460 0.419 0.000 1.340 72 Y HN 0.472 nan 8.280 nan 0.000 0.604 73 V N 5.836 125.530 119.914 -0.366 0.000 2.495 73 V HA 0.142 4.262 4.120 -0.000 0.000 0.298 73 V C -0.829 175.082 176.094 -0.306 0.000 1.031 73 V CA -1.111 61.080 62.300 -0.183 0.000 0.871 73 V CB 1.667 33.383 31.823 -0.179 0.000 0.988 73 V HN 0.792 nan 8.190 nan 0.000 0.432 74 D N 2.578 123.074 120.400 0.160 0.000 2.383 74 D HA 0.293 4.933 4.640 -0.000 0.000 0.252 74 D C 0.962 177.340 176.300 0.130 0.000 1.166 74 D CA 0.411 54.602 54.000 0.317 0.000 0.879 74 D CB 1.190 42.270 40.800 0.468 0.000 1.164 74 D HN 0.778 nan 8.370 nan 0.000 0.462 75 T N 1.079 115.689 114.554 0.093 0.000 3.084 75 T HA 0.035 4.385 4.350 -0.000 0.000 0.270 75 T C 1.450 176.130 174.700 -0.034 0.000 1.008 75 T CA -0.474 61.635 62.100 0.015 0.000 0.900 75 T CB -0.025 68.826 68.868 -0.029 0.000 1.084 75 T HN 0.274 nan 8.240 nan 0.000 0.538 76 L N 0.923 122.099 121.223 -0.079 0.000 1.970 76 L HA 0.178 4.518 4.340 -0.000 0.000 0.212 76 L C -0.189 176.393 176.870 -0.480 0.000 1.071 76 L CA 1.655 56.262 54.840 -0.387 0.000 0.751 76 L CB -0.487 41.170 42.059 -0.670 0.000 0.889 76 L HN 0.377 nan 8.230 nan 0.000 0.432 77 Y N 0.211 120.499 120.300 -0.019 0.000 2.805 77 Y HA 0.441 4.991 4.550 -0.000 0.000 0.339 77 Y C -2.203 173.725 175.900 0.046 0.000 1.012 77 Y CA -3.637 54.444 58.100 -0.032 0.000 1.262 77 Y CB -0.106 38.280 38.460 -0.124 0.000 1.100 77 Y HN 0.123 nan 8.280 nan 0.000 0.559 78 P HA 0.158 nan 4.420 nan 0.000 0.266 78 P C 0.982 178.337 177.300 0.092 0.000 1.215 78 P CA 1.243 64.395 63.100 0.087 0.000 0.763 78 P CB 0.824 32.548 31.700 0.041 0.000 0.806 79 G N 2.944 111.785 108.800 0.068 0.000 2.225 79 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.254 79 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.254 79 G C 0.037 174.967 174.900 0.050 0.000 0.988 79 G CA -0.408 44.715 45.100 0.037 0.000 0.625 79 G HN 0.538 nan 8.290 nan 0.000 0.527 80 F N 2.645 122.550 119.950 -0.074 0.000 2.472 80 F HA 0.503 5.030 4.527 -0.000 0.000 0.364 80 F C 1.432 177.122 175.800 -0.184 0.000 1.090 80 F CA 0.059 57.961 58.000 -0.162 0.000 1.188 80 F CB 0.863 39.734 39.000 -0.216 0.000 1.105 80 F HN 0.277 nan 8.300 nan 0.000 0.536 81 E N 3.967 123.703 120.200 -0.773 0.000 2.130 81 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 81 E C 2.110 178.187 176.600 -0.870 0.000 0.998 81 E CA 1.402 57.376 56.400 -0.710 0.000 0.806 81 E CB -0.306 29.056 29.700 -0.563 0.000 0.738 81 E HN 1.008 nan 8.360 nan 0.000 0.459 82 G N -0.200 107.545 108.800 -1.759 0.000 2.450 82 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.220 82 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.220 82 G C 1.610 176.560 174.900 0.083 0.000 1.130 82 G CA 1.648 46.097 45.100 -1.086 0.000 0.760 82 G HN 0.478 nan 8.290 nan 0.000 0.557 83 T N -1.913 112.698 114.554 0.095 0.000 3.046 83 T HA 0.147 4.497 4.350 -0.000 0.000 0.242 83 T C 1.929 176.800 174.700 0.285 0.000 1.018 83 T CA 0.658 63.093 62.100 0.559 0.000 1.131 83 T CB 0.037 69.268 68.868 0.606 0.000 0.904 83 T HN 0.085 nan 8.240 nan 0.000 0.459 84 E N 2.521 122.744 120.200 0.039 0.000 2.118 84 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 84 E C 2.278 178.779 176.600 -0.165 0.000 0.992 84 E CA 1.535 57.908 56.400 -0.044 0.000 0.804 84 E CB -0.594 29.045 29.700 -0.102 0.000 0.741 84 E HN 0.786 nan 8.360 nan 0.000 0.458 85 M N -2.137 117.253 119.600 -0.350 0.000 2.426 85 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 85 M C 1.463 177.344 176.300 -0.698 0.000 1.068 85 M CA 1.574 56.517 55.300 -0.595 0.000 1.066 85 M CB -0.625 31.485 32.600 -0.818 0.000 1.399 85 M HN 0.025 nan 8.290 nan 0.000 0.449 86 W N 0.761 122.003 121.300 -0.096 0.000 2.996 86 W HA 0.255 4.915 4.660 -0.000 0.000 0.270 86 W C 0.637 177.086 176.519 -0.117 0.000 1.280 86 W CA -0.962 56.313 57.345 -0.117 0.000 1.549 86 W CB -0.090 29.371 29.460 0.000 0.000 1.079 86 W HN 0.115 nan 8.180 nan 0.000 0.629 87 N N 1.327 120.073 118.700 0.076 0.000 2.444 87 N HA 0.115 4.855 4.740 -0.000 0.000 0.255 87 N C -2.415 173.043 175.510 -0.087 0.000 1.255 87 N CA -1.334 51.728 53.050 0.021 0.000 0.933 87 N CB -0.151 38.350 38.487 0.023 0.000 1.143 87 N HN -0.329 nan 8.380 nan 0.000 0.453 88 P HA 0.050 nan 4.420 nan 0.000 0.265 88 P C 0.172 177.383 177.300 -0.148 0.000 1.193 88 P CA 0.075 63.086 63.100 -0.148 0.000 0.765 88 P CB 0.322 31.938 31.700 -0.139 0.000 0.823 89 N N 1.915 120.508 118.700 -0.179 0.000 2.187 89 N HA 0.083 4.823 4.740 -0.000 0.000 0.212 89 N C 0.125 175.559 175.510 -0.127 0.000 1.152 89 N CA 0.054 53.010 53.050 -0.158 0.000 0.872 89 N CB 0.352 38.727 38.487 -0.187 0.000 1.025 89 N HN 0.115 nan 8.380 nan 0.000 0.514 90 R N 0.291 120.714 120.500 -0.128 0.000 2.888 90 R HA 0.390 4.730 4.340 -0.000 0.000 0.264 90 R C -0.383 175.865 176.300 -0.086 0.000 1.045 90 R CA -0.702 55.341 56.100 -0.095 0.000 0.962 90 R CB 0.761 31.004 30.300 -0.095 0.000 1.210 90 R HN 0.184 nan 8.270 nan 0.000 0.479 91 E N 0.868 121.030 120.200 -0.065 0.000 2.398 91 E HA 0.139 4.489 4.350 -0.000 0.000 0.263 91 E C -0.085 176.484 176.600 -0.052 0.000 1.046 91 E CA -0.123 56.245 56.400 -0.053 0.000 0.908 91 E CB 0.671 30.350 29.700 -0.035 0.000 0.963 91 E HN 0.196 nan 8.360 nan 0.000 0.431 92 L N 1.762 122.958 121.223 -0.046 0.000 2.436 92 L HA 0.279 4.619 4.340 -0.000 0.000 0.265 92 L C 0.338 177.254 176.870 0.075 0.000 1.168 92 L CA 0.170 54.985 54.840 -0.042 0.000 0.815 92 L CB 0.979 42.938 42.059 -0.167 0.000 1.109 92 L HN 0.451 nan 8.230 nan 0.000 0.462 93 S N 0.207 115.965 115.700 0.097 0.000 2.608 93 S HA 0.116 4.586 4.470 -0.000 0.000 0.285 93 S C -0.050 174.523 174.600 -0.045 0.000 1.108 93 S CA -0.692 57.535 58.200 0.046 0.000 0.858 93 S CB 1.203 64.407 63.200 0.006 0.000 1.077 93 S HN 0.745 nan 8.310 nan 0.000 0.450 94 E N 0.963 121.074 120.200 -0.148 0.000 2.427 94 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 94 E C -0.431 176.077 176.600 -0.153 0.000 1.028 94 E CA 0.353 56.613 56.400 -0.234 0.000 0.864 94 E CB 0.126 29.649 29.700 -0.295 0.000 0.813 94 E HN 0.492 nan 8.360 nan 0.000 0.514 95 D N 0.348 120.694 120.400 -0.090 0.000 2.500 95 D HA 0.039 4.679 4.640 -0.000 0.000 0.219 95 D C 0.032 176.366 176.300 0.057 0.000 1.137 95 D CA -0.431 53.539 54.000 -0.050 0.000 0.946 95 D CB 0.061 40.859 40.800 -0.004 0.000 1.022 95 D HN 0.108 nan 8.370 nan 0.000 0.518 96 c N 2.233 120.813 118.600 -0.035 0.000 3.772 96 c HA 0.376 4.946 4.570 -0.000 0.000 0.293 96 c C 0.690 174.715 174.090 -0.108 0.000 1.659 96 c CA -0.651 55.721 56.329 0.073 0.000 1.810 96 c CB -1.241 41.284 42.510 0.025 0.000 3.059 96 c HN 0.426 nan 8.230 nan 0.000 0.617 97 L N 2.584 123.471 121.223 -0.560 0.000 2.415 97 L HA 0.355 4.695 4.340 -0.000 0.000 0.269 97 L C -0.898 175.170 176.870 -1.335 0.000 1.244 97 L CA 0.767 55.069 54.840 -0.896 0.000 1.113 97 L CB -0.866 40.578 42.059 -1.026 0.000 1.352 97 L HN 0.386 nan 8.230 nan 0.000 0.433 98 Y N 1.854 122.111 120.300 -0.072 0.000 2.581 98 Y HA 0.664 5.213 4.550 -0.000 0.000 0.345 98 Y C -0.060 176.054 175.900 0.358 0.000 1.036 98 Y CA -1.264 56.901 58.100 0.107 0.000 1.042 98 Y CB 1.915 40.386 38.460 0.020 0.000 1.289 98 Y HN 0.199 nan 8.280 nan 0.000 0.471 99 L N -0.381 121.042 121.223 0.334 0.000 2.303 99 L HA 0.815 5.155 4.340 -0.000 0.000 0.256 99 L C -1.210 175.706 176.870 0.077 0.000 1.034 99 L CA -1.015 53.908 54.840 0.139 0.000 0.832 99 L CB 1.675 43.620 42.059 -0.190 0.000 1.403 99 L HN 0.448 nan 8.230 nan 0.000 0.419 100 N N -0.425 118.333 118.700 0.097 0.000 2.312 100 N HA 0.824 5.563 4.740 -0.000 0.000 0.296 100 N C -1.518 173.986 175.510 -0.011 0.000 1.193 100 N CA -0.448 52.580 53.050 -0.036 0.000 0.773 100 N CB 2.711 41.142 38.487 -0.094 0.000 1.435 100 N HN 0.525 nan 8.380 nan 0.000 0.484 101 V N 0.705 120.523 119.914 -0.159 0.000 2.733 101 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 101 V C -1.145 175.014 176.094 0.108 0.000 1.084 101 V CA -0.801 61.522 62.300 0.039 0.000 0.905 101 V CB 2.516 34.182 31.823 -0.262 0.000 1.010 101 V HN 0.545 nan 8.190 nan 0.000 0.424 102 W N 2.000 123.399 121.300 0.166 0.000 2.656 102 W HA 0.653 5.313 4.660 -0.000 0.000 0.327 102 W C -0.196 176.442 176.519 0.198 0.000 1.041 102 W CA -0.435 57.020 57.345 0.184 0.000 1.229 102 W CB 2.497 32.040 29.460 0.139 0.000 1.397 102 W HN 0.436 nan 8.180 nan 0.000 0.479 103 T N 4.521 119.351 114.554 0.460 0.000 2.906 103 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 103 T C -2.513 172.379 174.700 0.320 0.000 1.061 103 T CA -1.589 60.730 62.100 0.365 0.000 1.000 103 T CB 2.378 71.486 68.868 0.401 0.000 1.103 103 T HN 0.051 nan 8.240 nan 0.000 0.486 104 P HA 0.194 nan 4.420 nan 0.000 0.275 104 P C -1.528 175.926 177.300 0.258 0.000 1.227 104 P CA -0.383 62.845 63.100 0.214 0.000 0.781 104 P CB 0.506 32.294 31.700 0.146 0.000 0.906 105 Y N 5.538 125.898 120.300 0.100 0.000 2.367 105 Y HA 0.349 4.899 4.550 -0.000 0.000 0.342 105 Y C -1.944 173.993 175.900 0.062 0.000 0.979 105 Y CA -2.286 55.865 58.100 0.084 0.000 1.161 105 Y CB 0.705 39.204 38.460 0.065 0.000 1.155 105 Y HN 0.313 nan 8.280 nan 0.000 0.503 106 P HA 0.273 nan 4.420 nan 0.000 0.281 106 P C -0.752 176.536 177.300 -0.019 0.000 1.264 106 P CA -0.741 62.190 63.100 -0.281 0.000 0.824 106 P CB 1.247 32.733 31.700 -0.357 0.000 1.092 107 R N 1.424 121.947 120.500 0.039 0.000 2.538 107 R HA 0.013 4.353 4.340 -0.000 0.000 0.273 107 R C -1.532 174.794 176.300 0.043 0.000 0.967 107 R CA -0.527 55.621 56.100 0.080 0.000 1.101 107 R CB -0.399 29.938 30.300 0.061 0.000 0.908 107 R HN 0.449 nan 8.270 nan 0.000 0.411 108 P HA -0.079 nan 4.420 nan 0.000 0.266 108 P C -0.181 177.132 177.300 0.022 0.000 1.195 108 P CA 0.227 63.352 63.100 0.043 0.000 0.768 108 P CB 0.849 32.585 31.700 0.060 0.000 0.838 109 A N 3.679 126.505 122.820 0.010 0.000 1.873 109 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 109 A C 1.212 178.797 177.584 0.001 0.000 1.193 109 A CA 2.054 54.091 52.037 0.000 0.000 0.629 109 A CB -1.054 17.944 19.000 -0.003 0.000 0.826 109 A HN 0.768 nan 8.150 nan 0.000 0.447 110 S N -2.346 113.357 115.700 0.006 0.000 2.634 110 S HA 0.596 5.066 4.470 -0.000 0.000 0.296 110 S C -3.114 171.493 174.600 0.012 0.000 1.104 110 S CA -1.783 56.419 58.200 0.003 0.000 0.920 110 S CB 1.060 64.258 63.200 -0.003 0.000 1.111 110 S HN -0.027 nan 8.310 nan 0.000 0.493 111 P HA 0.023 nan 4.420 nan 0.000 0.212 111 P C -0.431 176.879 177.300 0.018 0.000 0.974 111 P CA 0.794 63.903 63.100 0.015 0.000 1.226 111 P CB -0.932 30.769 31.700 0.000 0.000 1.258 112 T N 6.037 120.614 114.554 0.037 0.000 2.919 112 T HA 0.205 4.555 4.350 -0.000 0.000 0.302 112 T C -1.990 172.736 174.700 0.044 0.000 1.031 112 T CA -1.092 61.032 62.100 0.040 0.000 1.127 112 T CB 0.100 69.005 68.868 0.061 0.000 0.952 112 T HN 0.219 nan 8.240 nan 0.000 0.540 113 P HA 0.162 nan 4.420 nan 0.000 0.271 113 P C -0.534 176.805 177.300 0.065 0.000 1.216 113 P CA -0.342 62.775 63.100 0.028 0.000 0.776 113 P CB 0.474 32.170 31.700 -0.007 0.000 0.881 114 V N 1.651 121.622 119.914 0.095 0.000 2.427 114 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 114 V C -0.250 175.937 176.094 0.155 0.000 1.034 114 V CA -0.900 61.481 62.300 0.136 0.000 0.893 114 V CB 1.205 33.125 31.823 0.161 0.000 0.982 114 V HN 0.212 nan 8.190 nan 0.000 0.452 115 L N 6.201 127.529 121.223 0.176 0.000 2.313 115 L HA 0.565 4.905 4.340 -0.000 0.000 0.273 115 L C -0.151 176.996 176.870 0.463 0.000 1.028 115 L CA -0.255 54.716 54.840 0.218 0.000 0.871 115 L CB 0.718 42.779 42.059 0.004 0.000 1.242 115 L HN 0.630 nan 8.230 nan 0.000 0.434 116 I N 3.599 124.446 120.570 0.462 0.000 2.337 116 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 116 I C -0.324 176.056 176.117 0.440 0.000 1.046 116 I CA -0.336 61.204 61.300 0.400 0.000 1.324 116 I CB 0.551 38.677 38.000 0.209 0.000 1.409 116 I HN 0.603 nan 8.210 nan 0.000 0.494 117 W N 8.817 130.196 121.300 0.132 0.000 2.351 117 W HA 0.512 5.172 4.660 -0.000 0.000 0.311 117 W C -1.429 174.953 176.519 -0.228 0.000 1.168 117 W CA -0.704 56.456 57.345 -0.308 0.000 1.200 117 W CB 1.109 30.371 29.460 -0.329 0.000 1.221 117 W HN 0.345 nan 8.180 nan 0.000 0.519 118 I N 9.440 129.261 120.570 -1.248 0.000 2.390 118 I HA 0.057 4.227 4.170 -0.000 0.000 0.283 118 I C -0.150 175.076 176.117 -1.485 0.000 1.016 118 I CA -1.107 59.541 61.300 -1.088 0.000 1.151 118 I CB 0.519 38.056 38.000 -0.771 0.000 1.293 118 I HN 0.320 nan 8.210 nan 0.000 0.458 119 Y N 4.562 124.368 120.300 -0.824 0.000 2.511 119 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 119 Y C 0.634 176.402 175.900 -0.220 0.000 1.257 119 Y CA -0.809 57.043 58.100 -0.414 0.000 1.469 119 Y CB 0.010 38.623 38.460 0.255 0.000 1.353 119 Y HN 0.499 nan 8.280 nan 0.000 0.617 120 G N -1.014 107.846 108.800 0.100 0.000 2.473 120 G HA2 0.550 4.509 3.960 -0.000 0.000 0.321 120 G HA3 0.550 4.509 3.960 -0.000 0.000 0.321 120 G C -0.193 174.660 174.900 -0.077 0.000 1.200 120 G CA -0.862 44.198 45.100 -0.066 0.000 0.963 120 G HN 1.477 nan 8.290 nan 0.000 0.483 121 G N -1.442 107.176 108.800 -0.303 0.000 4.504 121 G HA2 0.489 4.449 3.960 -0.000 0.000 0.229 121 G HA3 0.489 4.449 3.960 -0.000 0.000 0.229 121 G C 0.812 175.191 174.900 -0.868 0.000 3.132 121 G CA 0.853 45.639 45.100 -0.523 0.000 0.731 121 G HN 2.132 nan 8.290 nan 0.000 0.253 122 G N -0.014 108.257 108.800 -0.882 0.000 2.212 122 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.267 122 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.267 122 G C 0.898 175.508 174.900 -0.483 0.000 1.002 122 G CA 0.656 44.971 45.100 -1.308 0.000 0.729 122 G HN 1.549 nan 8.290 nan 0.000 0.517 123 F N -3.271 116.549 119.950 -0.217 0.000 2.871 123 F HA -0.302 4.224 4.527 -0.000 0.000 0.326 123 F C 1.417 177.318 175.800 0.167 0.000 0.675 123 F CA 2.183 60.193 58.000 0.016 0.000 1.188 123 F CB -2.000 36.899 39.000 -0.168 0.000 1.567 123 F HN 0.975 nan 8.300 nan 0.000 0.325 124 Y N -1.282 119.122 120.300 0.174 0.000 2.471 124 Y HA 0.642 5.192 4.550 -0.000 0.000 0.249 124 Y C 0.599 176.605 175.900 0.176 0.000 1.116 124 Y CA 0.259 58.474 58.100 0.193 0.000 1.240 124 Y CB -0.033 38.512 38.460 0.142 0.000 1.251 124 Y HN 0.090 nan 8.280 nan 0.000 0.527 125 S N -0.536 114.894 115.700 -0.450 0.000 2.752 125 S HA 0.888 5.357 4.470 -0.000 0.000 0.284 125 S C -0.118 174.338 174.600 -0.239 0.000 1.189 125 S CA -0.480 57.542 58.200 -0.297 0.000 0.835 125 S CB 1.441 64.406 63.200 -0.392 0.000 1.192 125 S HN 1.436 nan 8.310 nan 0.000 0.506 126 G N -0.711 107.932 108.800 -0.260 0.000 2.539 126 G HA2 0.530 4.489 3.960 -0.000 0.000 0.686 126 G HA3 0.530 4.489 3.960 -0.000 0.000 0.686 126 G C -0.604 173.670 174.900 -1.043 0.000 1.258 126 G CA -0.299 44.515 45.100 -0.477 0.000 0.846 126 G HN 2.234 nan 8.290 nan 0.000 0.647 127 A N -0.504 121.616 122.820 -1.167 0.000 2.547 127 A HA 0.977 5.297 4.320 -0.000 0.000 0.298 127 A C 0.741 178.124 177.584 -0.335 0.000 1.062 127 A CA 0.811 52.310 52.037 -0.896 0.000 0.748 127 A CB 0.857 19.588 19.000 -0.449 0.000 1.288 127 A HN 2.605 nan 8.150 nan 0.000 0.396 128 A N 0.950 123.815 122.820 0.076 0.000 2.076 128 A HA 0.028 4.348 4.320 -0.000 0.000 0.220 128 A C 1.939 179.504 177.584 -0.033 0.000 1.160 128 A CA 2.407 54.677 52.037 0.389 0.000 0.653 128 A CB -0.620 18.686 19.000 0.510 0.000 0.801 128 A HN 1.376 nan 8.150 nan 0.000 0.455 129 S N -0.264 115.173 115.700 -0.438 0.000 2.465 129 S HA 0.008 4.478 4.470 -0.000 0.000 0.241 129 S C 0.746 174.855 174.600 -0.817 0.000 1.000 129 S CA 0.184 57.701 58.200 -1.138 0.000 0.964 129 S CB -0.585 62.171 63.200 -0.739 0.000 0.763 129 S HN 0.522 nan 8.310 nan 0.000 0.512 130 L N 1.903 122.805 121.223 -0.534 0.000 2.483 130 L HA 0.015 4.355 4.340 -0.000 0.000 0.275 130 L C 1.304 177.886 176.870 -0.480 0.000 1.220 130 L CA -0.357 54.139 54.840 -0.572 0.000 0.833 130 L CB 0.286 41.825 42.059 -0.867 0.000 1.102 130 L HN 0.018 nan 8.230 nan 0.000 0.490 131 D N 0.672 120.816 120.400 -0.428 0.000 2.117 131 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 131 D C 1.926 178.019 176.300 -0.346 0.000 0.987 131 D CA 1.408 55.232 54.000 -0.293 0.000 0.829 131 D CB -0.033 40.609 40.800 -0.263 0.000 0.961 131 D HN 0.491 nan 8.370 nan 0.000 0.460 132 V N -1.400 118.186 119.914 -0.546 0.000 3.141 132 V HA -0.113 4.007 4.120 -0.000 0.000 0.265 132 V C 0.598 176.279 176.094 -0.688 0.000 1.126 132 V CA 0.951 62.935 62.300 -0.527 0.000 1.141 132 V CB -1.003 30.491 31.823 -0.547 0.000 0.743 132 V HN 0.088 nan 8.190 nan 0.000 0.492 133 Y N 0.408 120.181 120.300 -0.878 0.000 2.756 133 Y HA 0.471 5.021 4.550 -0.000 0.000 0.300 133 Y C 0.629 175.975 175.900 -0.922 0.000 1.113 133 Y CA -2.018 55.166 58.100 -1.528 0.000 1.291 133 Y CB -0.856 37.017 38.460 -0.980 0.000 1.175 133 Y HN 0.262 nan 8.280 nan 0.000 0.534 134 D N 0.796 120.956 120.400 -0.400 0.000 2.383 134 D HA 0.117 4.757 4.640 -0.000 0.000 0.245 134 D C 1.303 177.432 176.300 -0.285 0.000 1.263 134 D CA 0.126 54.040 54.000 -0.144 0.000 0.936 134 D CB 0.735 41.578 40.800 0.071 0.000 1.053 134 D HN 0.482 nan 8.370 nan 0.000 0.507 135 G N 3.931 112.111 108.800 -1.033 0.000 3.234 135 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.221 135 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.221 135 G C 1.455 175.801 174.900 -0.924 0.000 1.229 135 G CA -0.202 44.368 45.100 -0.882 0.000 0.909 135 G HN 0.521 nan 8.290 nan 0.000 0.510 136 R N -0.720 119.318 120.500 -0.771 0.000 2.073 136 R HA 0.013 4.353 4.340 -0.000 0.000 0.229 136 R C 1.539 177.646 176.300 -0.321 0.000 1.120 136 R CA 0.867 56.710 56.100 -0.428 0.000 0.967 136 R CB -0.652 29.431 30.300 -0.363 0.000 0.862 136 R HN 0.318 nan 8.270 nan 0.000 0.436 137 F N 1.953 121.848 119.950 -0.091 0.000 2.102 137 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 137 F C 2.270 178.028 175.800 -0.070 0.000 1.105 137 F CA 0.902 58.865 58.000 -0.062 0.000 1.239 137 F CB -0.618 38.336 39.000 -0.076 0.000 0.991 137 F HN -0.132 nan 8.300 nan 0.000 0.474 138 L N -0.460 120.811 121.223 0.078 0.000 2.549 138 L HA -0.130 4.210 4.340 -0.000 0.000 0.230 138 L C 2.147 179.022 176.870 0.007 0.000 1.162 138 L CA 0.764 55.595 54.840 -0.015 0.000 0.834 138 L CB -0.717 41.266 42.059 -0.126 0.000 0.947 138 L HN 0.234 nan 8.230 nan 0.000 0.452 139 A N -1.520 121.316 122.820 0.027 0.000 1.970 139 A HA -0.031 4.289 4.320 -0.000 0.000 0.204 139 A C 2.163 179.796 177.584 0.081 0.000 1.325 139 A CA 0.051 52.135 52.037 0.078 0.000 0.767 139 A CB -0.234 18.852 19.000 0.143 0.000 0.949 139 A HN 0.237 nan 8.150 nan 0.000 0.481 140 Q N 0.634 120.471 119.800 0.061 0.000 1.993 140 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 140 Q C 2.083 178.123 176.000 0.067 0.000 0.984 140 Q CA 2.498 58.340 55.803 0.064 0.000 0.837 140 Q CB -0.404 28.349 28.738 0.025 0.000 0.902 140 Q HN 0.342 nan 8.270 nan 0.000 0.423 141 V N 1.457 121.415 119.914 0.074 0.000 2.239 141 V HA -0.146 3.974 4.120 -0.000 0.000 0.242 141 V C 1.982 178.102 176.094 0.043 0.000 1.038 141 V CA 1.875 64.214 62.300 0.065 0.000 1.002 141 V CB -0.403 31.468 31.823 0.080 0.000 0.641 141 V HN 0.296 nan 8.190 nan 0.000 0.449 142 E N 0.164 120.384 120.200 0.034 0.000 2.489 142 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 142 E C 1.602 178.218 176.600 0.026 0.000 1.057 142 E CA 0.703 57.114 56.400 0.019 0.000 0.866 142 E CB -0.141 29.560 29.700 0.001 0.000 0.916 142 E HN 0.662 nan 8.360 nan 0.000 0.500 143 G N 1.605 110.431 108.800 0.043 0.000 2.305 143 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.287 143 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.287 143 G C 0.335 175.272 174.900 0.061 0.000 1.036 143 G CA 0.527 45.661 45.100 0.056 0.000 0.887 143 G HN 0.467 nan 8.290 nan 0.000 0.505 144 A N -0.887 121.970 122.820 0.061 0.000 2.306 144 A HA 0.801 5.121 4.320 -0.000 0.000 0.330 144 A C 0.289 177.943 177.584 0.117 0.000 1.146 144 A CA -0.341 51.736 52.037 0.068 0.000 0.827 144 A CB 1.738 20.756 19.000 0.030 0.000 1.178 144 A HN 1.086 nan 8.150 nan 0.000 0.490 145 V N 2.725 122.721 119.914 0.137 0.000 2.372 145 V HA 0.221 4.341 4.120 -0.000 0.000 0.261 145 V C -0.016 176.206 176.094 0.212 0.000 1.055 145 V CA 0.119 62.534 62.300 0.191 0.000 0.930 145 V CB 0.253 32.185 31.823 0.181 0.000 1.031 145 V HN 0.683 nan 8.190 nan 0.000 0.479 146 L N 6.650 128.041 121.223 0.280 0.000 2.272 146 L HA 0.638 4.978 4.340 -0.000 0.000 0.289 146 L C -0.618 176.548 176.870 0.493 0.000 1.032 146 L CA -0.211 54.831 54.840 0.337 0.000 0.810 146 L CB 1.521 43.716 42.059 0.226 0.000 1.205 146 L HN 0.425 nan 8.230 nan 0.000 0.422 147 V N 3.610 123.789 119.914 0.441 0.000 2.448 147 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 147 V C -0.282 176.090 176.094 0.464 0.000 1.025 147 V CA -0.456 62.090 62.300 0.410 0.000 0.859 147 V CB 1.709 33.681 31.823 0.248 0.000 0.988 147 V HN 0.824 nan 8.190 nan 0.000 0.431 148 S N 6.394 122.418 115.700 0.540 0.000 2.756 148 S HA 0.732 5.201 4.470 -0.000 0.000 0.303 148 S C -0.621 174.219 174.600 0.399 0.000 1.135 148 S CA -0.763 57.758 58.200 0.535 0.000 1.066 148 S CB 1.628 65.258 63.200 0.717 0.000 1.008 148 S HN 0.774 nan 8.310 nan 0.000 0.482 149 M N 2.064 121.816 119.600 0.255 0.000 2.613 149 M HA 0.654 5.134 4.480 -0.000 0.000 0.301 149 M C -1.477 175.071 176.300 0.415 0.000 1.205 149 M CA -0.224 55.206 55.300 0.216 0.000 0.950 149 M CB 0.701 33.235 32.600 -0.111 0.000 1.585 149 M HN 0.506 nan 8.290 nan 0.000 0.490 150 N N 2.053 121.056 118.700 0.505 0.000 2.399 150 N HA 0.600 5.340 4.740 -0.000 0.000 0.295 150 N C -1.526 174.296 175.510 0.520 0.000 1.048 150 N CA -0.079 53.324 53.050 0.589 0.000 0.886 150 N CB 1.035 39.760 38.487 0.396 0.000 1.185 150 N HN 0.674 nan 8.380 nan 0.000 0.487 151 Y N -1.428 119.044 120.300 0.286 0.000 2.545 151 Y HA 0.575 5.125 4.550 -0.000 0.000 0.348 151 Y C -0.001 176.022 175.900 0.205 0.000 1.002 151 Y CA -1.387 56.825 58.100 0.187 0.000 1.039 151 Y CB 0.912 39.411 38.460 0.065 0.000 1.271 151 Y HN 0.186 nan 8.280 nan 0.000 0.467 152 R N 2.276 122.842 120.500 0.110 0.000 2.404 152 R HA 0.392 4.732 4.340 -0.000 0.000 0.315 152 R C -0.041 176.299 176.300 0.066 0.000 1.032 152 R CA -0.120 56.005 56.100 0.040 0.000 0.992 152 R CB 0.335 30.647 30.300 0.020 0.000 0.959 152 R HN 0.722 nan 8.270 nan 0.000 0.428 153 V N 1.003 121.007 119.914 0.151 0.000 3.463 153 V HA 0.790 4.910 4.120 -0.000 0.000 0.302 153 V C 1.101 177.463 176.094 0.448 0.000 1.097 153 V CA -0.141 62.366 62.300 0.344 0.000 1.003 153 V CB 0.782 32.738 31.823 0.222 0.000 1.229 153 V HN 0.938 nan 8.190 nan 0.000 0.444 154 G N 1.135 110.234 108.800 0.498 0.000 2.581 154 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.291 154 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.291 154 G C 0.844 175.860 174.900 0.193 0.000 1.277 154 G CA 1.383 46.708 45.100 0.375 0.000 0.959 154 G HN 1.877 nan 8.290 nan 0.000 0.554 155 T N -0.391 113.986 114.554 -0.294 0.000 2.746 155 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 155 T C 2.124 176.623 174.700 -0.335 0.000 1.039 155 T CA 2.432 64.099 62.100 -0.722 0.000 1.142 155 T CB -0.346 67.916 68.868 -1.009 0.000 0.866 155 T HN 0.456 nan 8.240 nan 0.000 0.444 156 F N 2.219 122.230 119.950 0.101 0.000 2.126 156 F HA 0.131 4.658 4.527 -0.000 0.000 0.299 156 F C 2.796 178.599 175.800 0.004 0.000 1.096 156 F CA 0.942 58.992 58.000 0.083 0.000 1.255 156 F CB -1.225 37.782 39.000 0.013 0.000 0.997 156 F HN 0.307 nan 8.300 nan 0.000 0.479 157 G N -1.662 107.180 108.800 0.070 0.000 2.492 157 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.214 157 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.214 157 G C 1.006 175.396 174.900 -0.850 0.000 1.147 157 G CA 0.355 45.217 45.100 -0.397 0.000 0.809 157 G HN 0.357 nan 8.290 nan 0.000 0.533 158 F N -0.424 119.591 119.950 0.108 0.000 2.798 158 F HA 0.445 4.972 4.527 -0.000 0.000 0.328 158 F C 0.642 176.494 175.800 0.087 0.000 1.098 158 F CA -0.992 57.052 58.000 0.074 0.000 1.172 158 F CB 0.229 39.268 39.000 0.065 0.000 1.072 158 F HN -0.086 nan 8.300 nan 0.000 0.555 159 L N 2.111 123.339 121.223 0.008 0.000 2.540 159 L HA 0.429 4.768 4.340 -0.000 0.000 0.276 159 L C -0.044 176.753 176.870 -0.123 0.000 1.212 159 L CA 0.066 54.782 54.840 -0.206 0.000 0.893 159 L CB 0.303 41.886 42.059 -0.794 0.000 1.138 159 L HN 0.144 nan 8.230 nan 0.000 0.491 160 A N 5.458 128.272 122.820 -0.010 0.000 2.549 160 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 160 A C -1.506 176.055 177.584 -0.038 0.000 1.061 160 A CA -0.600 51.414 52.037 -0.038 0.000 0.690 160 A CB 1.487 20.504 19.000 0.028 0.000 1.287 160 A HN 0.575 nan 8.150 nan 0.000 0.402 161 L N 3.446 124.635 121.223 -0.057 0.000 2.408 161 L HA 0.374 4.714 4.340 -0.000 0.000 0.257 161 L C -2.187 174.673 176.870 -0.017 0.000 1.053 161 L CA -1.370 53.447 54.840 -0.039 0.000 0.922 161 L CB 1.445 43.471 42.059 -0.056 0.000 1.261 161 L HN 0.469 nan 8.230 nan 0.000 0.458 162 P HA 0.034 nan 4.420 nan 0.000 0.261 162 P C 0.959 178.264 177.300 0.007 0.000 1.165 162 P CA 1.224 64.328 63.100 0.007 0.000 0.759 162 P CB 0.849 32.554 31.700 0.008 0.000 0.772 163 G N 1.960 110.769 108.800 0.014 0.000 2.234 163 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.235 163 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.235 163 G C 0.348 175.256 174.900 0.014 0.000 0.997 163 G CA 0.296 45.405 45.100 0.015 0.000 0.623 163 G HN 0.906 nan 8.290 nan 0.000 0.514 164 S N -0.007 115.699 115.700 0.010 0.000 2.585 164 S HA 0.582 5.052 4.470 -0.000 0.000 0.273 164 S C 1.225 175.837 174.600 0.020 0.000 1.339 164 S CA 0.469 58.675 58.200 0.010 0.000 1.028 164 S CB 1.893 65.093 63.200 -0.001 0.000 0.906 164 S HN 0.435 nan 8.310 nan 0.000 0.528 165 R N 0.678 121.192 120.500 0.023 0.000 2.127 165 R HA 0.009 4.349 4.340 -0.000 0.000 0.217 165 R C 1.201 177.524 176.300 0.040 0.000 1.074 165 R CA 1.152 57.271 56.100 0.030 0.000 0.991 165 R CB -0.047 30.270 30.300 0.027 0.000 0.895 165 R HN 0.928 nan 8.270 nan 0.000 0.450 166 E N -0.887 119.339 120.200 0.043 0.000 2.476 166 E HA 0.124 4.474 4.350 -0.000 0.000 0.196 166 E C -0.503 176.160 176.600 0.106 0.000 1.029 166 E CA 0.081 56.523 56.400 0.070 0.000 0.896 166 E CB 1.253 30.997 29.700 0.073 0.000 1.012 166 E HN 0.162 nan 8.360 nan 0.000 0.475 167 A N 2.143 124.998 122.820 0.058 0.000 3.208 167 A HA 0.333 4.653 4.320 -0.000 0.000 0.252 167 A C -2.517 175.065 177.584 -0.004 0.000 1.225 167 A CA -0.736 51.316 52.037 0.026 0.000 0.980 167 A CB 0.707 19.635 19.000 -0.120 0.000 1.414 167 A HN -0.029 nan 8.150 nan 0.000 0.721 168 P HA 0.303 nan 4.420 nan 0.000 0.251 168 P C 0.894 178.209 177.300 0.025 0.000 1.223 168 P CA 1.391 64.506 63.100 0.025 0.000 0.796 168 P CB 0.388 32.113 31.700 0.040 0.000 1.068 169 G N 0.821 109.631 108.800 0.017 0.000 2.746 169 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.685 169 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.685 169 G C -0.032 174.864 174.900 -0.007 0.000 1.350 169 G CA -0.266 44.846 45.100 0.020 0.000 0.837 169 G HN 0.118 nan 8.290 nan 0.000 0.564 170 N N -2.556 116.148 118.700 0.006 0.000 2.863 170 N HA -0.293 4.447 4.740 -0.000 0.000 0.245 170 N C 1.902 177.272 175.510 -0.233 0.000 1.001 170 N CA 2.474 55.477 53.050 -0.078 0.000 0.901 170 N CB -1.681 36.673 38.487 -0.222 0.000 1.124 170 N HN 1.935 nan 8.380 nan 0.000 0.582 171 V N -2.386 117.392 119.914 -0.226 0.000 2.720 171 V HA -0.012 4.108 4.120 -0.000 0.000 0.256 171 V C 2.270 178.243 176.094 -0.201 0.000 1.082 171 V CA 2.314 64.521 62.300 -0.155 0.000 1.101 171 V CB -0.911 30.866 31.823 -0.076 0.000 0.693 171 V HN 0.292 nan 8.190 nan 0.000 0.479 172 G N 0.019 108.508 108.800 -0.518 0.000 2.471 172 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.219 172 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.219 172 G C 1.463 176.414 174.900 0.086 0.000 1.125 172 G CA 0.961 45.897 45.100 -0.273 0.000 0.775 172 G HN 0.545 nan 8.290 nan 0.000 0.548 173 L N -0.309 120.896 121.223 -0.031 0.000 2.168 173 L HA 0.197 4.536 4.340 -0.000 0.000 0.203 173 L C 2.709 179.656 176.870 0.129 0.000 1.078 173 L CA 0.210 55.028 54.840 -0.036 0.000 0.780 173 L CB -0.298 41.456 42.059 -0.508 0.000 0.939 173 L HN 0.126 nan 8.230 nan 0.000 0.451 174 L N -0.229 121.048 121.223 0.091 0.000 2.191 174 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 174 L C 2.002 178.995 176.870 0.205 0.000 1.103 174 L CA 0.840 55.814 54.840 0.224 0.000 0.769 174 L CB -0.642 41.517 42.059 0.167 0.000 0.908 174 L HN 0.295 nan 8.230 nan 0.000 0.438 175 D N 0.036 120.547 120.400 0.186 0.000 2.084 175 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 175 D C 2.329 178.791 176.300 0.269 0.000 0.990 175 D CA 1.181 55.357 54.000 0.294 0.000 0.826 175 D CB -0.154 40.828 40.800 0.305 0.000 0.971 175 D HN 0.340 nan 8.370 nan 0.000 0.453 176 Q N 0.092 119.982 119.800 0.150 0.000 2.061 176 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 176 Q C 2.265 178.233 176.000 -0.053 0.000 0.984 176 Q CA 1.270 57.069 55.803 -0.006 0.000 0.846 176 Q CB -0.139 28.593 28.738 -0.009 0.000 0.902 176 Q HN 0.212 nan 8.270 nan 0.000 0.421 177 R N 0.687 121.227 120.500 0.066 0.000 2.091 177 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 177 R C 2.221 178.540 176.300 0.032 0.000 1.136 177 R CA 1.040 57.139 56.100 -0.002 0.000 0.959 177 R CB -0.312 30.097 30.300 0.181 0.000 0.856 177 R HN 0.273 nan 8.270 nan 0.000 0.437 178 L N 0.760 122.053 121.223 0.117 0.000 2.083 178 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 178 L C 2.275 179.188 176.870 0.072 0.000 1.083 178 L CA 2.119 57.066 54.840 0.179 0.000 0.752 178 L CB -1.111 41.144 42.059 0.326 0.000 0.899 178 L HN 0.411 nan 8.230 nan 0.000 0.433 179 A N -0.499 122.158 122.820 -0.271 0.000 1.972 179 A HA -0.189 4.130 4.320 -0.000 0.000 0.219 179 A C 2.102 179.593 177.584 -0.155 0.000 1.169 179 A CA 1.174 52.817 52.037 -0.657 0.000 0.635 179 A CB -0.431 17.930 19.000 -1.065 0.000 0.810 179 A HN 0.404 nan 8.150 nan 0.000 0.446 180 L N -0.292 120.873 121.223 -0.097 0.000 2.005 180 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 180 L C 2.627 179.547 176.870 0.083 0.000 1.072 180 L CA 2.073 56.902 54.840 -0.018 0.000 0.744 180 L CB -1.057 40.938 42.059 -0.107 0.000 0.895 180 L HN 0.464 nan 8.230 nan 0.000 0.433 181 Q N -2.319 117.538 119.800 0.094 0.000 2.234 181 Q HA -0.277 4.063 4.340 -0.000 0.000 0.206 181 Q C 2.024 178.137 176.000 0.189 0.000 0.980 181 Q CA 1.887 57.764 55.803 0.124 0.000 0.869 181 Q CB -0.323 28.491 28.738 0.127 0.000 0.912 181 Q HN 0.621 nan 8.270 nan 0.000 0.436 182 W N -0.212 121.104 121.300 0.027 0.000 2.452 182 W HA -0.144 4.516 4.660 -0.000 0.000 0.313 182 W C 2.038 178.591 176.519 0.055 0.000 1.176 182 W CA 0.901 58.284 57.345 0.062 0.000 1.350 182 W CB -0.439 29.061 29.460 0.068 0.000 1.148 182 W HN -0.126 nan 8.180 nan 0.000 0.498 183 V N 1.189 121.420 119.914 0.529 0.000 2.370 183 V HA -0.370 3.750 4.120 -0.000 0.000 0.252 183 V C 2.350 178.502 176.094 0.098 0.000 1.068 183 V CA 2.608 65.115 62.300 0.346 0.000 1.061 183 V CB -0.727 31.267 31.823 0.284 0.000 0.656 183 V HN 0.358 nan 8.190 nan 0.000 0.455 184 Q N 1.261 121.113 119.800 0.087 0.000 1.856 184 Q HA -0.238 4.102 4.340 -0.000 0.000 0.233 184 Q C 1.939 177.923 176.000 -0.026 0.000 0.995 184 Q CA 2.547 58.378 55.803 0.046 0.000 0.877 184 Q CB -0.556 28.213 28.738 0.052 0.000 0.937 184 Q HN 0.887 nan 8.270 nan 0.000 0.423 185 E N -0.908 119.254 120.200 -0.064 0.000 2.482 185 E HA -0.078 4.272 4.350 -0.000 0.000 0.200 185 E C 0.178 176.629 176.600 -0.247 0.000 1.147 185 E CA 0.579 56.908 56.400 -0.119 0.000 0.912 185 E CB -0.072 29.576 29.700 -0.088 0.000 0.938 185 E HN 0.277 nan 8.360 nan 0.000 0.519 186 N N -0.485 118.015 118.700 -0.334 0.000 1.850 186 N HA 0.011 4.751 4.740 -0.000 0.000 0.230 186 N C 0.783 176.162 175.510 -0.218 0.000 1.419 186 N CA -0.042 52.715 53.050 -0.488 0.000 0.762 186 N CB 0.224 37.910 38.487 -1.335 0.000 1.047 186 N HN 0.117 nan 8.380 nan 0.000 0.503 187 I N 2.487 123.009 120.570 -0.079 0.000 2.546 187 I HA 0.057 4.227 4.170 -0.000 0.000 0.255 187 I C 2.212 178.460 176.117 0.219 0.000 1.163 187 I CA 0.741 62.138 61.300 0.162 0.000 1.457 187 I CB -0.301 37.778 38.000 0.132 0.000 1.092 187 I HN 0.093 nan 8.210 nan 0.000 0.434 188 A N 0.910 123.772 122.820 0.070 0.000 1.896 188 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 188 A C 2.456 180.043 177.584 0.004 0.000 1.206 188 A CA 2.304 54.358 52.037 0.028 0.000 0.647 188 A CB -1.487 17.498 19.000 -0.024 0.000 0.828 188 A HN 0.523 nan 8.150 nan 0.000 0.455 189 A N -2.355 120.423 122.820 -0.071 0.000 2.225 189 A HA 0.132 4.452 4.320 -0.000 0.000 0.215 189 A C 1.377 178.678 177.584 -0.473 0.000 1.164 189 A CA 1.194 53.064 52.037 -0.278 0.000 0.710 189 A CB -0.693 18.061 19.000 -0.411 0.000 0.780 189 A HN 0.516 nan 8.150 nan 0.000 0.473 190 F N -1.515 118.384 119.950 -0.085 0.000 2.678 190 F HA 0.391 4.918 4.527 -0.000 0.000 0.305 190 F C 1.659 177.457 175.800 -0.004 0.000 1.090 190 F CA 0.359 58.314 58.000 -0.075 0.000 1.272 190 F CB 0.353 39.314 39.000 -0.065 0.000 1.060 190 F HN 0.286 nan 8.300 nan 0.000 0.576 191 G N 0.606 109.475 108.800 0.115 0.000 2.132 191 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.228 191 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.228 191 G C 0.491 175.457 174.900 0.111 0.000 1.000 191 G CA -0.219 44.934 45.100 0.088 0.000 0.693 191 G HN 0.721 nan 8.290 nan 0.000 0.515 192 G N -0.695 108.191 108.800 0.143 0.000 2.412 192 G HA2 0.511 4.471 3.960 -0.000 0.000 0.318 192 G HA3 0.511 4.471 3.960 -0.000 0.000 0.318 192 G C -0.859 174.093 174.900 0.086 0.000 1.146 192 G CA -0.043 45.134 45.100 0.128 0.000 0.882 192 G HN 0.182 nan 8.290 nan 0.000 0.501 193 D N 1.476 121.918 120.400 0.070 0.000 2.380 193 D HA 0.274 4.914 4.640 -0.000 0.000 0.230 193 D C -1.172 175.165 176.300 0.061 0.000 1.154 193 D CA -2.323 51.702 54.000 0.042 0.000 0.859 193 D CB 1.918 42.724 40.800 0.010 0.000 1.045 193 D HN 0.077 nan 8.370 nan 0.000 0.495 194 P HA -0.052 nan 4.420 nan 0.000 0.239 194 P C 0.877 178.260 177.300 0.137 0.000 1.184 194 P CA 0.348 63.507 63.100 0.098 0.000 0.760 194 P CB 0.307 32.044 31.700 0.062 0.000 0.884 195 M N -0.689 118.926 119.600 0.026 0.000 2.414 195 M HA 0.089 4.568 4.480 -0.000 0.000 0.251 195 M C 0.864 176.871 176.300 -0.487 0.000 1.116 195 M CA 0.591 55.785 55.300 -0.175 0.000 1.056 195 M CB -0.291 32.208 32.600 -0.168 0.000 1.388 195 M HN -0.033 nan 8.290 nan 0.000 0.487 196 S N 0.344 115.969 115.700 -0.124 0.000 2.128 196 S HA 0.467 4.937 4.470 -0.000 0.000 0.157 196 S C -0.525 174.175 174.600 0.166 0.000 1.650 196 S CA -0.642 57.523 58.200 -0.057 0.000 1.269 196 S CB 0.219 63.370 63.200 -0.082 0.000 1.227 196 S HN -0.048 nan 8.310 nan 0.000 0.405 197 V N 2.928 123.103 119.914 0.435 0.000 2.368 197 V HA 0.402 4.522 4.120 -0.000 0.000 0.266 197 V C 0.146 176.434 176.094 0.323 0.000 1.045 197 V CA -0.066 62.434 62.300 0.333 0.000 0.899 197 V CB 0.949 32.949 31.823 0.296 0.000 1.006 197 V HN 0.787 nan 8.190 nan 0.000 0.470 198 T N 7.156 121.863 114.554 0.255 0.000 2.821 198 T HA 0.508 4.858 4.350 -0.000 0.000 0.307 198 T C -0.079 174.815 174.700 0.323 0.000 1.034 198 T CA -0.315 61.947 62.100 0.270 0.000 0.953 198 T CB 0.441 69.411 68.868 0.169 0.000 0.968 198 T HN 0.329 nan 8.240 nan 0.000 0.462 199 L N 4.518 125.928 121.223 0.312 0.000 2.397 199 L HA 0.605 4.944 4.340 -0.000 0.000 0.271 199 L C -0.284 176.833 176.870 0.412 0.000 1.148 199 L CA -0.586 54.401 54.840 0.246 0.000 0.825 199 L CB 0.244 42.275 42.059 -0.048 0.000 1.117 199 L HN 0.658 nan 8.230 nan 0.000 0.456 200 F N 0.846 120.862 119.950 0.111 0.000 2.630 200 F HA 0.813 5.340 4.527 -0.000 0.000 0.325 200 F C -0.500 175.271 175.800 -0.048 0.000 1.184 200 F CA -0.894 57.209 58.000 0.171 0.000 1.011 200 F CB 0.961 40.193 39.000 0.387 0.000 1.268 200 F HN 0.412 nan 8.300 nan 0.000 0.480 201 G N 2.637 111.237 108.800 -0.334 0.000 2.690 201 G HA2 0.530 4.490 3.960 -0.000 0.000 0.291 201 G HA3 0.530 4.490 3.960 -0.000 0.000 0.291 201 G C -2.245 172.386 174.900 -0.448 0.000 1.403 201 G CA -0.767 43.755 45.100 -0.963 0.000 0.864 201 G HN 0.797 nan 8.290 nan 0.000 0.480 202 E N -0.044 119.851 120.200 -0.507 0.000 2.281 202 E HA 0.590 4.939 4.350 -0.000 0.000 0.257 202 E C 1.089 177.600 176.600 -0.148 0.000 0.971 202 E CA 0.119 56.447 56.400 -0.119 0.000 0.839 202 E CB 2.054 31.790 29.700 0.061 0.000 1.238 202 E HN 0.565 nan 8.360 nan 0.000 0.412 203 S N 0.572 116.249 115.700 -0.038 0.000 4.105 203 S HA -0.401 4.068 4.470 -0.000 0.000 0.539 203 S C 1.470 176.110 174.600 0.067 0.000 1.658 203 S CA 2.496 60.752 58.200 0.092 0.000 3.958 203 S CB -1.438 61.754 63.200 -0.014 0.000 1.434 203 S HN 0.792 nan 8.310 nan 0.000 0.537 204 A N 0.808 123.538 122.820 -0.150 0.000 2.067 204 A HA 0.230 4.550 4.320 -0.000 0.000 0.219 204 A C 2.372 179.664 177.584 -0.486 0.000 1.158 204 A CA 1.998 53.764 52.037 -0.450 0.000 0.661 204 A CB -1.425 16.927 19.000 -1.081 0.000 0.801 204 A HN 1.276 nan 8.150 nan 0.000 0.452 205 G N -0.313 108.253 108.800 -0.390 0.000 2.402 205 G HA2 0.035 3.995 3.960 -0.000 0.000 0.216 205 G HA3 0.035 3.995 3.960 -0.000 0.000 0.216 205 G C 1.751 176.420 174.900 -0.384 0.000 1.162 205 G CA 1.251 46.053 45.100 -0.497 0.000 0.777 205 G HN 0.711 nan 8.290 nan 0.000 0.539 206 A N 1.444 124.109 122.820 -0.258 0.000 1.865 206 A HA 0.176 4.496 4.320 -0.000 0.000 0.217 206 A C 2.854 180.367 177.584 -0.118 0.000 1.191 206 A CA 2.540 54.498 52.037 -0.132 0.000 0.623 206 A CB -1.025 17.965 19.000 -0.015 0.000 0.826 206 A HN 0.900 nan 8.150 nan 0.000 0.444 207 A N -0.603 122.161 122.820 -0.092 0.000 1.948 207 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 207 A C 2.442 179.968 177.584 -0.097 0.000 1.177 207 A CA 2.296 54.273 52.037 -0.101 0.000 0.636 207 A CB -0.870 18.073 19.000 -0.095 0.000 0.815 207 A HN 0.483 nan 8.150 nan 0.000 0.449 208 S N -0.520 115.089 115.700 -0.152 0.000 2.338 208 S HA -0.130 4.340 4.470 -0.000 0.000 0.218 208 S C 1.928 176.318 174.600 -0.350 0.000 1.032 208 S CA 1.352 59.408 58.200 -0.240 0.000 0.999 208 S CB -0.653 62.337 63.200 -0.350 0.000 0.905 208 S HN 0.362 nan 8.310 nan 0.000 0.439 209 V N 1.992 121.752 119.914 -0.258 0.000 2.278 209 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 209 V C 2.621 178.624 176.094 -0.152 0.000 1.062 209 V CA 2.125 64.312 62.300 -0.188 0.000 1.038 209 V CB -1.650 30.096 31.823 -0.127 0.000 0.646 209 V HN 0.617 nan 8.190 nan 0.000 0.447 210 G N -0.667 108.060 108.800 -0.121 0.000 2.440 210 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 210 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 210 G C 1.499 176.369 174.900 -0.049 0.000 1.154 210 G CA 1.211 46.263 45.100 -0.081 0.000 0.767 210 G HN 0.387 nan 8.290 nan 0.000 0.552 211 M N 0.064 119.609 119.600 -0.092 0.000 2.159 211 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 211 M C 2.178 178.523 176.300 0.074 0.000 1.063 211 M CA 1.341 56.644 55.300 0.005 0.000 1.110 211 M CB -1.290 31.294 32.600 -0.027 0.000 1.374 211 M HN 0.419 nan 8.290 nan 0.000 0.411 212 H N 0.037 119.150 119.070 0.072 0.000 2.389 212 H HA -0.008 4.548 4.556 -0.000 0.000 0.299 212 H C 2.216 177.634 175.328 0.150 0.000 1.081 212 H CA 1.117 57.169 56.048 0.007 0.000 1.345 212 H CB 0.022 29.620 29.762 -0.274 0.000 1.393 212 H HN 0.276 nan 8.280 nan 0.000 0.520 213 I N 0.300 121.044 120.570 0.290 0.000 2.226 213 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 213 I C 1.409 177.704 176.117 0.298 0.000 1.100 213 I CA 0.671 62.220 61.300 0.415 0.000 1.374 213 I CB -0.001 38.150 38.000 0.251 0.000 1.057 213 I HN 0.273 nan 8.210 nan 0.000 0.413 214 L N -0.243 121.096 121.223 0.193 0.000 2.478 214 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 214 L C 1.185 178.113 176.870 0.098 0.000 1.140 214 L CA 0.987 55.931 54.840 0.173 0.000 0.842 214 L CB -1.038 41.094 42.059 0.121 0.000 0.953 214 L HN 0.048 nan 8.230 nan 0.000 0.452 215 S N -0.306 115.416 115.700 0.037 0.000 2.429 215 S HA 0.288 4.758 4.470 -0.000 0.000 0.302 215 S C 1.125 175.679 174.600 -0.077 0.000 1.115 215 S CA -0.630 57.482 58.200 -0.147 0.000 1.095 215 S CB 0.895 63.724 63.200 -0.618 0.000 0.987 215 S HN 0.001 nan 8.310 nan 0.000 0.474 216 L N 7.201 128.383 121.223 -0.068 0.000 1.971 216 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 216 L C -0.694 176.151 176.870 -0.041 0.000 1.072 216 L CA 2.034 56.853 54.840 -0.036 0.000 0.758 216 L CB -2.081 39.956 42.059 -0.037 0.000 0.889 216 L HN 0.504 nan 8.230 nan 0.000 0.433 217 P HA -0.134 nan 4.420 nan 0.000 0.217 217 P C 1.790 179.076 177.300 -0.023 0.000 1.148 217 P CA 1.498 64.565 63.100 -0.054 0.000 0.834 217 P CB 0.025 31.680 31.700 -0.075 0.000 0.783 218 S N -1.355 114.333 115.700 -0.020 0.000 2.453 218 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 218 S C 1.797 176.562 174.600 0.276 0.000 1.005 218 S CA 0.537 58.789 58.200 0.087 0.000 0.949 218 S CB -0.401 62.878 63.200 0.132 0.000 0.774 218 S HN 0.067 nan 8.310 nan 0.000 0.510 219 R N 2.266 122.864 120.500 0.164 0.000 2.097 219 R HA -0.068 4.272 4.340 -0.000 0.000 0.236 219 R C 2.432 178.590 176.300 -0.236 0.000 1.135 219 R CA 1.839 57.915 56.100 -0.040 0.000 0.934 219 R CB -1.713 28.546 30.300 -0.068 0.000 0.846 219 R HN 0.590 nan 8.270 nan 0.000 0.431 220 S N 0.739 116.372 115.700 -0.113 0.000 2.584 220 S HA -0.021 4.449 4.470 -0.000 0.000 0.240 220 S C 1.671 176.201 174.600 -0.117 0.000 0.975 220 S CA 0.701 58.829 58.200 -0.121 0.000 0.949 220 S CB -0.410 62.761 63.200 -0.049 0.000 0.761 220 S HN 0.284 nan 8.310 nan 0.000 0.536 221 L N -0.214 120.980 121.223 -0.049 0.000 2.766 221 L HA 0.497 4.837 4.340 -0.000 0.000 0.242 221 L C 0.037 176.945 176.870 0.063 0.000 1.136 221 L CA -0.447 54.409 54.840 0.026 0.000 0.933 221 L CB -0.060 42.043 42.059 0.073 0.000 1.241 221 L HN 0.465 nan 8.230 nan 0.000 0.522 222 F N -3.382 116.358 119.950 -0.349 0.000 2.711 222 F HA 0.521 5.048 4.527 -0.000 0.000 0.313 222 F C 0.215 175.661 175.800 -0.590 0.000 1.141 222 F CA -1.138 56.646 58.000 -0.359 0.000 0.941 222 F CB 0.931 39.873 39.000 -0.097 0.000 1.349 222 F HN -0.124 nan 8.300 nan 0.000 0.464 223 H N -1.223 117.829 119.070 -0.030 0.000 2.735 223 H HA 0.485 5.041 4.556 -0.000 0.000 0.250 223 H C -0.090 175.228 175.328 -0.015 0.000 0.948 223 H CA -0.148 55.820 56.048 -0.134 0.000 1.137 223 H CB 0.546 30.264 29.762 -0.074 0.000 1.440 223 H HN 0.364 nan 8.280 nan 0.000 0.444 224 R N 0.482 121.135 120.500 0.254 0.000 2.854 224 R HA 0.823 5.163 4.340 -0.000 0.000 0.271 224 R C -1.285 175.302 176.300 0.477 0.000 0.996 224 R CA -0.850 55.403 56.100 0.256 0.000 0.961 224 R CB 2.371 32.644 30.300 -0.046 0.000 1.182 224 R HN 0.213 nan 8.270 nan 0.000 0.479 225 A N 1.231 124.368 122.820 0.528 0.000 2.520 225 A HA 0.621 4.941 4.320 -0.000 0.000 0.298 225 A C -1.413 176.366 177.584 0.326 0.000 1.051 225 A CA -0.586 51.700 52.037 0.415 0.000 0.690 225 A CB 1.813 21.015 19.000 0.337 0.000 1.281 225 A HN 0.355 nan 8.150 nan 0.000 0.402 226 V N 2.079 122.159 119.914 0.276 0.000 2.540 226 V HA 0.568 4.688 4.120 -0.000 0.000 0.302 226 V C -1.137 175.093 176.094 0.227 0.000 1.035 226 V CA -0.376 62.049 62.300 0.207 0.000 0.873 226 V CB 1.482 33.547 31.823 0.403 0.000 0.992 226 V HN 0.699 nan 8.190 nan 0.000 0.428 227 L N 5.065 126.395 121.223 0.178 0.000 2.388 227 L HA 0.493 4.833 4.340 -0.000 0.000 0.267 227 L C -0.071 176.916 176.870 0.195 0.000 0.995 227 L CA -0.010 54.907 54.840 0.128 0.000 0.864 227 L CB 1.530 43.610 42.059 0.036 0.000 1.216 227 L HN 0.625 nan 8.230 nan 0.000 0.430 228 Q N 1.398 121.350 119.800 0.253 0.000 2.274 228 Q HA 0.421 4.761 4.340 -0.000 0.000 0.256 228 Q C 0.452 176.568 176.000 0.193 0.000 0.927 228 Q CA -0.589 55.408 55.803 0.323 0.000 0.939 228 Q CB 1.264 30.245 28.738 0.405 0.000 1.201 228 Q HN 0.564 nan 8.270 nan 0.000 0.426 229 S N 0.829 116.641 115.700 0.187 0.000 3.462 229 S HA -0.193 4.277 4.470 -0.000 0.000 0.370 229 S C 0.100 174.881 174.600 0.302 0.000 1.028 229 S CA 0.652 58.984 58.200 0.219 0.000 1.119 229 S CB -1.178 62.153 63.200 0.218 0.000 0.906 229 S HN 0.967 nan 8.310 nan 0.000 0.471 230 G N -0.496 108.428 108.800 0.208 0.000 2.655 230 G HA2 0.592 4.552 3.960 -0.000 0.000 0.296 230 G HA3 0.592 4.552 3.960 -0.000 0.000 0.296 230 G C -0.877 174.078 174.900 0.092 0.000 1.485 230 G CA 0.094 45.358 45.100 0.274 0.000 0.869 230 G HN 0.788 nan 8.290 nan 0.000 0.540 231 T N -1.175 113.378 114.554 -0.002 0.000 2.864 231 T HA 0.776 5.126 4.350 -0.000 0.000 0.299 231 T C -2.356 172.176 174.700 -0.280 0.000 1.166 231 T CA -1.486 60.528 62.100 -0.143 0.000 1.007 231 T CB 3.155 71.924 68.868 -0.166 0.000 1.219 231 T HN 0.282 nan 8.240 nan 0.000 0.506 232 P HA 0.064 nan 4.420 nan 0.000 0.240 232 P C 0.657 177.799 177.300 -0.264 0.000 1.190 232 P CA 0.423 63.386 63.100 -0.229 0.000 0.781 232 P CB 0.121 31.741 31.700 -0.134 0.000 0.931 233 N N -0.179 118.364 118.700 -0.262 0.000 2.299 233 N HA 0.008 4.748 4.740 -0.000 0.000 0.187 233 N C 1.144 176.472 175.510 -0.304 0.000 1.099 233 N CA 0.076 52.986 53.050 -0.233 0.000 0.867 233 N CB -0.643 37.748 38.487 -0.159 0.000 0.974 233 N HN -0.087 nan 8.380 nan 0.000 0.477 234 G N 2.253 110.774 108.800 -0.464 0.000 2.443 234 G HA2 0.040 3.999 3.960 -0.000 0.000 0.286 234 G HA3 0.040 3.999 3.960 -0.000 0.000 0.286 234 G C -1.200 173.421 174.900 -0.464 0.000 1.393 234 G CA -0.264 44.514 45.100 -0.538 0.000 1.080 234 G HN 0.191 nan 8.290 nan 0.000 0.566 235 P HA 0.097 nan 4.420 nan 0.000 0.264 235 P C 1.033 178.258 177.300 -0.125 0.000 1.259 235 P CA 0.638 63.580 63.100 -0.264 0.000 0.841 235 P CB 0.241 31.741 31.700 -0.333 0.000 1.232 236 W N -1.301 119.906 121.300 -0.156 0.000 2.940 236 W HA 0.528 5.188 4.660 -0.000 0.000 0.297 236 W C 1.047 177.655 176.519 0.147 0.000 1.149 236 W CA 0.440 57.783 57.345 -0.003 0.000 1.564 236 W CB -0.815 28.699 29.460 0.090 0.000 1.010 236 W HN -0.187 nan 8.180 nan 0.000 0.578 237 A N 1.957 124.450 122.820 -0.545 0.000 2.168 237 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 237 A C 1.107 178.591 177.584 -0.166 0.000 1.152 237 A CA 1.820 53.641 52.037 -0.359 0.000 0.716 237 A CB -0.808 17.693 19.000 -0.832 0.000 0.794 237 A HN 0.275 nan 8.150 nan 0.000 0.465 238 T N -3.564 110.888 114.554 -0.171 0.000 2.843 238 T HA 0.599 4.948 4.350 -0.000 0.000 0.302 238 T C -0.715 173.921 174.700 -0.106 0.000 1.232 238 T CA -0.103 61.899 62.100 -0.163 0.000 1.009 238 T CB 1.418 70.192 68.868 -0.157 0.000 1.254 238 T HN 0.991 nan 8.240 nan 0.000 0.504 239 V N -1.007 118.848 119.914 -0.099 0.000 3.040 239 V HA 0.929 5.049 4.120 -0.000 0.000 0.312 239 V C 0.285 176.344 176.094 -0.058 0.000 1.115 239 V CA -0.683 61.574 62.300 -0.072 0.000 0.998 239 V CB 1.338 33.115 31.823 -0.077 0.000 1.042 239 V HN 1.417 nan 8.190 nan 0.000 0.433 240 S N 1.833 117.506 115.700 -0.045 0.000 2.641 240 S HA 0.675 5.145 4.470 -0.000 0.000 0.261 240 S C 1.392 175.977 174.600 -0.024 0.000 1.257 240 S CA 0.071 58.253 58.200 -0.031 0.000 0.983 240 S CB 1.100 64.284 63.200 -0.026 0.000 0.990 240 S HN 1.901 nan 8.310 nan 0.000 0.572 241 A N 1.081 123.893 122.820 -0.014 0.000 1.845 241 A HA 0.153 4.473 4.320 -0.000 0.000 0.215 241 A C 2.301 179.879 177.584 -0.010 0.000 1.195 241 A CA 1.728 53.761 52.037 -0.007 0.000 0.616 241 A CB -2.019 16.981 19.000 -0.001 0.000 0.832 241 A HN 1.173 nan 8.150 nan 0.000 0.443 242 G N -0.608 108.185 108.800 -0.011 0.000 2.513 242 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 242 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 242 G C 1.507 176.397 174.900 -0.017 0.000 1.160 242 G CA 1.251 46.344 45.100 -0.012 0.000 0.767 242 G HN 0.466 nan 8.290 nan 0.000 0.571 243 E N 0.666 120.851 120.200 -0.026 0.000 2.072 243 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 243 E C 2.993 179.566 176.600 -0.046 0.000 0.985 243 E CA 0.995 57.372 56.400 -0.039 0.000 0.801 243 E CB -0.505 29.165 29.700 -0.049 0.000 0.750 243 E HN 0.327 nan 8.360 nan 0.000 0.452 244 A N 1.402 124.201 122.820 -0.034 0.000 1.883 244 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 244 A C 2.256 179.851 177.584 0.017 0.000 1.186 244 A CA 2.029 54.058 52.037 -0.013 0.000 0.624 244 A CB -0.549 18.455 19.000 0.008 0.000 0.822 244 A HN 0.201 nan 8.150 nan 0.000 0.444 245 R N -0.625 119.878 120.500 0.004 0.000 2.070 245 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 245 R C 2.454 178.757 176.300 0.006 0.000 1.138 245 R CA 1.632 57.734 56.100 0.003 0.000 0.936 245 R CB -0.411 29.887 30.300 -0.005 0.000 0.839 245 R HN 0.455 nan 8.270 nan 0.000 0.429 246 R N 0.617 121.114 120.500 -0.004 0.000 2.154 246 R HA -0.176 4.163 4.340 -0.000 0.000 0.248 246 R C 1.860 178.163 176.300 0.004 0.000 1.155 246 R CA 1.980 58.078 56.100 -0.004 0.000 0.979 246 R CB -0.078 30.214 30.300 -0.013 0.000 0.869 246 R HN 0.351 nan 8.270 nan 0.000 0.452 247 R N -0.881 119.619 120.500 0.001 0.000 2.173 247 R HA 0.116 4.456 4.340 -0.000 0.000 0.208 247 R C 2.227 178.639 176.300 0.186 0.000 1.035 247 R CA 0.706 56.815 56.100 0.015 0.000 1.004 247 R CB -0.017 30.165 30.300 -0.197 0.000 0.917 247 R HN 0.173 nan 8.270 nan 0.000 0.462 248 A N 1.290 124.212 122.820 0.170 0.000 1.832 248 A HA -0.165 4.154 4.320 -0.000 0.000 0.214 248 A C 2.320 179.915 177.584 0.018 0.000 1.204 248 A CA 1.988 54.092 52.037 0.111 0.000 0.606 248 A CB -1.242 17.762 19.000 0.006 0.000 0.849 248 A HN 0.409 nan 8.150 nan 0.000 0.445 249 T N -0.984 113.571 114.554 0.001 0.000 2.653 249 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 249 T C 1.797 176.496 174.700 -0.002 0.000 1.035 249 T CA 1.922 64.015 62.100 -0.013 0.000 1.154 249 T CB -0.801 68.061 68.868 -0.010 0.000 0.862 249 T HN 0.360 nan 8.240 nan 0.000 0.441 250 L N 1.036 122.271 121.223 0.019 0.000 2.012 250 L HA 0.126 4.466 4.340 -0.000 0.000 0.210 250 L C 2.519 179.401 176.870 0.021 0.000 1.073 250 L CA 1.899 56.751 54.840 0.021 0.000 0.748 250 L CB -1.094 40.987 42.059 0.036 0.000 0.891 250 L HN 0.412 nan 8.230 nan 0.000 0.431 251 L N -0.307 120.954 121.223 0.064 0.000 2.012 251 L HA -0.146 4.193 4.340 -0.000 0.000 0.210 251 L C 2.527 179.377 176.870 -0.033 0.000 1.073 251 L CA 2.038 56.907 54.840 0.049 0.000 0.748 251 L CB -0.786 41.336 42.059 0.107 0.000 0.891 251 L HN 0.337 nan 8.230 nan 0.000 0.431 252 A N -0.124 122.669 122.820 -0.045 0.000 1.859 252 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 252 A C 2.487 180.039 177.584 -0.052 0.000 1.198 252 A CA 2.223 54.226 52.037 -0.058 0.000 0.629 252 A CB -0.894 18.069 19.000 -0.063 0.000 0.830 252 A HN 0.536 nan 8.150 nan 0.000 0.446 253 R N -0.519 119.955 120.500 -0.045 0.000 2.113 253 R HA -0.175 4.165 4.340 -0.000 0.000 0.244 253 R C 2.059 178.312 176.300 -0.078 0.000 1.142 253 R CA 1.948 58.021 56.100 -0.045 0.000 0.953 253 R CB -0.504 29.777 30.300 -0.030 0.000 0.860 253 R HN 0.586 nan 8.270 nan 0.000 0.438 254 L N -0.353 120.792 121.223 -0.131 0.000 2.191 254 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 254 L C 2.093 178.772 176.870 -0.319 0.000 1.103 254 L CA 0.630 55.302 54.840 -0.281 0.000 0.769 254 L CB -0.128 41.637 42.059 -0.489 0.000 0.908 254 L HN 0.108 nan 8.230 nan 0.000 0.438 255 V N -0.148 119.659 119.914 -0.179 0.000 3.633 255 V HA 0.189 4.309 4.120 -0.000 0.000 0.283 255 V C 1.337 177.419 176.094 -0.020 0.000 1.305 255 V CA 0.958 63.224 62.300 -0.056 0.000 1.153 255 V CB -0.117 31.711 31.823 0.009 0.000 0.950 255 V HN 0.705 nan 8.190 nan 0.000 0.432 256 G N -0.297 108.481 108.800 -0.037 0.000 2.132 256 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.228 256 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.228 256 G C 0.082 174.976 174.900 -0.010 0.000 1.000 256 G CA 0.027 45.117 45.100 -0.015 0.000 0.693 256 G HN 0.503 nan 8.290 nan 0.000 0.515 257 c N 2.503 121.093 118.600 -0.017 0.000 2.293 257 c HA 0.681 5.251 4.570 -0.000 0.000 0.323 257 c C -1.375 172.705 174.090 -0.017 0.000 1.240 257 c CA -1.419 54.903 56.329 -0.011 0.000 1.497 257 c CB 1.635 44.141 42.510 -0.006 0.000 2.171 257 c HN 0.453 nan 8.230 nan 0.000 0.465 258 P HA 0.397 nan 4.420 nan 0.000 0.281 258 P C -2.787 174.510 177.300 -0.005 0.000 1.264 258 P CA -1.493 61.603 63.100 -0.005 0.000 0.824 258 P CB 0.559 32.257 31.700 -0.003 0.000 1.092 259 P HA 0.229 nan 4.420 nan 0.000 0.278 259 P C 0.511 177.811 177.300 -0.000 0.000 1.238 259 P CA 0.779 63.879 63.100 -0.000 0.000 0.794 259 P CB 0.274 31.975 31.700 0.003 0.000 0.955 260 G N 2.141 110.941 108.800 -0.000 0.000 2.645 260 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.239 260 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.239 260 G C 0.537 175.437 174.900 -0.001 0.000 1.331 260 G CA -0.254 44.846 45.100 0.000 0.000 0.890 260 G HN 0.718 nan 8.290 nan 0.000 0.572 261 G N 0.037 108.836 108.800 -0.000 0.000 3.440 261 G HA2 0.679 4.639 3.960 -0.000 0.000 0.263 261 G HA3 0.679 4.639 3.960 -0.000 0.000 0.263 261 G C 0.618 175.517 174.900 -0.001 0.000 1.236 261 G CA 1.363 46.463 45.100 -0.001 0.000 0.927 261 G HN 1.780 nan 8.290 nan 0.000 0.530 262 A N -0.499 122.321 122.820 -0.001 0.000 2.286 262 A HA 0.945 5.264 4.320 -0.000 0.000 0.286 262 A C 0.636 178.219 177.584 -0.002 0.000 1.097 262 A CA 0.236 52.272 52.037 -0.001 0.000 0.821 262 A CB 1.063 20.063 19.000 0.000 0.000 1.076 262 A HN 1.393 nan 8.150 nan 0.000 0.490 263 G N -2.121 106.678 108.800 -0.002 0.000 2.320 263 G HA2 0.556 4.515 3.960 -0.000 0.000 0.297 263 G HA3 0.556 4.515 3.960 -0.000 0.000 0.297 263 G C 0.381 175.280 174.900 -0.002 0.000 1.344 263 G CA 0.697 45.795 45.100 -0.003 0.000 0.851 263 G HN 2.331 nan 8.290 nan 0.000 0.567 264 G N -0.754 108.044 108.800 -0.003 0.000 2.218 264 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 264 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 264 G C 0.148 175.047 174.900 -0.002 0.000 0.994 264 G CA 0.701 45.800 45.100 -0.002 0.000 0.637 264 G HN 1.348 nan 8.290 nan 0.000 0.505 265 N N 0.761 119.460 118.700 -0.002 0.000 2.483 265 N HA 0.357 5.097 4.740 -0.000 0.000 0.267 265 N C 0.163 175.672 175.510 -0.002 0.000 0.998 265 N CA -0.304 52.746 53.050 -0.000 0.000 0.918 265 N CB 1.433 39.922 38.487 0.002 0.000 1.215 265 N HN -0.009 nan 8.380 nan 0.000 0.500 266 D N 1.716 122.114 120.400 -0.004 0.000 2.144 266 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 266 D C 1.315 177.613 176.300 -0.003 0.000 0.978 266 D CA 1.475 55.469 54.000 -0.010 0.000 0.833 266 D CB 0.117 40.910 40.800 -0.012 0.000 0.961 266 D HN 0.559 nan 8.370 nan 0.000 0.470 267 T N 1.353 115.911 114.554 0.005 0.000 2.684 267 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 267 T C 1.807 176.518 174.700 0.018 0.000 1.036 267 T CA 1.251 63.360 62.100 0.015 0.000 1.148 267 T CB -0.278 68.599 68.868 0.015 0.000 0.863 267 T HN 0.319 nan 8.240 nan 0.000 0.436 268 E N 0.688 120.895 120.200 0.012 0.000 2.110 268 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 268 E C 2.231 178.839 176.600 0.013 0.000 0.988 268 E CA 0.565 56.972 56.400 0.012 0.000 0.804 268 E CB -0.277 29.427 29.700 0.008 0.000 0.745 268 E HN 0.364 nan 8.360 nan 0.000 0.458 269 L N 1.071 122.296 121.223 0.004 0.000 2.046 269 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 269 L C 2.123 178.995 176.870 0.003 0.000 1.077 269 L CA 0.918 55.755 54.840 -0.005 0.000 0.747 269 L CB -0.021 42.025 42.059 -0.021 0.000 0.896 269 L HN 0.163 nan 8.230 nan 0.000 0.432 270 I N -0.219 120.360 120.570 0.014 0.000 2.333 270 I HA -0.162 4.008 4.170 -0.000 0.000 0.246 270 I C 2.856 179.045 176.117 0.120 0.000 1.106 270 I CA 1.235 62.575 61.300 0.066 0.000 1.411 270 I CB -1.818 36.232 38.000 0.083 0.000 1.082 270 I HN 0.241 nan 8.210 nan 0.000 0.420 271 A N 0.679 123.541 122.820 0.071 0.000 1.892 271 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 271 A C 2.684 180.298 177.584 0.051 0.000 1.188 271 A CA 2.200 54.270 52.037 0.055 0.000 0.631 271 A CB -1.419 17.600 19.000 0.032 0.000 0.822 271 A HN 0.571 nan 8.150 nan 0.000 0.447 272 c N -0.813 117.813 118.600 0.043 0.000 2.429 272 c HA -0.039 4.531 4.570 -0.000 0.000 0.277 272 c C 2.608 176.729 174.090 0.051 0.000 1.262 272 c CA 1.212 57.561 56.329 0.034 0.000 1.733 272 c CB -1.558 40.964 42.510 0.020 0.000 2.010 272 c HN 0.598 nan 8.230 nan 0.000 0.483 273 L N 0.076 121.351 121.223 0.087 0.000 2.093 273 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 273 L C 2.935 179.906 176.870 0.168 0.000 1.085 273 L CA 1.305 56.230 54.840 0.143 0.000 0.755 273 L CB -0.587 41.590 42.059 0.198 0.000 0.904 273 L HN 0.312 nan 8.230 nan 0.000 0.435 274 R N -0.757 119.830 120.500 0.144 0.000 2.285 274 R HA -0.121 4.219 4.340 -0.000 0.000 0.213 274 R C 2.024 178.312 176.300 -0.021 0.000 1.068 274 R CA 1.554 57.660 56.100 0.010 0.000 1.004 274 R CB -0.170 30.127 30.300 -0.006 0.000 0.873 274 R HN 0.478 nan 8.270 nan 0.000 0.467 275 T N -2.117 112.442 114.554 0.009 0.000 3.044 275 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 275 T C 0.780 175.477 174.700 -0.003 0.000 1.081 275 T CA -0.324 61.773 62.100 -0.005 0.000 1.040 275 T CB 0.276 69.146 68.868 0.003 0.000 0.962 275 T HN -0.142 nan 8.240 nan 0.000 0.506 276 R N 2.801 123.309 120.500 0.013 0.000 2.389 276 R HA 0.377 4.717 4.340 -0.000 0.000 0.295 276 R C -2.645 173.654 176.300 -0.001 0.000 1.075 276 R CA -2.452 53.659 56.100 0.018 0.000 1.005 276 R CB -0.130 30.195 30.300 0.042 0.000 0.987 276 R HN 0.279 nan 8.270 nan 0.000 0.452 277 P HA -0.069 nan 4.420 nan 0.000 0.266 277 P C 0.346 177.610 177.300 -0.061 0.000 1.193 277 P CA 0.325 63.392 63.100 -0.055 0.000 0.770 277 P CB 0.565 32.243 31.700 -0.036 0.000 0.836 278 A N 2.709 125.410 122.820 -0.199 0.000 1.873 278 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 278 A C 2.119 179.690 177.584 -0.021 0.000 1.193 278 A CA 2.012 53.908 52.037 -0.234 0.000 0.629 278 A CB -1.417 16.945 19.000 -1.063 0.000 0.826 278 A HN 0.547 nan 8.150 nan 0.000 0.447 279 Q N 0.029 119.782 119.800 -0.079 0.000 2.368 279 Q HA -0.173 4.167 4.340 -0.000 0.000 0.210 279 Q C 1.162 177.257 176.000 0.158 0.000 0.982 279 Q CA 1.935 57.878 55.803 0.234 0.000 0.884 279 Q CB -0.513 28.347 28.738 0.204 0.000 0.933 279 Q HN 0.668 nan 8.270 nan 0.000 0.460 280 D N -1.092 119.367 120.400 0.098 0.000 2.097 280 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 280 D C 1.382 177.750 176.300 0.114 0.000 0.989 280 D CA 0.893 54.951 54.000 0.097 0.000 0.827 280 D CB 0.004 40.855 40.800 0.086 0.000 0.966 280 D HN 0.210 nan 8.370 nan 0.000 0.456 281 L N 0.385 121.667 121.223 0.098 0.000 2.017 281 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 281 L C 2.510 179.393 176.870 0.022 0.000 1.073 281 L CA 0.946 55.797 54.840 0.018 0.000 0.745 281 L CB -1.377 40.596 42.059 -0.145 0.000 0.894 281 L HN 0.026 nan 8.230 nan 0.000 0.432 282 V N 0.118 120.120 119.914 0.147 0.000 2.568 282 V HA -0.275 3.845 4.120 -0.000 0.000 0.253 282 V C 2.227 178.370 176.094 0.081 0.000 1.072 282 V CA 1.542 63.949 62.300 0.178 0.000 1.084 282 V CB -0.604 31.434 31.823 0.359 0.000 0.676 282 V HN 0.387 nan 8.190 nan 0.000 0.469 283 D N -0.970 119.430 120.400 0.001 0.000 2.178 283 D HA -0.111 4.528 4.640 -0.000 0.000 0.202 283 D C 1.758 177.756 176.300 -0.503 0.000 0.974 283 D CA 1.207 55.095 54.000 -0.186 0.000 0.841 283 D CB -0.158 40.490 40.800 -0.253 0.000 0.953 283 D HN 0.531 nan 8.370 nan 0.000 0.478 284 H N -0.152 118.814 119.070 -0.173 0.000 2.542 284 H HA 0.164 4.720 4.556 -0.000 0.000 0.283 284 H C 1.427 176.609 175.328 -0.244 0.000 1.059 284 H CA -0.117 55.715 56.048 -0.360 0.000 1.162 284 H CB 0.698 30.377 29.762 -0.139 0.000 1.539 284 H HN 0.287 nan 8.280 nan 0.000 0.543 285 E N 0.603 120.712 120.200 -0.151 0.000 2.070 285 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 285 E C 0.817 177.240 176.600 -0.294 0.000 1.004 285 E CA 1.253 57.516 56.400 -0.228 0.000 0.805 285 E CB 0.071 29.465 29.700 -0.510 0.000 0.744 285 E HN 0.494 nan 8.360 nan 0.000 0.451 286 W N -0.742 120.573 121.300 0.024 0.000 3.180 286 W HA 0.055 4.714 4.660 -0.000 0.000 0.254 286 W C 1.479 178.145 176.519 0.245 0.000 1.318 286 W CA 0.062 57.455 57.345 0.080 0.000 1.608 286 W CB 0.109 29.593 29.460 0.041 0.000 1.124 286 W HN 0.225 nan 8.180 nan 0.000 0.694 287 H N -0.423 118.799 119.070 0.253 0.000 2.539 287 H HA 0.003 4.559 4.556 -0.000 0.000 0.267 287 H C 1.921 177.325 175.328 0.126 0.000 0.982 287 H CA 0.649 56.814 56.048 0.194 0.000 1.146 287 H CB 0.284 30.186 29.762 0.233 0.000 1.382 287 H HN 0.138 nan 8.280 nan 0.000 0.577 288 V N -1.300 118.736 119.914 0.204 0.000 3.647 288 V HA 0.160 4.280 4.120 -0.000 0.000 0.279 288 V C 0.613 176.721 176.094 0.024 0.000 1.314 288 V CA -0.051 62.301 62.300 0.087 0.000 1.125 288 V CB -0.489 31.359 31.823 0.042 0.000 0.907 288 V HN 0.142 nan 8.190 nan 0.000 0.434 289 L N 2.590 123.854 121.223 0.068 0.000 2.416 289 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 289 L C -0.318 176.568 176.870 0.026 0.000 1.161 289 L CA -1.010 53.853 54.840 0.038 0.000 0.845 289 L CB 1.096 43.206 42.059 0.086 0.000 1.119 289 L HN 0.156 nan 8.230 nan 0.000 0.464 290 P HA -0.053 nan 4.420 nan 0.000 0.229 290 P C -0.397 176.904 177.300 0.001 0.000 1.160 290 P CA 0.849 63.949 63.100 -0.000 0.000 0.777 290 P CB 0.626 32.319 31.700 -0.012 0.000 0.814 291 Q N -1.265 118.535 119.800 0.001 0.000 2.511 291 Q HA 0.331 4.671 4.340 -0.000 0.000 0.289 291 Q C -0.781 175.216 176.000 -0.005 0.000 1.021 291 Q CA -0.715 55.086 55.803 -0.004 0.000 0.785 291 Q CB 1.333 30.065 28.738 -0.010 0.000 1.472 291 Q HN -0.067 nan 8.270 nan 0.000 0.411 292 E N 0.983 121.177 120.200 -0.010 0.000 2.344 292 E HA 0.427 4.777 4.350 -0.000 0.000 0.270 292 E C -0.891 175.691 176.600 -0.030 0.000 1.021 292 E CA 0.193 56.582 56.400 -0.018 0.000 0.887 292 E CB 0.460 30.150 29.700 -0.018 0.000 0.997 292 E HN 0.644 nan 8.360 nan 0.000 0.429 293 S N 3.413 119.086 115.700 -0.046 0.000 2.703 293 S HA 0.618 5.088 4.470 -0.000 0.000 0.273 293 S C -0.677 173.870 174.600 -0.089 0.000 1.178 293 S CA -0.974 57.190 58.200 -0.061 0.000 0.838 293 S CB 0.498 63.661 63.200 -0.062 0.000 1.178 293 S HN 0.567 nan 8.310 nan 0.000 0.494 294 I N -3.466 117.051 120.570 -0.089 0.000 2.894 294 I HA 0.806 4.976 4.170 -0.000 0.000 0.302 294 I C -0.485 175.573 176.117 -0.098 0.000 1.188 294 I CA -1.132 60.117 61.300 -0.085 0.000 1.014 294 I CB 1.556 39.554 38.000 -0.004 0.000 1.242 294 I HN 0.794 nan 8.210 nan 0.000 0.430 295 F N 1.790 121.533 119.950 -0.346 0.000 3.074 295 F HA -0.198 4.329 4.527 -0.000 0.000 0.287 295 F C -0.157 175.152 175.800 -0.817 0.000 0.932 295 F CA 0.760 58.372 58.000 -0.647 0.000 0.995 295 F CB -0.800 37.714 39.000 -0.809 0.000 0.966 295 F HN 0.771 nan 8.300 nan 0.000 0.721 296 R N 0.641 120.653 120.500 -0.813 0.000 2.564 296 R HA 0.678 5.018 4.340 -0.000 0.000 0.284 296 R C -1.469 174.343 176.300 -0.812 0.000 1.031 296 R CA -0.387 55.364 56.100 -0.581 0.000 0.904 296 R CB 1.025 31.199 30.300 -0.209 0.000 1.199 296 R HN -0.030 nan 8.270 nan 0.000 0.443 297 F N 0.976 121.092 119.950 0.278 0.000 2.546 297 F HA 0.389 4.916 4.527 -0.000 0.000 0.320 297 F C 1.241 177.092 175.800 0.086 0.000 1.076 297 F CA -0.820 57.367 58.000 0.311 0.000 0.928 297 F CB 2.324 41.569 39.000 0.407 0.000 1.189 297 F HN 0.483 nan 8.300 nan 0.000 0.465 298 S N 0.685 116.418 115.700 0.054 0.000 2.345 298 S HA -0.032 4.438 4.470 -0.000 0.000 0.220 298 S C 0.019 174.185 174.600 -0.723 0.000 1.031 298 S CA 1.128 59.100 58.200 -0.381 0.000 0.996 298 S CB -0.231 62.659 63.200 -0.516 0.000 0.882 298 S HN 0.346 nan 8.310 nan 0.000 0.445 299 F N 1.725 121.698 119.950 0.039 0.000 2.403 299 F HA 0.605 5.132 4.527 -0.000 0.000 0.355 299 F C -0.008 175.836 175.800 0.074 0.000 1.119 299 F CA -0.931 57.116 58.000 0.079 0.000 1.007 299 F CB 1.491 40.539 39.000 0.080 0.000 1.194 299 F HN -0.053 nan 8.300 nan 0.000 0.443 300 V N 0.968 120.841 119.914 -0.068 0.000 3.202 300 V HA 0.738 4.858 4.120 -0.000 0.000 0.306 300 V C -3.005 172.640 176.094 -0.749 0.000 1.283 300 V CA -3.224 58.643 62.300 -0.721 0.000 1.065 300 V CB 2.014 33.650 31.823 -0.311 0.000 1.079 300 V HN 0.279 nan 8.190 nan 0.000 0.448 301 P HA 0.196 nan 4.420 nan 0.000 0.265 301 P C -0.747 176.398 177.300 -0.258 0.000 1.187 301 P CA 0.447 63.215 63.100 -0.552 0.000 0.766 301 P CB 0.625 31.933 31.700 -0.654 0.000 0.820 302 V N 4.540 124.390 119.914 -0.106 0.000 2.628 302 V HA 0.278 4.398 4.120 -0.000 0.000 0.306 302 V C -0.398 175.680 176.094 -0.027 0.000 1.045 302 V CA -0.893 61.374 62.300 -0.055 0.000 0.905 302 V CB 2.219 34.040 31.823 -0.005 0.000 0.997 302 V HN 0.127 nan 8.190 nan 0.000 0.436 303 V N 7.176 127.076 119.914 -0.022 0.000 2.287 303 V HA 0.177 4.297 4.120 -0.000 0.000 0.246 303 V C 0.765 176.870 176.094 0.018 0.000 1.165 303 V CA 0.347 62.649 62.300 0.003 0.000 1.088 303 V CB 0.003 31.820 31.823 -0.010 0.000 1.242 303 V HN 1.090 nan 8.190 nan 0.000 0.497 304 D N 2.515 122.939 120.400 0.041 0.000 2.271 304 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 304 D C 1.572 177.901 176.300 0.048 0.000 0.967 304 D CA 0.972 55.000 54.000 0.046 0.000 0.867 304 D CB 0.050 40.889 40.800 0.065 0.000 0.960 304 D HN 0.680 nan 8.370 nan 0.000 0.509 305 G N 0.453 109.288 108.800 0.058 0.000 2.130 305 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 305 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 305 G C 0.117 175.052 174.900 0.059 0.000 0.999 305 G CA 0.519 45.648 45.100 0.049 0.000 0.686 305 G HN 0.558 nan 8.290 nan 0.000 0.515 306 D N -1.927 118.527 120.400 0.090 0.000 2.973 306 D HA 0.308 4.948 4.640 -0.000 0.000 0.187 306 D C 1.635 178.019 176.300 0.141 0.000 1.467 306 D CA 0.300 54.362 54.000 0.102 0.000 1.515 306 D CB -0.469 40.400 40.800 0.116 0.000 1.182 306 D HN 0.070 nan 8.370 nan 0.000 0.213 307 F N 1.059 121.033 119.950 0.040 0.000 2.161 307 F HA 0.225 4.752 4.527 -0.000 0.000 0.300 307 F C 0.157 175.982 175.800 0.042 0.000 1.089 307 F CA 1.162 59.193 58.000 0.050 0.000 1.282 307 F CB 0.220 39.254 39.000 0.057 0.000 1.010 307 F HN -0.003 nan 8.300 nan 0.000 0.485 308 L N 0.499 121.893 121.223 0.285 0.000 2.316 308 L HA 0.215 4.554 4.340 -0.000 0.000 0.280 308 L C 1.268 178.194 176.870 0.093 0.000 1.006 308 L CA -0.336 54.604 54.840 0.168 0.000 0.836 308 L CB 1.641 43.791 42.059 0.153 0.000 1.221 308 L HN -0.037 nan 8.230 nan 0.000 0.418 309 S N 0.256 115.992 115.700 0.059 0.000 2.474 309 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 309 S C 0.423 175.044 174.600 0.033 0.000 0.997 309 S CA 0.405 58.629 58.200 0.040 0.000 0.949 309 S CB 0.115 63.329 63.200 0.025 0.000 0.766 309 S HN 0.761 nan 8.310 nan 0.000 0.517 310 D N -0.611 119.810 120.400 0.036 0.000 2.738 310 D HA 0.179 4.819 4.640 -0.000 0.000 0.308 310 D C -1.362 174.951 176.300 0.021 0.000 1.311 310 D CA -0.352 53.662 54.000 0.024 0.000 0.799 310 D CB 1.282 42.094 40.800 0.021 0.000 1.332 310 D HN 0.080 nan 8.370 nan 0.000 0.441 311 T N 2.119 116.677 114.554 0.008 0.000 2.946 311 T HA 0.115 4.465 4.350 -0.000 0.000 0.311 311 T C -1.450 173.249 174.700 -0.003 0.000 1.063 311 T CA -0.730 61.365 62.100 -0.008 0.000 1.139 311 T CB 0.742 69.600 68.868 -0.017 0.000 0.994 311 T HN 0.269 nan 8.240 nan 0.000 0.547 312 P HA -0.132 nan 4.420 nan 0.000 0.219 312 P C 1.285 178.575 177.300 -0.017 0.000 1.146 312 P CA 0.934 64.023 63.100 -0.018 0.000 0.808 312 P CB 0.371 32.032 31.700 -0.065 0.000 0.779 313 E N 1.101 121.282 120.200 -0.032 0.000 2.017 313 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 313 E C 2.199 178.805 176.600 0.010 0.000 0.997 313 E CA 1.746 58.132 56.400 -0.023 0.000 0.804 313 E CB -1.243 28.438 29.700 -0.032 0.000 0.757 313 E HN 0.091 nan 8.360 nan 0.000 0.448 314 A N 0.321 123.149 122.820 0.013 0.000 2.024 314 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 314 A C 2.262 179.878 177.584 0.053 0.000 1.164 314 A CA 1.356 53.410 52.037 0.028 0.000 0.643 314 A CB -0.612 18.399 19.000 0.019 0.000 0.806 314 A HN 0.334 nan 8.150 nan 0.000 0.451 315 L N -0.405 120.858 121.223 0.067 0.000 2.068 315 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 315 L C 2.576 179.583 176.870 0.228 0.000 1.076 315 L CA 1.506 56.419 54.840 0.122 0.000 0.753 315 L CB -0.664 41.468 42.059 0.121 0.000 0.910 315 L HN 0.633 nan 8.230 nan 0.000 0.439 316 I N -2.176 118.503 120.570 0.182 0.000 2.614 316 I HA -0.207 3.963 4.170 -0.000 0.000 0.258 316 I C 2.231 178.494 176.117 0.243 0.000 1.189 316 I CA 1.554 62.983 61.300 0.216 0.000 1.462 316 I CB -0.667 37.336 38.000 0.004 0.000 1.092 316 I HN 0.378 nan 8.210 nan 0.000 0.442 317 N N 1.986 120.773 118.700 0.144 0.000 2.171 317 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 317 N C 1.544 177.118 175.510 0.106 0.000 1.021 317 N CA 2.086 55.200 53.050 0.107 0.000 0.854 317 N CB -0.008 38.516 38.487 0.062 0.000 0.994 317 N HN 0.565 nan 8.380 nan 0.000 0.426 318 T N -3.061 111.547 114.554 0.090 0.000 3.084 318 T HA 0.386 4.736 4.350 -0.000 0.000 0.270 318 T C 0.788 175.458 174.700 -0.048 0.000 1.008 318 T CA -0.411 61.706 62.100 0.029 0.000 0.900 318 T CB 0.347 69.222 68.868 0.010 0.000 1.084 318 T HN 0.181 nan 8.240 nan 0.000 0.538 319 G N 0.433 109.193 108.800 -0.067 0.000 2.651 319 G HA2 0.409 4.369 3.960 -0.000 0.000 0.260 319 G HA3 0.409 4.369 3.960 -0.000 0.000 0.260 319 G C -1.063 173.326 174.900 -0.851 0.000 1.216 319 G CA -0.397 44.413 45.100 -0.483 0.000 0.913 319 G HN 0.302 nan 8.290 nan 0.000 0.535 320 D N -0.077 119.738 120.400 -0.976 0.000 2.414 320 D HA 0.318 4.957 4.640 -0.000 0.000 0.232 320 D C -0.744 175.092 176.300 -0.772 0.000 1.070 320 D CA -0.524 53.088 54.000 -0.647 0.000 0.839 320 D CB 0.902 41.518 40.800 -0.306 0.000 1.079 320 D HN 0.089 nan 8.370 nan 0.000 0.521 321 F N 2.423 122.391 119.950 0.029 0.000 2.855 321 F HA 0.192 4.719 4.527 -0.000 0.000 0.317 321 F C 1.930 177.754 175.800 0.039 0.000 1.169 321 F CA -0.502 57.521 58.000 0.038 0.000 1.299 321 F CB 0.284 39.317 39.000 0.054 0.000 0.962 321 F HN 0.307 nan 8.300 nan 0.000 0.506 322 Q N 1.739 121.590 119.800 0.085 0.000 2.077 322 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 322 Q C 2.019 178.066 176.000 0.079 0.000 0.989 322 Q CA 2.637 58.482 55.803 0.070 0.000 0.853 322 Q CB -0.073 28.676 28.738 0.019 0.000 0.907 322 Q HN 0.545 nan 8.270 nan 0.000 0.418 323 D N -0.760 119.680 120.400 0.065 0.000 2.277 323 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 323 D C 0.419 176.767 176.300 0.081 0.000 0.962 323 D CA 0.054 54.087 54.000 0.054 0.000 0.865 323 D CB -0.244 40.570 40.800 0.023 0.000 0.939 323 D HN 0.295 nan 8.370 nan 0.000 0.510 324 L N 1.002 122.303 121.223 0.130 0.000 2.490 324 L HA 0.004 4.344 4.340 -0.000 0.000 0.274 324 L C 0.093 177.070 176.870 0.178 0.000 1.201 324 L CA 0.464 55.400 54.840 0.160 0.000 0.869 324 L CB 0.523 42.719 42.059 0.230 0.000 1.123 324 L HN -0.017 nan 8.230 nan 0.000 0.484 325 Q N 4.222 124.143 119.800 0.203 0.000 2.347 325 Q HA 0.452 4.792 4.340 -0.000 0.000 0.265 325 Q C -1.339 174.964 176.000 0.505 0.000 1.024 325 Q CA -0.554 55.425 55.803 0.293 0.000 0.731 325 Q CB 2.468 31.287 28.738 0.135 0.000 1.245 325 Q HN 0.352 nan 8.270 nan 0.000 0.472 326 V N 3.117 123.286 119.914 0.425 0.000 2.628 326 V HA 0.523 4.643 4.120 -0.000 0.000 0.306 326 V C -0.509 175.560 176.094 -0.041 0.000 1.045 326 V CA -0.898 61.558 62.300 0.261 0.000 0.905 326 V CB 2.286 34.185 31.823 0.126 0.000 0.997 326 V HN 0.667 nan 8.190 nan 0.000 0.436 327 L N 4.421 125.375 121.223 -0.449 0.000 2.341 327 L HA 0.848 5.188 4.340 -0.000 0.000 0.278 327 L C -1.163 175.639 176.870 -0.113 0.000 1.005 327 L CA -0.295 54.202 54.840 -0.573 0.000 0.818 327 L CB 1.741 42.993 42.059 -1.345 0.000 1.259 327 L HN 0.520 nan 8.230 nan 0.000 0.418 328 V N 3.298 123.245 119.914 0.055 0.000 3.130 328 V HA 0.974 5.094 4.120 -0.000 0.000 0.310 328 V C 0.151 176.158 176.094 -0.146 0.000 1.158 328 V CA -0.189 62.124 62.300 0.021 0.000 1.029 328 V CB 1.836 33.609 31.823 -0.083 0.000 1.057 328 V HN 0.957 nan 8.190 nan 0.000 0.436 329 G N 0.204 108.715 108.800 -0.482 0.000 2.490 329 G HA2 0.693 4.653 3.960 -0.000 0.000 0.308 329 G HA3 0.693 4.653 3.960 -0.000 0.000 0.308 329 G C -1.995 172.494 174.900 -0.684 0.000 1.286 329 G CA -0.214 43.990 45.100 -1.493 0.000 0.825 329 G HN 0.866 nan 8.290 nan 0.000 0.479 330 V N -1.076 118.509 119.914 -0.549 0.000 3.278 330 V HA 0.642 4.762 4.120 -0.000 0.000 0.288 330 V C -0.262 175.961 176.094 0.215 0.000 1.514 330 V CA -0.243 62.030 62.300 -0.044 0.000 1.051 330 V CB 1.829 33.599 31.823 -0.089 0.000 1.163 330 V HN 1.508 nan 8.190 nan 0.000 0.458 331 V N -0.094 119.975 119.914 0.259 0.000 3.093 331 V HA 0.604 4.724 4.120 -0.000 0.000 0.320 331 V C 1.117 177.370 176.094 0.266 0.000 1.093 331 V CA -0.352 62.157 62.300 0.349 0.000 1.016 331 V CB 1.459 33.476 31.823 0.324 0.000 1.096 331 V HN 0.816 nan 8.190 nan 0.000 0.452 332 K N 0.244 120.814 120.400 0.282 0.000 2.020 332 K HA -0.144 4.176 4.320 -0.000 0.000 0.212 332 K C -0.007 176.705 176.600 0.185 0.000 1.050 332 K CA 2.461 58.874 56.287 0.210 0.000 0.929 332 K CB -0.111 32.507 32.500 0.197 0.000 0.714 332 K HN 0.982 nan 8.250 nan 0.000 0.443 333 D N 0.578 121.093 120.400 0.192 0.000 2.517 333 D HA 0.072 4.712 4.640 -0.000 0.000 0.301 333 D C 0.227 176.645 176.300 0.197 0.000 1.202 333 D CA -0.226 53.882 54.000 0.181 0.000 0.910 333 D CB 1.345 42.248 40.800 0.172 0.000 1.021 333 D HN 0.030 nan 8.370 nan 0.000 0.499 334 E N 1.179 121.498 120.200 0.199 0.000 2.035 334 E HA -0.195 4.155 4.350 -0.000 0.000 0.204 334 E C 2.265 179.031 176.600 0.276 0.000 1.025 334 E CA 1.454 58.000 56.400 0.244 0.000 0.835 334 E CB -0.476 29.312 29.700 0.147 0.000 0.764 334 E HN 0.542 nan 8.360 nan 0.000 0.457 335 G N 1.309 110.204 108.800 0.159 0.000 2.527 335 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 335 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 335 G C 1.714 176.782 174.900 0.279 0.000 1.117 335 G CA 1.388 46.590 45.100 0.170 0.000 0.759 335 G HN 0.370 nan 8.290 nan 0.000 0.556 336 S N 0.260 116.104 115.700 0.240 0.000 2.351 336 S HA -0.295 4.175 4.470 -0.000 0.000 0.220 336 S C 2.094 176.739 174.600 0.075 0.000 1.035 336 S CA 1.447 59.755 58.200 0.179 0.000 1.031 336 S CB -0.907 62.333 63.200 0.068 0.000 0.928 336 S HN 0.462 nan 8.310 nan 0.000 0.433 337 Y N 2.541 122.728 120.300 -0.189 0.000 2.062 337 Y HA -0.265 4.285 4.550 -0.000 0.000 0.276 337 Y C 1.886 177.617 175.900 -0.282 0.000 1.189 337 Y CA 1.947 59.765 58.100 -0.470 0.000 1.130 337 Y CB -0.927 37.179 38.460 -0.591 0.000 0.959 337 Y HN 0.266 nan 8.280 nan 0.000 0.499 338 F N -0.328 119.592 119.950 -0.051 0.000 2.494 338 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 338 F C 2.036 177.801 175.800 -0.060 0.000 1.106 338 F CA 0.818 58.742 58.000 -0.127 0.000 1.452 338 F CB -0.746 38.185 39.000 -0.116 0.000 1.085 338 F HN 0.104 nan 8.300 nan 0.000 0.569 339 L N -0.243 121.036 121.223 0.092 0.000 2.072 339 L HA -0.130 4.209 4.340 -0.000 0.000 0.205 339 L C 2.455 179.362 176.870 0.062 0.000 1.079 339 L CA 0.958 55.741 54.840 -0.095 0.000 0.752 339 L CB -0.825 40.959 42.059 -0.458 0.000 0.906 339 L HN 0.144 nan 8.230 nan 0.000 0.436 340 V N -4.238 115.795 119.914 0.199 0.000 2.913 340 V HA -0.234 3.886 4.120 -0.000 0.000 0.260 340 V C 1.353 177.446 176.094 -0.001 0.000 1.098 340 V CA 1.031 63.456 62.300 0.210 0.000 1.121 340 V CB -1.333 30.657 31.823 0.278 0.000 0.714 340 V HN 0.287 nan 8.190 nan 0.000 0.487 341 Y N 2.348 122.598 120.300 -0.083 0.000 2.740 341 Y HA 0.578 5.128 4.550 -0.000 0.000 0.356 341 Y C 1.620 177.446 175.900 -0.124 0.000 1.101 341 Y CA 0.241 58.251 58.100 -0.150 0.000 1.477 341 Y CB -0.019 38.298 38.460 -0.240 0.000 1.296 341 Y HN 0.428 nan 8.280 nan 0.000 0.507 342 G N -1.369 107.445 108.800 0.024 0.000 2.559 342 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.202 342 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.202 342 G C -0.750 174.173 174.900 0.038 0.000 0.992 342 G CA -0.440 44.663 45.100 0.007 0.000 0.764 342 G HN 0.035 nan 8.290 nan 0.000 0.525 343 V N 3.345 123.313 119.914 0.091 0.000 2.347 343 V HA 0.478 4.598 4.120 -0.000 0.000 0.280 343 V C -1.768 174.504 176.094 0.297 0.000 1.021 343 V CA -1.864 60.531 62.300 0.159 0.000 0.847 343 V CB 1.594 33.472 31.823 0.091 0.000 0.990 343 V HN 0.179 nan 8.190 nan 0.000 0.444 344 P HA 0.143 nan 4.420 nan 0.000 0.262 344 P C 0.944 178.290 177.300 0.078 0.000 1.182 344 P CA 1.286 64.453 63.100 0.111 0.000 0.761 344 P CB 0.848 32.581 31.700 0.054 0.000 0.795 345 G N 1.952 110.738 108.800 -0.024 0.000 2.232 345 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.226 345 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.226 345 G C -0.276 174.390 174.900 -0.391 0.000 0.996 345 G CA -0.539 44.411 45.100 -0.250 0.000 0.626 345 G HN 0.423 nan 8.290 nan 0.000 0.509 346 F N 1.756 121.715 119.950 0.014 0.000 2.415 346 F HA 0.767 5.294 4.527 -0.000 0.000 0.348 346 F C 0.565 176.474 175.800 0.182 0.000 1.119 346 F CA -0.181 57.865 58.000 0.077 0.000 1.069 346 F CB 2.247 41.332 39.000 0.140 0.000 1.124 346 F HN 0.178 nan 8.300 nan 0.000 0.472 347 S N 2.012 117.981 115.700 0.448 0.000 2.541 347 S HA 0.303 4.773 4.470 -0.000 0.000 0.271 347 S C 0.257 175.165 174.600 0.514 0.000 1.133 347 S CA -0.919 57.525 58.200 0.405 0.000 0.876 347 S CB 1.412 64.750 63.200 0.230 0.000 1.105 347 S HN 0.767 nan 8.310 nan 0.000 0.470 348 K N 1.692 122.269 120.400 0.295 0.000 2.432 348 K HA 0.101 4.420 4.320 -0.000 0.000 0.196 348 K C 0.291 176.905 176.600 0.023 0.000 1.038 348 K CA 1.038 57.382 56.287 0.095 0.000 0.986 348 K CB -0.068 32.262 32.500 -0.284 0.000 0.782 348 K HN 0.469 nan 8.250 nan 0.000 0.485 349 D N 1.185 121.604 120.400 0.032 0.000 2.183 349 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 349 D C 0.249 176.599 176.300 0.084 0.000 0.962 349 D CA 0.740 54.742 54.000 0.003 0.000 0.849 349 D CB -0.042 40.738 40.800 -0.034 0.000 0.978 349 D HN 0.467 nan 8.370 nan 0.000 0.488 350 N N -0.085 118.699 118.700 0.141 0.000 2.671 350 N HA 0.108 4.847 4.740 -0.000 0.000 0.303 350 N C 0.353 175.968 175.510 0.175 0.000 1.277 350 N CA -0.512 52.602 53.050 0.105 0.000 0.933 350 N CB 0.514 39.019 38.487 0.030 0.000 1.190 350 N HN -0.245 nan 8.380 nan 0.000 0.600 351 E N -0.783 119.445 120.200 0.046 0.000 2.502 351 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 351 E C -0.520 175.793 176.600 -0.477 0.000 1.062 351 E CA 0.015 56.386 56.400 -0.047 0.000 0.867 351 E CB -0.292 29.396 29.700 -0.020 0.000 0.888 351 E HN 0.564 nan 8.360 nan 0.000 0.510 352 S N 0.905 116.364 115.700 -0.402 0.000 3.614 352 S HA -0.163 4.307 4.470 -0.000 0.000 0.360 352 S C 0.021 174.249 174.600 -0.620 0.000 1.023 352 S CA 0.107 57.937 58.200 -0.618 0.000 1.114 352 S CB -0.823 61.789 63.200 -0.980 0.000 0.907 352 S HN 0.203 nan 8.310 nan 0.000 0.470 353 L N 2.071 123.066 121.223 -0.380 0.000 2.462 353 L HA 0.354 4.694 4.340 -0.000 0.000 0.283 353 L C 0.806 177.511 176.870 -0.276 0.000 1.166 353 L CA 0.169 54.840 54.840 -0.282 0.000 0.964 353 L CB -1.115 40.840 42.059 -0.173 0.000 1.294 353 L HN 0.534 nan 8.230 nan 0.000 0.449 354 I N -0.145 120.221 120.570 -0.340 0.000 2.823 354 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 354 I C 1.004 177.042 176.117 -0.132 0.000 1.091 354 I CA -0.320 60.810 61.300 -0.283 0.000 1.365 354 I CB 1.067 38.830 38.000 -0.394 0.000 1.427 354 I HN 0.559 nan 8.210 nan 0.000 0.583 355 S N 3.948 119.596 115.700 -0.087 0.000 2.655 355 S HA 0.305 4.775 4.470 -0.000 0.000 0.265 355 S C 1.038 175.649 174.600 0.017 0.000 1.240 355 S CA -0.400 57.778 58.200 -0.037 0.000 0.986 355 S CB 1.332 64.516 63.200 -0.026 0.000 0.985 355 S HN 0.891 nan 8.310 nan 0.000 0.562 356 R N 0.182 120.694 120.500 0.021 0.000 2.073 356 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 356 R C 2.468 178.852 176.300 0.141 0.000 1.120 356 R CA 1.263 57.401 56.100 0.064 0.000 0.967 356 R CB -1.093 29.213 30.300 0.010 0.000 0.862 356 R HN 0.843 nan 8.270 nan 0.000 0.436 357 A N 0.859 123.728 122.820 0.083 0.000 1.940 357 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 357 A C 2.022 179.654 177.584 0.081 0.000 1.176 357 A CA 1.407 53.491 52.037 0.078 0.000 0.631 357 A CB -0.442 18.584 19.000 0.044 0.000 0.814 357 A HN 0.478 nan 8.150 nan 0.000 0.446 358 Q N -1.859 117.986 119.800 0.074 0.000 2.050 358 Q HA -0.174 4.165 4.340 -0.000 0.000 0.202 358 Q C 1.951 178.021 176.000 0.117 0.000 0.980 358 Q CA 1.689 57.531 55.803 0.065 0.000 0.840 358 Q CB -0.318 28.424 28.738 0.008 0.000 0.898 358 Q HN 0.784 nan 8.270 nan 0.000 0.424 359 F N 1.129 121.100 119.950 0.035 0.000 2.095 359 F HA -0.259 4.267 4.527 -0.000 0.000 0.298 359 F C 1.757 177.590 175.800 0.056 0.000 1.104 359 F CA 1.001 59.041 58.000 0.067 0.000 1.232 359 F CB -0.103 38.920 39.000 0.038 0.000 0.987 359 F HN 0.013 nan 8.300 nan 0.000 0.475 360 L N 0.585 121.865 121.223 0.094 0.000 2.042 360 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 360 L C 2.793 179.610 176.870 -0.088 0.000 1.076 360 L CA 1.965 56.805 54.840 0.000 0.000 0.749 360 L CB -2.395 39.727 42.059 0.105 0.000 0.893 360 L HN 0.361 nan 8.230 nan 0.000 0.432 361 A N -0.180 122.616 122.820 -0.041 0.000 1.873 361 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 361 A C 2.475 180.016 177.584 -0.071 0.000 1.186 361 A CA 1.545 53.562 52.037 -0.034 0.000 0.616 361 A CB -1.209 17.792 19.000 0.002 0.000 0.823 361 A HN 0.415 nan 8.150 nan 0.000 0.442 362 G N -0.374 108.373 108.800 -0.088 0.000 2.469 362 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.219 362 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.219 362 G C 1.500 176.284 174.900 -0.194 0.000 1.150 362 G CA 1.364 46.403 45.100 -0.103 0.000 0.763 362 G HN 0.338 nan 8.290 nan 0.000 0.561 363 V N 0.966 120.687 119.914 -0.323 0.000 2.392 363 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 363 V C 2.967 178.982 176.094 -0.132 0.000 1.059 363 V CA 1.827 63.960 62.300 -0.279 0.000 1.051 363 V CB -0.371 31.249 31.823 -0.337 0.000 0.658 363 V HN 0.279 nan 8.190 nan 0.000 0.455 364 R N -0.346 120.095 120.500 -0.098 0.000 2.115 364 R HA 0.065 4.405 4.340 -0.000 0.000 0.226 364 R C 2.063 178.335 176.300 -0.047 0.000 1.100 364 R CA 1.207 57.275 56.100 -0.054 0.000 0.980 364 R CB -0.707 29.572 30.300 -0.036 0.000 0.875 364 R HN 0.461 nan 8.270 nan 0.000 0.445 365 I N 0.017 120.554 120.570 -0.055 0.000 2.193 365 I HA -0.107 4.063 4.170 -0.000 0.000 0.240 365 I C 2.391 178.478 176.117 -0.051 0.000 1.084 365 I CA 1.536 62.809 61.300 -0.046 0.000 1.365 365 I CB -0.692 37.283 38.000 -0.040 0.000 1.064 365 I HN 0.200 nan 8.210 nan 0.000 0.410 366 G N 0.315 109.073 108.800 -0.069 0.000 2.470 366 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.220 366 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.220 366 G C 0.812 175.697 174.900 -0.025 0.000 1.121 366 G CA 0.592 45.652 45.100 -0.067 0.000 0.766 366 G HN 0.292 nan 8.290 nan 0.000 0.553 367 V N 1.434 121.330 119.914 -0.030 0.000 2.468 367 V HA 0.202 4.322 4.120 -0.000 0.000 0.256 367 V C -1.348 174.738 176.094 -0.013 0.000 0.998 367 V CA -1.023 61.264 62.300 -0.022 0.000 1.114 367 V CB 1.464 33.257 31.823 -0.050 0.000 1.378 367 V HN 0.053 nan 8.190 nan 0.000 0.573 368 P HA -0.220 nan 4.420 nan 0.000 0.218 368 P C 1.374 178.671 177.300 -0.005 0.000 1.148 368 P CA 1.364 64.458 63.100 -0.010 0.000 0.822 368 P CB 0.366 32.058 31.700 -0.014 0.000 0.784 369 Q N 0.085 119.889 119.800 0.007 0.000 2.472 369 Q HA 0.092 4.432 4.340 -0.000 0.000 0.208 369 Q C 0.669 176.663 176.000 -0.010 0.000 0.958 369 Q CA 0.311 56.114 55.803 0.001 0.000 0.932 369 Q CB -0.748 27.998 28.738 0.015 0.000 1.007 369 Q HN 0.075 nan 8.270 nan 0.000 0.508 370 A N 2.201 125.012 122.820 -0.015 0.000 2.409 370 A HA 0.396 4.715 4.320 -0.000 0.000 0.267 370 A C 0.525 178.098 177.584 -0.019 0.000 1.127 370 A CA 0.026 52.048 52.037 -0.025 0.000 0.795 370 A CB 0.314 19.298 19.000 -0.027 0.000 1.061 370 A HN 0.512 nan 8.150 nan 0.000 0.502 371 S N 2.127 117.812 115.700 -0.024 0.000 2.617 371 S HA 0.081 4.550 4.470 -0.000 0.000 0.255 371 S C 0.537 175.134 174.600 -0.006 0.000 1.318 371 S CA 0.198 58.388 58.200 -0.015 0.000 0.978 371 S CB 0.355 63.542 63.200 -0.020 0.000 0.961 371 S HN 0.651 nan 8.310 nan 0.000 0.582 372 D N 0.046 120.447 120.400 0.003 0.000 2.084 372 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 372 D C 1.903 178.218 176.300 0.025 0.000 0.990 372 D CA 1.033 55.042 54.000 0.015 0.000 0.826 372 D CB -0.457 40.354 40.800 0.018 0.000 0.971 372 D HN 0.387 nan 8.370 nan 0.000 0.453 373 L N 1.359 122.594 121.223 0.020 0.000 2.013 373 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 373 L C 2.268 179.158 176.870 0.034 0.000 1.073 373 L CA 1.892 56.751 54.840 0.031 0.000 0.753 373 L CB -0.911 41.160 42.059 0.021 0.000 0.890 373 L HN -0.031 nan 8.230 nan 0.000 0.432 374 A N -0.917 121.901 122.820 -0.003 0.000 1.933 374 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 374 A C 2.440 180.042 177.584 0.029 0.000 1.175 374 A CA 1.786 53.809 52.037 -0.024 0.000 0.628 374 A CB -1.069 17.883 19.000 -0.080 0.000 0.814 374 A HN 0.568 nan 8.150 nan 0.000 0.444 375 A N -0.358 122.481 122.820 0.031 0.000 1.877 375 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 375 A C 1.925 179.569 177.584 0.099 0.000 1.186 375 A CA 2.081 54.148 52.037 0.049 0.000 0.620 375 A CB -0.559 18.458 19.000 0.030 0.000 0.822 375 A HN 0.508 nan 8.150 nan 0.000 0.443 376 E N -0.104 120.158 120.200 0.103 0.000 2.049 376 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 376 E C 2.212 178.919 176.600 0.178 0.000 1.007 376 E CA 1.719 58.203 56.400 0.139 0.000 0.809 376 E CB -0.474 29.294 29.700 0.113 0.000 0.749 376 E HN 0.536 nan 8.360 nan 0.000 0.450 377 A N -0.070 122.856 122.820 0.178 0.000 1.892 377 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 377 A C 2.489 180.191 177.584 0.196 0.000 1.188 377 A CA 2.030 54.204 52.037 0.229 0.000 0.631 377 A CB -0.947 18.258 19.000 0.341 0.000 0.822 377 A HN 0.198 nan 8.150 nan 0.000 0.447 378 V N -0.367 119.707 119.914 0.266 0.000 2.407 378 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 378 V C 2.535 178.849 176.094 0.368 0.000 1.055 378 V CA 1.915 64.394 62.300 0.298 0.000 1.049 378 V CB -0.868 31.086 31.823 0.218 0.000 0.662 378 V HN 0.390 nan 8.190 nan 0.000 0.455 379 V N -0.233 119.862 119.914 0.303 0.000 2.358 379 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 379 V C 2.302 178.600 176.094 0.340 0.000 1.047 379 V CA 1.904 64.428 62.300 0.373 0.000 1.035 379 V CB -0.561 31.456 31.823 0.324 0.000 0.658 379 V HN 0.494 nan 8.190 nan 0.000 0.452 380 L N -0.175 121.259 121.223 0.352 0.000 1.971 380 L HA -0.306 4.034 4.340 -0.000 0.000 0.215 380 L C 2.618 179.659 176.870 0.285 0.000 1.072 380 L CA 2.702 57.818 54.840 0.459 0.000 0.758 380 L CB -0.573 41.632 42.059 0.244 0.000 0.889 380 L HN 0.471 nan 8.230 nan 0.000 0.433 381 H N -1.468 117.571 119.070 -0.052 0.000 2.352 381 H HA -0.237 4.319 4.556 -0.000 0.000 0.299 381 H C 1.744 176.919 175.328 -0.255 0.000 1.097 381 H CA 2.503 58.367 56.048 -0.306 0.000 1.311 381 H CB -0.082 29.171 29.762 -0.847 0.000 1.377 381 H HN 0.440 nan 8.280 nan 0.000 0.504 382 Y N -0.294 120.085 120.300 0.131 0.000 2.523 382 Y HA 0.116 4.666 4.550 -0.000 0.000 0.279 382 Y C 0.800 176.622 175.900 -0.130 0.000 1.139 382 Y CA 0.343 58.516 58.100 0.121 0.000 1.296 382 Y CB 0.274 38.943 38.460 0.349 0.000 1.045 382 Y HN 0.035 nan 8.280 nan 0.000 0.538 383 T N 0.973 115.392 114.554 -0.225 0.000 2.884 383 T HA 0.037 4.387 4.350 -0.000 0.000 0.298 383 T C -0.447 173.754 174.700 -0.831 0.000 0.998 383 T CA -0.417 61.242 62.100 -0.736 0.000 1.124 383 T CB 0.625 68.660 68.868 -1.388 0.000 0.931 383 T HN 0.054 nan 8.240 nan 0.000 0.531 384 D N 1.714 121.683 120.400 -0.719 0.000 2.428 384 D HA 0.182 4.821 4.640 -0.000 0.000 0.221 384 D C 0.110 176.097 176.300 -0.521 0.000 1.123 384 D CA -0.817 52.856 54.000 -0.545 0.000 0.869 384 D CB 0.229 40.651 40.800 -0.630 0.000 1.032 384 D HN 0.594 nan 8.370 nan 0.000 0.506 385 W N 3.151 124.341 121.300 -0.183 0.000 2.632 385 W HA -0.011 4.649 4.660 -0.000 0.000 0.248 385 W C 1.794 178.194 176.519 -0.199 0.000 1.259 385 W CA -0.280 56.967 57.345 -0.162 0.000 1.288 385 W CB 0.050 29.433 29.460 -0.129 0.000 1.136 385 W HN 0.441 nan 8.180 nan 0.000 0.640 386 L N -0.474 120.669 121.223 -0.134 0.000 2.307 386 L HA 0.031 4.370 4.340 -0.000 0.000 0.211 386 L C -0.086 176.436 176.870 -0.579 0.000 1.099 386 L CA 1.429 56.057 54.840 -0.352 0.000 0.816 386 L CB -0.136 41.650 42.059 -0.456 0.000 0.952 386 L HN 0.071 nan 8.230 nan 0.000 0.455 387 H N -0.491 118.478 119.070 -0.168 0.000 2.712 387 H HA 0.194 4.750 4.556 -0.000 0.000 0.226 387 H C -1.869 173.281 175.328 -0.295 0.000 1.422 387 H CA -1.014 54.916 56.048 -0.196 0.000 1.270 387 H CB 0.363 30.003 29.762 -0.202 0.000 1.891 387 H HN 0.057 nan 8.280 nan 0.000 0.518 388 P HA -0.128 nan 4.420 nan 0.000 0.236 388 P C 0.488 177.659 177.300 -0.216 0.000 1.172 388 P CA 1.049 63.968 63.100 -0.301 0.000 0.759 388 P CB 0.662 32.225 31.700 -0.228 0.000 0.843 389 E N -0.527 119.602 120.200 -0.118 0.000 2.465 389 E HA 0.027 4.377 4.350 -0.000 0.000 0.209 389 E C 0.184 176.743 176.600 -0.069 0.000 0.951 389 E CA -0.012 56.340 56.400 -0.080 0.000 0.997 389 E CB -0.297 29.383 29.700 -0.033 0.000 1.025 389 E HN 0.224 nan 8.360 nan 0.000 0.500 390 D N 3.733 124.100 120.400 -0.054 0.000 2.479 390 D HA -0.050 4.590 4.640 -0.000 0.000 0.257 390 D C -1.177 175.109 176.300 -0.023 0.000 1.230 390 D CA -1.102 52.886 54.000 -0.020 0.000 0.912 390 D CB 1.084 41.909 40.800 0.042 0.000 1.130 390 D HN -0.099 nan 8.370 nan 0.000 0.515 391 P HA -0.204 nan 4.420 nan 0.000 0.216 391 P C 1.229 178.492 177.300 -0.062 0.000 1.153 391 P CA 1.283 64.342 63.100 -0.070 0.000 0.858 391 P CB 0.048 31.696 31.700 -0.087 0.000 0.789 392 T N -1.061 113.462 114.554 -0.050 0.000 2.720 392 T HA -0.189 4.160 4.350 -0.000 0.000 0.268 392 T C 1.739 176.413 174.700 -0.043 0.000 1.037 392 T CA 1.771 63.834 62.100 -0.062 0.000 1.144 392 T CB -0.977 67.843 68.868 -0.080 0.000 0.864 392 T HN 0.307 nan 8.240 nan 0.000 0.444 393 H N 0.552 119.581 119.070 -0.069 0.000 2.276 393 H HA 0.098 4.654 4.556 -0.000 0.000 0.301 393 H C 2.245 177.531 175.328 -0.071 0.000 1.073 393 H CA 1.378 57.388 56.048 -0.065 0.000 1.311 393 H CB -0.427 29.265 29.762 -0.118 0.000 1.379 393 H HN 0.150 nan 8.280 nan 0.000 0.494 394 L N 0.181 121.406 121.223 0.004 0.000 2.034 394 L HA -0.313 4.027 4.340 -0.000 0.000 0.217 394 L C 2.756 179.737 176.870 0.186 0.000 1.077 394 L CA 1.609 56.389 54.840 -0.101 0.000 0.769 394 L CB -0.501 41.487 42.059 -0.117 0.000 0.890 394 L HN 0.313 nan 8.230 nan 0.000 0.435 395 R N 0.538 121.105 120.500 0.112 0.000 2.088 395 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 395 R C 1.849 178.301 176.300 0.253 0.000 1.136 395 R CA 2.372 58.571 56.100 0.165 0.000 0.926 395 R CB -0.482 29.778 30.300 -0.066 0.000 0.837 395 R HN 0.367 nan 8.270 nan 0.000 0.429 396 D N 0.245 120.746 120.400 0.168 0.000 2.218 396 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 396 D C 1.615 178.061 176.300 0.244 0.000 0.976 396 D CA 1.253 55.372 54.000 0.197 0.000 0.853 396 D CB -0.146 40.727 40.800 0.121 0.000 0.939 396 D HN 0.411 nan 8.370 nan 0.000 0.481 397 A N 0.457 123.441 122.820 0.274 0.000 1.929 397 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 397 A C 2.118 179.929 177.584 0.378 0.000 1.176 397 A CA 1.032 53.295 52.037 0.376 0.000 0.628 397 A CB -0.340 18.849 19.000 0.315 0.000 0.816 397 A HN 0.104 nan 8.150 nan 0.000 0.444 398 M N 0.087 119.937 119.600 0.417 0.000 2.067 398 M HA -0.104 4.376 4.480 -0.000 0.000 0.260 398 M C 2.339 178.674 176.300 0.059 0.000 1.069 398 M CA 2.167 57.596 55.300 0.216 0.000 1.117 398 M CB -0.613 32.156 32.600 0.281 0.000 1.334 398 M HN 0.411 nan 8.290 nan 0.000 0.407 399 S N -0.265 115.507 115.700 0.120 0.000 2.387 399 S HA -0.155 4.315 4.470 -0.000 0.000 0.230 399 S C 1.992 176.658 174.600 0.109 0.000 1.035 399 S CA 1.669 59.941 58.200 0.120 0.000 1.014 399 S CB -0.572 62.766 63.200 0.229 0.000 0.836 399 S HN 0.608 nan 8.310 nan 0.000 0.466 400 A N 0.819 123.735 122.820 0.161 0.000 1.873 400 A HA 0.051 4.371 4.320 -0.000 0.000 0.215 400 A C 2.372 180.011 177.584 0.092 0.000 1.186 400 A CA 1.660 53.833 52.037 0.226 0.000 0.616 400 A CB -1.097 18.170 19.000 0.446 0.000 0.823 400 A HN 0.475 nan 8.150 nan 0.000 0.442 401 V N -0.123 119.664 119.914 -0.211 0.000 2.255 401 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 401 V C 2.561 178.549 176.094 -0.176 0.000 1.051 401 V CA 2.183 64.269 62.300 -0.357 0.000 1.018 401 V CB -1.125 30.457 31.823 -0.401 0.000 0.641 401 V HN 0.363 nan 8.190 nan 0.000 0.445 402 V N 1.020 120.838 119.914 -0.161 0.000 2.237 402 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 402 V C 2.711 178.626 176.094 -0.299 0.000 1.046 402 V CA 2.318 64.489 62.300 -0.214 0.000 1.007 402 V CB -1.585 30.149 31.823 -0.148 0.000 0.638 402 V HN 0.601 nan 8.190 nan 0.000 0.445 403 G N -0.264 108.442 108.800 -0.157 0.000 2.442 403 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 403 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 403 G C 1.210 176.001 174.900 -0.181 0.000 1.141 403 G CA 1.169 46.189 45.100 -0.134 0.000 0.763 403 G HN 0.534 nan 8.290 nan 0.000 0.554 404 D N -0.465 119.853 120.400 -0.136 0.000 2.120 404 D HA -0.038 4.602 4.640 -0.000 0.000 0.202 404 D C 2.112 178.084 176.300 -0.547 0.000 0.972 404 D CA 1.064 54.962 54.000 -0.170 0.000 0.837 404 D CB -0.541 40.352 40.800 0.154 0.000 0.989 404 D HN 0.336 nan 8.370 nan 0.000 0.469 405 H N 1.355 119.823 119.070 -1.004 0.000 2.319 405 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 405 H C 1.548 176.389 175.328 -0.812 0.000 1.092 405 H CA 1.742 56.962 56.048 -1.380 0.000 1.302 405 H CB -0.039 28.898 29.762 -1.375 0.000 1.373 405 H HN 0.006 nan 8.280 nan 0.000 0.497 406 N N -0.723 117.446 118.700 -0.884 0.000 2.336 406 N HA -0.034 4.706 4.740 -0.000 0.000 0.177 406 N C 1.699 176.892 175.510 -0.528 0.000 1.018 406 N CA 1.256 53.725 53.050 -0.970 0.000 0.878 406 N CB 0.550 37.847 38.487 -1.985 0.000 0.997 406 N HN 0.257 nan 8.380 nan 0.000 0.433 407 V N 0.171 119.828 119.914 -0.428 0.000 3.050 407 V HA 0.031 4.151 4.120 -0.000 0.000 0.223 407 V C 2.368 178.380 176.094 -0.137 0.000 1.162 407 V CA 0.298 62.498 62.300 -0.166 0.000 1.247 407 V CB -0.598 31.187 31.823 -0.063 0.000 1.125 407 V HN -0.146 nan 8.190 nan 0.000 0.508 408 V N 0.366 120.204 119.914 -0.127 0.000 2.220 408 V HA -0.365 3.755 4.120 -0.000 0.000 0.250 408 V C 2.580 178.610 176.094 -0.108 0.000 1.056 408 V CA 2.705 64.945 62.300 -0.100 0.000 1.016 408 V CB -1.137 30.655 31.823 -0.051 0.000 0.639 408 V HN 0.686 nan 8.190 nan 0.000 0.446 409 c N -0.117 118.413 118.600 -0.116 0.000 2.429 409 c HA -0.057 4.512 4.570 -0.000 0.000 0.277 409 c C 0.667 174.701 174.090 -0.094 0.000 1.262 409 c CA 1.358 57.649 56.329 -0.064 0.000 1.733 409 c CB -2.054 40.442 42.510 -0.022 0.000 2.010 409 c HN 0.476 nan 8.230 nan 0.000 0.483 410 P HA -0.058 nan 4.420 nan 0.000 0.217 410 P C 1.785 179.001 177.300 -0.140 0.000 1.150 410 P CA 1.230 64.236 63.100 -0.158 0.000 0.832 410 P CB -0.137 31.434 31.700 -0.216 0.000 0.787 411 V N 0.382 120.214 119.914 -0.137 0.000 2.261 411 V HA -0.287 3.832 4.120 -0.000 0.000 0.246 411 V C 2.463 178.446 176.094 -0.186 0.000 1.047 411 V CA 2.457 64.667 62.300 -0.151 0.000 1.015 411 V CB -1.704 30.027 31.823 -0.153 0.000 0.642 411 V HN 0.100 nan 8.190 nan 0.000 0.446 412 A N -0.467 122.253 122.820 -0.167 0.000 1.908 412 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 412 A C 2.167 179.686 177.584 -0.108 0.000 1.181 412 A CA 2.293 54.230 52.037 -0.165 0.000 0.627 412 A CB -0.623 18.339 19.000 -0.064 0.000 0.818 412 A HN 0.575 nan 8.150 nan 0.000 0.445 413 Q N -0.621 119.138 119.800 -0.069 0.000 2.170 413 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 413 Q C 1.759 177.722 176.000 -0.061 0.000 0.976 413 Q CA 1.811 57.592 55.803 -0.037 0.000 0.858 413 Q CB -0.455 28.261 28.738 -0.037 0.000 0.907 413 Q HN 0.556 nan 8.270 nan 0.000 0.433 414 L N -0.151 121.005 121.223 -0.111 0.000 2.034 414 L HA 0.141 4.480 4.340 -0.000 0.000 0.203 414 L C 2.139 178.925 176.870 -0.139 0.000 1.074 414 L CA 1.995 56.757 54.840 -0.129 0.000 0.748 414 L CB -1.235 40.732 42.059 -0.153 0.000 0.905 414 L HN 0.199 nan 8.230 nan 0.000 0.439 415 A N -0.165 122.526 122.820 -0.216 0.000 1.896 415 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 415 A C 2.315 179.825 177.584 -0.125 0.000 1.206 415 A CA 2.286 54.133 52.037 -0.317 0.000 0.647 415 A CB -1.821 16.723 19.000 -0.760 0.000 0.828 415 A HN 0.579 nan 8.150 nan 0.000 0.455 416 G N -1.456 107.332 108.800 -0.020 0.000 2.433 416 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 416 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 416 G C 1.680 176.663 174.900 0.137 0.000 1.186 416 G CA 0.809 46.047 45.100 0.229 0.000 0.779 416 G HN 0.360 nan 8.290 nan 0.000 0.543 417 R N -0.405 120.137 120.500 0.071 0.000 2.152 417 R HA 0.061 4.401 4.340 -0.000 0.000 0.232 417 R C 2.422 178.783 176.300 0.102 0.000 1.117 417 R CA 0.512 56.660 56.100 0.080 0.000 0.981 417 R CB -0.699 29.632 30.300 0.052 0.000 0.870 417 R HN 0.360 nan 8.270 nan 0.000 0.451 418 L N -0.121 121.124 121.223 0.037 0.000 2.034 418 L HA 0.052 4.392 4.340 -0.000 0.000 0.203 418 L C 2.312 179.265 176.870 0.139 0.000 1.074 418 L CA 1.942 56.795 54.840 0.020 0.000 0.748 418 L CB -1.230 40.766 42.059 -0.105 0.000 0.905 418 L HN 0.102 nan 8.230 nan 0.000 0.439 419 A N -0.479 122.423 122.820 0.138 0.000 1.903 419 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 419 A C 2.390 180.061 177.584 0.144 0.000 1.191 419 A CA 2.350 54.485 52.037 0.163 0.000 0.638 419 A CB -1.226 17.914 19.000 0.232 0.000 0.823 419 A HN 0.493 nan 8.150 nan 0.000 0.451 420 A N -1.882 121.024 122.820 0.142 0.000 2.019 420 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 420 A C 2.024 179.681 177.584 0.122 0.000 1.164 420 A CA 1.969 54.076 52.037 0.116 0.000 0.644 420 A CB -0.339 18.727 19.000 0.110 0.000 0.805 420 A HN 0.514 nan 8.150 nan 0.000 0.449 421 Q N -2.090 117.815 119.800 0.175 0.000 2.425 421 Q HA 0.295 4.635 4.340 -0.000 0.000 0.204 421 Q C 1.190 177.284 176.000 0.156 0.000 0.933 421 Q CA 1.047 56.965 55.803 0.192 0.000 0.939 421 Q CB 0.373 29.347 28.738 0.394 0.000 1.044 421 Q HN 0.829 nan 8.270 nan 0.000 0.513 422 G N -1.767 107.126 108.800 0.155 0.000 2.421 422 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.188 422 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.188 422 G C 0.253 175.242 174.900 0.147 0.000 1.001 422 G CA -0.253 44.921 45.100 0.123 0.000 0.693 422 G HN 0.512 nan 8.290 nan 0.000 0.479 423 A N 0.331 123.270 122.820 0.199 0.000 2.448 423 A HA 0.633 4.953 4.320 -0.000 0.000 0.239 423 A C 0.704 178.376 177.584 0.146 0.000 1.080 423 A CA 0.862 53.010 52.037 0.185 0.000 0.779 423 A CB 0.222 19.327 19.000 0.175 0.000 1.026 423 A HN 0.765 nan 8.150 nan 0.000 0.499 424 R N 1.745 122.341 120.500 0.160 0.000 2.278 424 R HA 0.493 4.833 4.340 -0.000 0.000 0.322 424 R C -1.430 174.987 176.300 0.194 0.000 1.058 424 R CA -0.284 55.905 56.100 0.149 0.000 0.991 424 R CB 0.305 30.721 30.300 0.193 0.000 1.140 424 R HN 0.504 nan 8.270 nan 0.000 0.518 425 V N 4.577 124.560 119.914 0.116 0.000 2.716 425 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 425 V C -0.780 175.347 176.094 0.055 0.000 1.053 425 V CA -0.587 61.800 62.300 0.145 0.000 0.984 425 V CB 1.392 33.292 31.823 0.129 0.000 1.021 425 V HN 0.556 nan 8.190 nan 0.000 0.467 426 Y N 1.046 121.422 120.300 0.127 0.000 2.442 426 Y HA 0.763 5.313 4.550 -0.000 0.000 0.344 426 Y C 0.220 176.384 175.900 0.439 0.000 0.976 426 Y CA -0.448 57.825 58.100 0.288 0.000 1.040 426 Y CB 2.191 40.511 38.460 -0.233 0.000 1.228 426 Y HN 0.813 nan 8.280 nan 0.000 0.451 427 A N 2.579 125.877 122.820 0.798 0.000 2.430 427 A HA 0.940 5.260 4.320 -0.000 0.000 0.300 427 A C -1.906 175.895 177.584 0.361 0.000 1.124 427 A CA -0.687 51.614 52.037 0.439 0.000 0.766 427 A CB 1.648 20.768 19.000 0.200 0.000 1.328 427 A HN 0.811 nan 8.150 nan 0.000 0.424 428 Y N -1.478 118.911 120.300 0.150 0.000 2.689 428 Y HA 0.773 5.323 4.550 -0.000 0.000 0.333 428 Y C -1.662 174.301 175.900 0.105 0.000 1.208 428 Y CA -1.794 56.306 58.100 -0.001 0.000 1.055 428 Y CB 1.123 39.568 38.460 -0.025 0.000 1.304 428 Y HN 0.393 nan 8.280 nan 0.000 0.455 429 I N 3.386 124.187 120.570 0.385 0.000 2.542 429 I HA 0.193 4.363 4.170 -0.000 0.000 0.278 429 I C -1.101 175.293 176.117 0.461 0.000 1.069 429 I CA -0.710 60.781 61.300 0.317 0.000 1.100 429 I CB 0.961 39.084 38.000 0.206 0.000 1.204 429 I HN 0.712 nan 8.210 nan 0.000 0.470 430 F N 6.120 126.360 119.950 0.484 0.000 2.541 430 F HA 0.134 4.661 4.527 -0.000 0.000 0.378 430 F C 1.159 177.112 175.800 0.256 0.000 1.068 430 F CA 0.846 59.065 58.000 0.365 0.000 1.199 430 F CB 0.644 39.868 39.000 0.374 0.000 1.091 430 F HN 0.504 nan 8.300 nan 0.000 0.555 431 E N 2.575 122.749 120.200 -0.045 0.000 2.601 431 E HA -0.036 4.314 4.350 -0.000 0.000 0.219 431 E C -0.636 175.959 176.600 -0.008 0.000 0.964 431 E CA -0.196 56.231 56.400 0.045 0.000 1.050 431 E CB 0.217 29.939 29.700 0.037 0.000 1.068 431 E HN 0.491 nan 8.360 nan 0.000 0.496 432 H N 2.027 120.868 119.070 -0.382 0.000 2.690 432 H HA 0.198 4.754 4.556 -0.000 0.000 0.314 432 H C -0.400 174.996 175.328 0.113 0.000 1.069 432 H CA -0.244 55.669 56.048 -0.225 0.000 1.436 432 H CB 0.430 29.962 29.762 -0.382 0.000 1.462 432 H HN -0.147 nan 8.280 nan 0.000 0.511 433 R N 4.289 124.602 120.500 -0.312 0.000 2.196 433 R HA 0.492 4.832 4.340 -0.000 0.000 0.340 433 R C -0.519 175.553 176.300 -0.380 0.000 1.043 433 R CA -0.665 55.334 56.100 -0.168 0.000 0.883 433 R CB 0.201 30.503 30.300 0.003 0.000 1.078 433 R HN 0.809 nan 8.270 nan 0.000 0.462 434 A N 3.119 125.921 122.820 -0.030 0.000 2.565 434 A HA -0.015 4.305 4.320 -0.000 0.000 0.237 434 A C 1.311 179.006 177.584 0.184 0.000 1.053 434 A CA 0.554 52.770 52.037 0.298 0.000 0.755 434 A CB 0.296 19.660 19.000 0.607 0.000 0.980 434 A HN 1.031 nan 8.150 nan 0.000 0.506 435 S N 1.657 117.501 115.700 0.240 0.000 2.383 435 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 435 S C 1.789 176.423 174.600 0.058 0.000 1.026 435 S CA 1.706 59.994 58.200 0.146 0.000 0.981 435 S CB -1.268 62.032 63.200 0.165 0.000 0.818 435 S HN 1.284 nan 8.310 nan 0.000 0.472 436 T N 0.726 115.278 114.554 -0.002 0.000 2.833 436 T HA 0.031 4.381 4.350 -0.000 0.000 0.269 436 T C 0.974 175.647 174.700 -0.046 0.000 1.054 436 T CA 0.180 62.214 62.100 -0.111 0.000 1.135 436 T CB -0.919 67.753 68.868 -0.327 0.000 0.869 436 T HN 0.265 nan 8.240 nan 0.000 0.466 437 L N 3.969 125.218 121.223 0.044 0.000 2.795 437 L HA -0.031 4.309 4.340 -0.000 0.000 0.290 437 L C 1.550 178.434 176.870 0.025 0.000 1.206 437 L CA 1.443 56.325 54.840 0.071 0.000 0.919 437 L CB -0.140 41.979 42.059 0.099 0.000 1.227 437 L HN 0.643 nan 8.230 nan 0.000 0.483 438 T N 0.438 114.971 114.554 -0.035 0.000 3.065 438 T HA 0.018 4.367 4.350 -0.000 0.000 0.252 438 T C 0.440 175.210 174.700 0.115 0.000 1.099 438 T CA -0.454 61.607 62.100 -0.064 0.000 1.063 438 T CB -0.094 68.575 68.868 -0.331 0.000 0.948 438 T HN 0.439 nan 8.240 nan 0.000 0.506 439 W N 3.353 124.711 121.300 0.097 0.000 2.161 439 W HA 0.409 5.069 4.660 -0.000 0.000 0.344 439 W C -1.926 174.530 176.519 -0.104 0.000 1.262 439 W CA -2.282 55.091 57.345 0.048 0.000 1.270 439 W CB 0.200 29.601 29.460 -0.098 0.000 1.126 439 W HN -0.053 nan 8.180 nan 0.000 0.598 440 P HA -0.114 nan 4.420 nan 0.000 0.271 440 P C 0.700 177.962 177.300 -0.064 0.000 1.233 440 P CA -0.148 62.922 63.100 -0.050 0.000 0.789 440 P CB 0.941 32.556 31.700 -0.142 0.000 0.951 441 L N 1.645 122.897 121.223 0.048 0.000 2.079 441 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 441 L C 2.404 179.360 176.870 0.142 0.000 1.081 441 L CA 1.881 56.775 54.840 0.090 0.000 0.752 441 L CB -1.618 40.513 42.059 0.120 0.000 0.896 441 L HN 0.662 nan 8.230 nan 0.000 0.433 442 W N -0.566 120.790 121.300 0.094 0.000 2.424 442 W HA -0.209 4.451 4.660 -0.000 0.000 0.264 442 W C 1.591 178.174 176.519 0.106 0.000 1.229 442 W CA 0.412 57.816 57.345 0.098 0.000 1.208 442 W CB -0.953 28.570 29.460 0.106 0.000 1.127 442 W HN 0.179 nan 8.180 nan 0.000 0.588 443 M N 1.102 120.591 119.600 -0.184 0.000 2.556 443 M HA 0.184 4.664 4.480 -0.000 0.000 0.245 443 M C 1.917 178.198 176.300 -0.032 0.000 1.128 443 M CA 1.080 56.233 55.300 -0.244 0.000 1.069 443 M CB -0.386 31.845 32.600 -0.615 0.000 1.469 443 M HN 0.147 nan 8.290 nan 0.000 0.494 444 G N 1.124 109.943 108.800 0.031 0.000 2.665 444 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.326 444 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.326 444 G C 0.050 174.981 174.900 0.052 0.000 1.231 444 G CA 0.143 45.286 45.100 0.072 0.000 0.992 444 G HN 0.257 nan 8.290 nan 0.000 0.549 445 V N 4.097 124.075 119.914 0.107 0.000 2.240 445 V HA 0.430 4.550 4.120 -0.000 0.000 0.265 445 V C -1.733 174.453 176.094 0.153 0.000 1.073 445 V CA -0.801 61.598 62.300 0.165 0.000 0.857 445 V CB 1.144 33.134 31.823 0.279 0.000 1.114 445 V HN 0.465 nan 8.190 nan 0.000 0.469 446 P HA 0.090 nan 4.420 nan 0.000 0.273 446 P C -0.211 177.235 177.300 0.243 0.000 1.250 446 P CA -0.371 62.752 63.100 0.039 0.000 0.793 446 P CB 0.357 31.863 31.700 -0.323 0.000 1.011 447 H N 0.672 119.786 119.070 0.072 0.000 3.107 447 H HA 0.268 4.824 4.556 -0.000 0.000 0.301 447 H C 1.488 176.740 175.328 -0.127 0.000 0.981 447 H CA 2.042 58.098 56.048 0.014 0.000 1.443 447 H CB -0.917 28.875 29.762 0.050 0.000 1.479 447 H HN 0.719 nan 8.280 nan 0.000 0.564 448 G N 3.951 112.504 108.800 -0.413 0.000 2.175 448 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 448 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 448 G C 0.211 174.913 174.900 -0.330 0.000 0.982 448 G CA 0.319 45.127 45.100 -0.486 0.000 0.641 448 G HN 0.630 nan 8.290 nan 0.000 0.527 449 Y N 1.357 121.654 120.300 -0.006 0.000 2.676 449 Y HA 0.326 4.876 4.550 -0.000 0.000 0.331 449 Y C 1.974 177.843 175.900 -0.051 0.000 1.128 449 Y CA 0.525 58.686 58.100 0.101 0.000 1.360 449 Y CB 0.162 38.738 38.460 0.194 0.000 1.176 449 Y HN 0.608 nan 8.280 nan 0.000 0.518 450 E N -0.866 119.156 120.200 -0.296 0.000 2.372 450 E HA -0.031 4.319 4.350 -0.000 0.000 0.201 450 E C 1.560 177.991 176.600 -0.280 0.000 0.938 450 E CA 0.428 56.332 56.400 -0.826 0.000 0.944 450 E CB -0.171 28.985 29.700 -0.908 0.000 0.937 450 E HN 0.330 nan 8.360 nan 0.000 0.495 451 I N 2.615 123.104 120.570 -0.134 0.000 2.113 451 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 451 I C 2.296 178.383 176.117 -0.050 0.000 1.064 451 I CA 1.997 63.282 61.300 -0.025 0.000 1.320 451 I CB -1.494 36.551 38.000 0.075 0.000 1.028 451 I HN 0.187 nan 8.210 nan 0.000 0.406 452 E N 1.054 121.161 120.200 -0.155 0.000 2.108 452 E HA -0.253 4.097 4.350 -0.000 0.000 0.203 452 E C 2.202 178.493 176.600 -0.515 0.000 1.022 452 E CA 1.794 57.979 56.400 -0.360 0.000 0.823 452 E CB -0.511 28.904 29.700 -0.475 0.000 0.744 452 E HN 0.467 nan 8.360 nan 0.000 0.456 453 F N 0.862 120.676 119.950 -0.226 0.000 2.128 453 F HA -0.117 4.410 4.527 -0.000 0.000 0.295 453 F C 2.391 177.967 175.800 -0.373 0.000 1.100 453 F CA 0.570 58.379 58.000 -0.318 0.000 1.260 453 F CB -0.300 38.544 39.000 -0.260 0.000 1.009 453 F HN -0.040 nan 8.300 nan 0.000 0.476 454 I N -0.633 119.779 120.570 -0.262 0.000 2.208 454 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 454 I C 2.249 178.067 176.117 -0.499 0.000 1.097 454 I CA 1.716 62.689 61.300 -0.544 0.000 1.363 454 I CB -1.494 35.998 38.000 -0.848 0.000 1.051 454 I HN 0.097 nan 8.210 nan 0.000 0.413 455 F N 0.937 120.684 119.950 -0.339 0.000 2.407 455 F HA 0.126 4.652 4.527 -0.000 0.000 0.299 455 F C 1.925 177.562 175.800 -0.272 0.000 1.097 455 F CA 1.116 58.951 58.000 -0.274 0.000 1.422 455 F CB -0.288 38.538 39.000 -0.289 0.000 1.067 455 F HN 0.307 nan 8.300 nan 0.000 0.539 456 G N -0.146 108.465 108.800 -0.314 0.000 2.140 456 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.211 456 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.211 456 G C 0.785 175.049 174.900 -1.060 0.000 1.013 456 G CA 0.169 44.947 45.100 -0.538 0.000 0.705 456 G HN 0.241 nan 8.290 nan 0.000 0.508 457 L N 0.080 120.783 121.223 -0.867 0.000 2.265 457 L HA 0.079 4.418 4.340 -0.000 0.000 0.215 457 L C 0.275 176.656 176.870 -0.815 0.000 1.117 457 L CA 2.330 56.663 54.840 -0.845 0.000 0.782 457 L CB -0.820 40.992 42.059 -0.413 0.000 0.914 457 L HN 0.203 nan 8.230 nan 0.000 0.441 458 P HA -0.091 nan 4.420 nan 0.000 0.226 458 P C 1.694 178.769 177.300 -0.375 0.000 1.153 458 P CA 0.739 63.252 63.100 -0.979 0.000 0.777 458 P CB 0.117 31.228 31.700 -0.983 0.000 0.794 459 L N -0.947 120.011 121.223 -0.442 0.000 2.191 459 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 459 L C 1.089 177.934 176.870 -0.040 0.000 1.103 459 L CA 1.226 55.941 54.840 -0.209 0.000 0.769 459 L CB -1.142 40.806 42.059 -0.185 0.000 0.908 459 L HN -0.015 nan 8.230 nan 0.000 0.438 460 D N -0.297 120.067 120.400 -0.061 0.000 2.358 460 D HA 0.029 4.668 4.640 -0.000 0.000 0.258 460 D C -1.660 174.698 176.300 0.098 0.000 1.223 460 D CA -1.742 52.337 54.000 0.132 0.000 0.886 460 D CB 1.539 42.458 40.800 0.198 0.000 1.120 460 D HN -0.046 nan 8.370 nan 0.000 0.482 461 P HA -0.128 nan 4.420 nan 0.000 0.217 461 P C 1.460 178.798 177.300 0.064 0.000 1.151 461 P CA 1.103 64.249 63.100 0.076 0.000 0.828 461 P CB 0.126 31.864 31.700 0.064 0.000 0.788 462 S N -0.418 115.317 115.700 0.058 0.000 2.370 462 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 462 S C 0.963 175.575 174.600 0.019 0.000 1.033 462 S CA 0.736 58.956 58.200 0.033 0.000 1.011 462 S CB -1.673 61.544 63.200 0.029 0.000 0.852 462 S HN 0.021 nan 8.310 nan 0.000 0.457 463 L N 2.755 124.003 121.223 0.041 0.000 2.490 463 L HA 0.146 4.486 4.340 -0.000 0.000 0.274 463 L C 0.076 176.938 176.870 -0.014 0.000 1.201 463 L CA -0.389 54.453 54.840 0.003 0.000 0.869 463 L CB 0.018 42.143 42.059 0.110 0.000 1.123 463 L HN 0.256 nan 8.230 nan 0.000 0.484 464 N N 3.263 121.879 118.700 -0.141 0.000 3.245 464 N HA 0.127 4.867 4.740 -0.000 0.000 0.296 464 N C -0.950 174.469 175.510 -0.152 0.000 1.254 464 N CA 0.100 53.084 53.050 -0.110 0.000 1.190 464 N CB -0.160 38.264 38.487 -0.106 0.000 1.460 464 N HN 0.353 nan 8.380 nan 0.000 0.538 465 Y N 0.103 120.415 120.300 0.020 0.000 2.387 465 Y HA 0.190 4.739 4.550 -0.000 0.000 0.330 465 Y C 1.515 177.466 175.900 0.085 0.000 1.133 465 Y CA -0.895 57.243 58.100 0.064 0.000 1.152 465 Y CB 0.973 39.456 38.460 0.038 0.000 1.215 465 Y HN 0.075 nan 8.280 nan 0.000 0.466 466 T N -2.276 112.465 114.554 0.312 0.000 2.860 466 T HA 0.071 4.421 4.350 -0.000 0.000 0.299 466 T C 1.094 175.907 174.700 0.189 0.000 1.045 466 T CA -0.301 61.922 62.100 0.205 0.000 1.071 466 T CB 0.948 69.924 68.868 0.182 0.000 0.985 466 T HN 0.739 nan 8.240 nan 0.000 0.537 467 T N 1.905 116.534 114.554 0.125 0.000 2.699 467 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 467 T C 1.724 176.485 174.700 0.101 0.000 1.036 467 T CA 1.977 64.136 62.100 0.098 0.000 1.147 467 T CB -0.422 68.487 68.868 0.068 0.000 0.862 467 T HN 0.794 nan 8.240 nan 0.000 0.446 468 E N 1.361 121.617 120.200 0.093 0.000 2.077 468 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 468 E C 2.264 178.955 176.600 0.153 0.000 0.989 468 E CA 1.040 57.481 56.400 0.070 0.000 0.800 468 E CB -0.266 29.431 29.700 -0.005 0.000 0.746 468 E HN 0.592 nan 8.360 nan 0.000 0.452 469 E N 0.512 120.853 120.200 0.236 0.000 2.118 469 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 469 E C 2.165 178.946 176.600 0.301 0.000 0.992 469 E CA 0.835 57.497 56.400 0.436 0.000 0.804 469 E CB -0.116 29.956 29.700 0.619 0.000 0.741 469 E HN 0.143 nan 8.360 nan 0.000 0.458 470 R N 1.090 121.683 120.500 0.155 0.000 2.070 470 R HA -0.147 4.193 4.340 -0.000 0.000 0.233 470 R C 2.347 178.689 176.300 0.071 0.000 1.137 470 R CA 1.320 57.446 56.100 0.045 0.000 0.945 470 R CB -0.293 30.029 30.300 0.037 0.000 0.845 470 R HN 0.125 nan 8.270 nan 0.000 0.430 471 I N 0.729 121.362 120.570 0.106 0.000 2.208 471 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 471 I C 2.388 178.610 176.117 0.175 0.000 1.097 471 I CA 1.132 62.494 61.300 0.103 0.000 1.363 471 I CB -0.515 37.536 38.000 0.085 0.000 1.051 471 I HN 0.189 nan 8.210 nan 0.000 0.413 472 F N 2.263 122.229 119.950 0.027 0.000 2.046 472 F HA -0.287 4.240 4.527 -0.000 0.000 0.297 472 F C 2.534 178.397 175.800 0.106 0.000 1.123 472 F CA 1.393 59.419 58.000 0.043 0.000 1.199 472 F CB -1.048 37.948 39.000 -0.006 0.000 0.972 472 F HN 0.055 nan 8.300 nan 0.000 0.474 473 A N 0.349 123.193 122.820 0.040 0.000 1.892 473 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 473 A C 2.148 179.692 177.584 -0.067 0.000 1.188 473 A CA 2.181 54.158 52.037 -0.100 0.000 0.631 473 A CB -1.051 17.861 19.000 -0.145 0.000 0.822 473 A HN 0.676 nan 8.150 nan 0.000 0.447 474 Q N -1.204 118.584 119.800 -0.019 0.000 2.084 474 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 474 Q C 2.395 178.381 176.000 -0.023 0.000 0.978 474 Q CA 1.547 57.338 55.803 -0.020 0.000 0.844 474 Q CB -0.238 28.498 28.738 -0.003 0.000 0.898 474 Q HN 0.694 nan 8.270 nan 0.000 0.426 475 R N 0.783 121.292 120.500 0.014 0.000 2.083 475 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 475 R C 2.251 178.496 176.300 -0.091 0.000 1.137 475 R CA 1.193 57.252 56.100 -0.069 0.000 0.951 475 R CB -0.209 30.169 30.300 0.131 0.000 0.851 475 R HN 0.215 nan 8.270 nan 0.000 0.434 476 L N 0.044 121.379 121.223 0.187 0.000 2.017 476 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 476 L C 2.624 179.701 176.870 0.344 0.000 1.073 476 L CA 1.541 56.632 54.840 0.418 0.000 0.745 476 L CB -0.295 41.818 42.059 0.090 0.000 0.894 476 L HN 0.297 nan 8.230 nan 0.000 0.432 477 M N -1.028 118.619 119.600 0.079 0.000 2.149 477 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 477 M C 2.266 178.616 176.300 0.083 0.000 1.064 477 M CA 1.412 56.732 55.300 0.032 0.000 1.102 477 M CB -0.366 32.205 32.600 -0.048 0.000 1.369 477 M HN 0.061 nan 8.290 nan 0.000 0.408 478 K N 0.209 120.613 120.400 0.006 0.000 2.002 478 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 478 K C 1.801 178.398 176.600 -0.005 0.000 1.048 478 K CA 1.815 58.062 56.287 -0.067 0.000 0.930 478 K CB -0.759 31.613 32.500 -0.213 0.000 0.714 478 K HN 0.364 nan 8.250 nan 0.000 0.438 479 Y N -0.354 120.033 120.300 0.146 0.000 2.128 479 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 479 Y C 2.547 178.399 175.900 -0.081 0.000 1.154 479 Y CA 1.074 59.198 58.100 0.040 0.000 1.149 479 Y CB -0.679 37.857 38.460 0.127 0.000 0.976 479 Y HN 0.203 nan 8.280 nan 0.000 0.505 480 W N 0.798 122.151 121.300 0.089 0.000 2.353 480 W HA -0.243 4.417 4.660 -0.000 0.000 0.319 480 W C 2.663 179.157 176.519 -0.042 0.000 1.207 480 W CA 2.775 60.107 57.345 -0.021 0.000 1.291 480 W CB -1.057 28.313 29.460 -0.150 0.000 1.159 480 W HN 0.248 nan 8.180 nan 0.000 0.478 481 T N -1.485 113.135 114.554 0.110 0.000 2.788 481 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 481 T C 1.513 176.199 174.700 -0.023 0.000 1.044 481 T CA 1.428 63.535 62.100 0.011 0.000 1.139 481 T CB -0.662 68.205 68.868 -0.002 0.000 0.867 481 T HN -0.023 nan 8.240 nan 0.000 0.454 482 N N 0.772 119.462 118.700 -0.017 0.000 2.106 482 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 482 N C 1.476 176.917 175.510 -0.114 0.000 1.029 482 N CA 1.153 54.169 53.050 -0.057 0.000 0.848 482 N CB -0.589 37.874 38.487 -0.040 0.000 1.007 482 N HN 0.480 nan 8.380 nan 0.000 0.423 483 F N 1.897 121.688 119.950 -0.264 0.000 2.171 483 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 483 F C 2.158 177.830 175.800 -0.212 0.000 1.090 483 F CA 1.203 58.992 58.000 -0.351 0.000 1.293 483 F CB -0.356 38.322 39.000 -0.537 0.000 1.013 483 F HN 0.018 nan 8.300 nan 0.000 0.486 484 A N 1.864 124.581 122.820 -0.171 0.000 1.865 484 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 484 A C 2.432 179.895 177.584 -0.202 0.000 1.191 484 A CA 2.114 54.054 52.037 -0.161 0.000 0.623 484 A CB -0.764 18.203 19.000 -0.056 0.000 0.826 484 A HN 0.546 nan 8.150 nan 0.000 0.444 485 R N -0.660 119.745 120.500 -0.157 0.000 2.062 485 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 485 R C 2.212 178.409 176.300 -0.171 0.000 1.125 485 R CA 2.020 58.039 56.100 -0.135 0.000 0.966 485 R CB -1.394 28.856 30.300 -0.084 0.000 0.861 485 R HN 0.574 nan 8.270 nan 0.000 0.433 486 T N -2.575 111.862 114.554 -0.195 0.000 2.837 486 T HA 0.218 4.568 4.350 -0.000 0.000 0.248 486 T C 1.460 175.996 174.700 -0.272 0.000 1.033 486 T CA 0.928 62.916 62.100 -0.187 0.000 1.150 486 T CB -0.171 68.613 68.868 -0.141 0.000 0.865 486 T HN 0.541 nan 8.240 nan 0.000 0.425 487 G N 1.132 109.660 108.800 -0.452 0.000 2.181 487 G HA2 0.001 3.960 3.960 -0.000 0.000 0.152 487 G HA3 0.001 3.960 3.960 -0.000 0.000 0.152 487 G C -0.486 174.199 174.900 -0.359 0.000 1.026 487 G CA 0.031 44.729 45.100 -0.670 0.000 0.699 487 G HN 0.825 nan 8.290 nan 0.000 0.497 488 D N -0.228 119.970 120.400 -0.336 0.000 2.419 488 D HA 0.262 4.902 4.640 -0.000 0.000 0.219 488 D C -1.963 174.144 176.300 -0.322 0.000 1.349 488 D CA -0.820 52.969 54.000 -0.351 0.000 0.964 488 D CB 1.973 42.712 40.800 -0.102 0.000 1.463 488 D HN -0.006 nan 8.370 nan 0.000 0.573 489 P HA -0.063 nan 4.420 nan 0.000 0.236 489 P C 0.040 177.348 177.300 0.013 0.000 1.172 489 P CA 0.120 63.036 63.100 -0.307 0.000 0.759 489 P CB 0.309 31.537 31.700 -0.786 0.000 0.843 490 N N 0.926 119.623 118.700 -0.005 0.000 2.529 490 N HA 0.096 4.836 4.740 -0.000 0.000 0.278 490 N C 0.217 175.769 175.510 0.070 0.000 1.146 490 N CA 0.156 53.279 53.050 0.121 0.000 0.980 490 N CB 0.120 38.688 38.487 0.135 0.000 1.124 490 N HN 0.077 nan 8.380 nan 0.000 0.458 491 D N 3.210 123.660 120.400 0.084 0.000 2.659 491 D HA -0.028 4.611 4.640 -0.000 0.000 0.264 491 D C -0.920 175.398 176.300 0.029 0.000 1.329 491 D CA -0.881 53.139 54.000 0.034 0.000 0.963 491 D CB -0.508 40.317 40.800 0.042 0.000 1.136 491 D HN 0.294 nan 8.370 nan 0.000 0.554 492 P HA -0.369 nan 4.420 nan 0.000 0.235 492 P C 1.704 179.010 177.300 0.009 0.000 0.775 492 P CA 3.391 66.490 63.100 -0.001 0.000 1.099 492 P CB -0.005 31.689 31.700 -0.010 0.000 0.733 493 R N -0.362 120.142 120.500 0.008 0.000 2.038 493 R HA 0.157 4.497 4.340 -0.000 0.000 0.214 493 R C 2.119 178.430 176.300 0.018 0.000 1.249 493 R CA 1.709 57.816 56.100 0.012 0.000 1.025 493 R CB -1.873 28.431 30.300 0.006 0.000 0.911 493 R HN 0.516 nan 8.270 nan 0.000 0.456 494 D N 1.628 122.037 120.400 0.014 0.000 2.719 494 D HA 0.062 4.702 4.640 -0.000 0.000 0.265 494 D C 0.550 176.866 176.300 0.027 0.000 1.360 494 D CA 0.535 54.545 54.000 0.017 0.000 1.438 494 D CB -0.998 39.809 40.800 0.011 0.000 1.158 494 D HN 0.516 nan 8.370 nan 0.000 0.537 495 R N 0.429 120.949 120.500 0.033 0.000 4.432 495 R HA 0.319 4.659 4.340 -0.000 0.000 0.165 495 R C 2.456 178.784 176.300 0.047 0.000 1.929 495 R CA 0.868 56.996 56.100 0.046 0.000 1.469 495 R CB -0.869 29.457 30.300 0.044 0.000 1.368 495 R HN 0.557 nan 8.270 nan 0.000 0.811 496 K N 0.324 120.752 120.400 0.046 0.000 1.986 496 K HA -0.248 4.072 4.320 -0.000 0.000 0.230 496 K C 1.631 178.261 176.600 0.051 0.000 1.048 496 K CA 2.502 58.816 56.287 0.044 0.000 1.008 496 K CB -1.245 31.282 32.500 0.044 0.000 0.737 496 K HN 0.693 nan 8.250 nan 0.000 0.447 497 S N -0.876 114.865 115.700 0.069 0.000 5.515 497 S HA 0.466 4.936 4.470 -0.000 0.000 0.145 497 S C -2.177 172.475 174.600 0.088 0.000 1.350 497 S CA 0.165 58.405 58.200 0.067 0.000 1.034 497 S CB -0.462 62.770 63.200 0.053 0.000 2.011 497 S HN 0.425 nan 8.310 nan 0.000 0.655 498 P HA 0.455 nan 4.420 nan 0.000 0.264 498 P C -0.968 176.431 177.300 0.164 0.000 1.183 498 P CA 0.404 63.570 63.100 0.110 0.000 0.763 498 P CB 0.678 32.439 31.700 0.101 0.000 0.807 499 Q N 1.544 121.438 119.800 0.157 0.000 2.245 499 Q HA 0.430 4.770 4.340 -0.000 0.000 0.256 499 Q C -1.596 174.577 176.000 0.288 0.000 0.942 499 Q CA -0.443 55.489 55.803 0.214 0.000 0.896 499 Q CB 0.817 29.654 28.738 0.164 0.000 1.272 499 Q HN 0.459 nan 8.270 nan 0.000 0.442 500 W N 7.564 128.954 121.300 0.150 0.000 2.283 500 W HA 0.445 5.105 4.660 -0.000 0.000 0.317 500 W C -2.667 173.983 176.519 0.218 0.000 1.042 500 W CA -2.641 54.806 57.345 0.170 0.000 1.348 500 W CB 0.801 30.366 29.460 0.175 0.000 1.216 500 W HN 0.500 nan 8.180 nan 0.000 0.404 501 P HA 0.280 nan 4.420 nan 0.000 0.282 501 P C -2.675 174.713 177.300 0.146 0.000 1.249 501 P CA -1.778 61.471 63.100 0.250 0.000 0.806 501 P CB 1.283 33.058 31.700 0.125 0.000 0.984 502 P HA 0.045 nan 4.420 nan 0.000 0.268 502 P C -0.471 176.792 177.300 -0.061 0.000 1.204 502 P CA 0.204 63.057 63.100 -0.411 0.000 0.768 502 P CB -0.065 31.419 31.700 -0.360 0.000 0.842 503 Y N 4.072 124.331 120.300 -0.068 0.000 2.526 503 Y HA 0.253 4.802 4.550 -0.000 0.000 0.330 503 Y C 0.114 176.015 175.900 0.003 0.000 1.156 503 Y CA 0.661 58.782 58.100 0.034 0.000 1.419 503 Y CB 0.083 38.597 38.460 0.091 0.000 1.250 503 Y HN 0.359 nan 8.280 nan 0.000 0.540 504 T N 1.473 115.782 114.554 -0.408 0.000 2.907 504 T HA 0.253 4.603 4.350 -0.000 0.000 0.292 504 T C 0.999 175.487 174.700 -0.353 0.000 1.043 504 T CA -0.280 61.681 62.100 -0.231 0.000 1.003 504 T CB 1.367 70.146 68.868 -0.148 0.000 1.084 504 T HN 0.658 nan 8.240 nan 0.000 0.483 505 T N 0.406 114.898 114.554 -0.103 0.000 2.684 505 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 505 T C 2.291 176.940 174.700 -0.085 0.000 1.036 505 T CA 1.138 63.211 62.100 -0.045 0.000 1.148 505 T CB -0.881 68.006 68.868 0.032 0.000 0.863 505 T HN 0.791 nan 8.240 nan 0.000 0.436 506 A N 2.123 124.898 122.820 -0.074 0.000 1.841 506 A HA 0.337 4.656 4.320 -0.000 0.000 0.214 506 A C 2.818 180.349 177.584 -0.088 0.000 1.195 506 A CA 2.030 54.031 52.037 -0.059 0.000 0.611 506 A CB -1.445 17.532 19.000 -0.040 0.000 0.835 506 A HN 0.684 nan 8.150 nan 0.000 0.443 507 A N -2.088 120.657 122.820 -0.124 0.000 1.872 507 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 507 A C 1.069 178.539 177.584 -0.190 0.000 1.187 507 A CA 1.280 53.238 52.037 -0.130 0.000 0.614 507 A CB -0.435 18.496 19.000 -0.115 0.000 0.826 507 A HN 0.651 nan 8.150 nan 0.000 0.442 508 Q N -0.597 118.965 119.800 -0.397 0.000 2.459 508 Q HA -0.174 4.166 4.340 -0.000 0.000 0.314 508 Q C -1.006 174.843 176.000 -0.251 0.000 1.432 508 Q CA 0.531 55.958 55.803 -0.627 0.000 0.823 508 Q CB -1.748 26.854 28.738 -0.226 0.000 1.124 508 Q HN 0.860 nan 8.270 nan 0.000 0.392 509 Q N 0.780 120.449 119.800 -0.218 0.000 2.257 509 Q HA 0.599 4.939 4.340 -0.000 0.000 0.255 509 Q C -0.507 175.651 176.000 0.264 0.000 0.920 509 Q CA -0.398 55.412 55.803 0.011 0.000 0.927 509 Q CB 0.911 29.626 28.738 -0.039 0.000 1.229 509 Q HN 0.384 nan 8.270 nan 0.000 0.433 510 Y N -1.261 119.086 120.300 0.078 0.000 2.638 510 Y HA 0.787 5.337 4.550 -0.000 0.000 0.339 510 Y C -0.906 174.893 175.900 -0.168 0.000 1.084 510 Y CA -1.516 56.592 58.100 0.014 0.000 1.068 510 Y CB 0.776 39.280 38.460 0.074 0.000 1.294 510 Y HN 0.351 nan 8.280 nan 0.000 0.480 511 V N -0.895 118.882 119.914 -0.229 0.000 2.864 511 V HA 0.683 4.803 4.120 -0.000 0.000 0.314 511 V C -0.190 175.817 176.094 -0.145 0.000 1.073 511 V CA -0.632 61.441 62.300 -0.378 0.000 0.956 511 V CB 1.418 32.769 31.823 -0.786 0.000 1.023 511 V HN 1.029 nan 8.190 nan 0.000 0.435 512 S N 4.384 120.006 115.700 -0.130 0.000 2.494 512 S HA 0.351 4.821 4.470 -0.000 0.000 0.312 512 S C -0.179 174.377 174.600 -0.074 0.000 1.121 512 S CA -0.560 57.617 58.200 -0.038 0.000 1.068 512 S CB -0.473 62.698 63.200 -0.048 0.000 1.141 512 S HN 0.659 nan 8.310 nan 0.000 0.527 513 L N 6.450 127.664 121.223 -0.014 0.000 2.401 513 L HA 0.403 4.743 4.340 -0.000 0.000 0.283 513 L C 0.348 177.156 176.870 -0.104 0.000 1.151 513 L CA 0.489 55.337 54.840 0.012 0.000 0.942 513 L CB -1.238 40.909 42.059 0.146 0.000 1.283 513 L HN 0.981 nan 8.230 nan 0.000 0.442 514 N N 0.947 119.505 118.700 -0.236 0.000 3.308 514 N HA 0.264 5.004 4.740 -0.000 0.000 0.276 514 N C 0.670 175.650 175.510 -0.882 0.000 1.533 514 N CA -0.910 51.761 53.050 -0.632 0.000 0.878 514 N CB 0.645 38.906 38.487 -0.378 0.000 1.566 514 N HN 0.065 nan 8.380 nan 0.000 0.546 515 L N -1.244 119.351 121.223 -1.046 0.000 2.034 515 L HA -0.170 4.170 4.340 -0.000 0.000 0.217 515 L C 0.446 177.076 176.870 -0.401 0.000 1.077 515 L CA 1.476 55.845 54.840 -0.785 0.000 0.769 515 L CB -0.641 41.059 42.059 -0.598 0.000 0.890 515 L HN 0.517 nan 8.230 nan 0.000 0.435 516 K N 0.094 120.322 120.400 -0.286 0.000 2.368 516 K HA 0.204 4.524 4.320 -0.000 0.000 0.282 516 K C -2.085 174.442 176.600 -0.121 0.000 1.035 516 K CA -1.950 54.242 56.287 -0.159 0.000 0.973 516 K CB 0.027 32.455 32.500 -0.120 0.000 0.957 516 K HN -0.187 nan 8.250 nan 0.000 0.474 517 P HA -0.148 nan 4.420 nan 0.000 0.271 517 P C -0.016 177.285 177.300 0.000 0.000 1.212 517 P CA 0.039 63.142 63.100 0.005 0.000 0.788 517 P CB 0.387 32.098 31.700 0.019 0.000 0.865 518 L N 1.221 122.475 121.223 0.051 0.000 2.581 518 L HA -0.103 4.237 4.340 -0.000 0.000 0.299 518 L C 1.099 177.948 176.870 -0.036 0.000 1.261 518 L CA 1.207 56.047 54.840 -0.000 0.000 0.866 518 L CB -0.120 41.967 42.059 0.046 0.000 1.113 518 L HN 0.542 nan 8.230 nan 0.000 0.514 519 E N 2.535 122.683 120.200 -0.086 0.000 2.759 519 E HA 0.191 4.541 4.350 -0.000 0.000 0.318 519 E C -1.160 175.351 176.600 -0.149 0.000 1.093 519 E CA -0.465 55.881 56.400 -0.091 0.000 0.762 519 E CB 1.232 30.885 29.700 -0.078 0.000 1.543 519 E HN 0.321 nan 8.360 nan 0.000 0.381 520 V N 3.586 123.410 119.914 -0.150 0.000 2.720 520 V HA 0.002 4.122 4.120 -0.000 0.000 0.307 520 V C 0.650 176.573 176.094 -0.286 0.000 1.071 520 V CA 0.893 63.065 62.300 -0.214 0.000 1.199 520 V CB 0.201 31.947 31.823 -0.130 0.000 0.900 520 V HN 0.569 nan 8.190 nan 0.000 0.494 521 R N 3.972 124.161 120.500 -0.518 0.000 2.867 521 R HA 0.750 5.090 4.340 -0.000 0.000 0.268 521 R C -0.941 174.983 176.300 -0.627 0.000 1.014 521 R CA -1.089 54.627 56.100 -0.639 0.000 0.946 521 R CB 2.345 32.084 30.300 -0.935 0.000 1.208 521 R HN 0.609 nan 8.270 nan 0.000 0.477 522 R N -0.057 120.263 120.500 -0.300 0.000 2.599 522 R HA 0.532 4.872 4.340 -0.000 0.000 0.295 522 R C -0.726 175.689 176.300 0.193 0.000 0.963 522 R CA -0.631 55.441 56.100 -0.046 0.000 0.883 522 R CB 2.191 32.467 30.300 -0.041 0.000 1.171 522 R HN 0.877 nan 8.270 nan 0.000 0.450 523 G N 2.596 111.583 108.800 0.312 0.000 3.429 523 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.605 523 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.605 523 G C -0.600 174.539 174.900 0.398 0.000 0.973 523 G CA -0.808 44.483 45.100 0.318 0.000 0.774 523 G HN 0.520 nan 8.290 nan 0.000 0.422 524 L N 4.272 125.630 121.223 0.224 0.000 2.312 524 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 524 L C 1.634 178.528 176.870 0.040 0.000 1.091 524 L CA -0.819 53.971 54.840 -0.084 0.000 0.846 524 L CB 0.190 42.152 42.059 -0.162 0.000 1.219 524 L HN 0.770 nan 8.230 nan 0.000 0.439 525 R N 2.298 122.841 120.500 0.072 0.000 3.591 525 R HA -0.311 4.029 4.340 -0.000 0.000 0.268 525 R C 1.456 177.850 176.300 0.156 0.000 1.102 525 R CA 0.663 56.841 56.100 0.130 0.000 0.732 525 R CB -2.058 28.327 30.300 0.142 0.000 1.117 525 R HN 0.868 nan 8.270 nan 0.000 0.472 526 A N 0.520 123.431 122.820 0.152 0.000 1.944 526 A HA -0.384 3.936 4.320 -0.000 0.000 0.222 526 A C 2.092 179.767 177.584 0.151 0.000 1.237 526 A CA 2.300 54.427 52.037 0.151 0.000 0.668 526 A CB -0.311 18.772 19.000 0.139 0.000 0.830 526 A HN 0.460 nan 8.150 nan 0.000 0.471 527 Q N -1.193 118.696 119.800 0.147 0.000 1.967 527 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 527 Q C 2.337 178.462 176.000 0.207 0.000 0.985 527 Q CA 2.501 58.395 55.803 0.152 0.000 0.839 527 Q CB -1.040 27.772 28.738 0.124 0.000 0.906 527 Q HN 0.668 nan 8.270 nan 0.000 0.423 528 T N -0.368 114.329 114.554 0.239 0.000 2.635 528 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 528 T C 1.941 176.830 174.700 0.315 0.000 1.040 528 T CA 1.548 63.793 62.100 0.241 0.000 1.156 528 T CB -0.714 68.346 68.868 0.319 0.000 0.863 528 T HN 0.366 nan 8.240 nan 0.000 0.430 529 c N 1.524 120.315 118.600 0.319 0.000 2.449 529 c HA 0.273 4.843 4.570 -0.000 0.000 0.283 529 c C 3.063 177.307 174.090 0.256 0.000 1.453 529 c CA -0.108 56.416 56.329 0.325 0.000 1.779 529 c CB -1.656 40.978 42.510 0.208 0.000 1.779 529 c HN 0.646 nan 8.230 nan 0.000 0.546 530 A N 0.002 122.955 122.820 0.221 0.000 1.970 530 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 530 A C 1.792 179.507 177.584 0.218 0.000 1.170 530 A CA 0.966 53.115 52.037 0.186 0.000 0.645 530 A CB -0.627 18.468 19.000 0.158 0.000 0.816 530 A HN 0.494 nan 8.150 nan 0.000 0.447 531 F N -0.394 119.577 119.950 0.034 0.000 2.051 531 F HA -0.162 4.365 4.527 -0.000 0.000 0.296 531 F C 1.949 177.729 175.800 -0.033 0.000 1.122 531 F CA 1.471 59.434 58.000 -0.061 0.000 1.201 531 F CB -0.914 37.820 39.000 -0.443 0.000 0.978 531 F HN 0.383 nan 8.300 nan 0.000 0.472 532 W N 0.957 122.101 121.300 -0.260 0.000 2.354 532 W HA -0.213 4.447 4.660 -0.000 0.000 0.315 532 W C 2.341 178.743 176.519 -0.195 0.000 1.206 532 W CA 1.238 58.369 57.345 -0.356 0.000 1.290 532 W CB -0.745 28.652 29.460 -0.105 0.000 1.152 532 W HN 0.008 nan 8.180 nan 0.000 0.489 533 N N -0.297 118.513 118.700 0.183 0.000 2.354 533 N HA -0.027 4.713 4.740 -0.000 0.000 0.179 533 N C 1.572 177.124 175.510 0.070 0.000 1.021 533 N CA 1.043 54.154 53.050 0.102 0.000 0.887 533 N CB -0.359 38.185 38.487 0.096 0.000 0.974 533 N HN 0.289 nan 8.380 nan 0.000 0.437 534 R N -0.974 119.580 120.500 0.090 0.000 2.098 534 R HA 0.170 4.509 4.340 -0.000 0.000 0.203 534 R C 1.622 178.002 176.300 0.134 0.000 1.166 534 R CA 0.078 56.242 56.100 0.107 0.000 1.090 534 R CB -0.415 29.967 30.300 0.137 0.000 0.992 534 R HN 0.093 nan 8.270 nan 0.000 0.477 535 F N 2.072 122.005 119.950 -0.028 0.000 2.059 535 F HA -0.001 4.526 4.527 -0.000 0.000 0.289 535 F C 2.126 177.860 175.800 -0.110 0.000 1.128 535 F CA 0.860 58.841 58.000 -0.032 0.000 1.181 535 F CB -0.767 38.266 39.000 0.055 0.000 1.012 535 F HN -0.138 nan 8.300 nan 0.000 0.473 536 L N 0.885 121.750 121.223 -0.596 0.000 2.085 536 L HA -0.248 4.092 4.340 -0.000 0.000 0.218 536 L C -0.509 176.094 176.870 -0.445 0.000 1.080 536 L CA 2.583 56.973 54.840 -0.750 0.000 0.776 536 L CB -2.029 39.487 42.059 -0.905 0.000 0.891 536 L HN 0.146 nan 8.230 nan 0.000 0.437 537 P HA -0.191 nan 4.420 nan 0.000 0.215 537 P C 1.304 178.513 177.300 -0.152 0.000 1.157 537 P CA 1.637 64.650 63.100 -0.145 0.000 0.868 537 P CB -0.123 31.534 31.700 -0.072 0.000 0.788 538 K N -0.571 119.731 120.400 -0.163 0.000 2.365 538 K HA -0.013 4.307 4.320 -0.000 0.000 0.199 538 K C 2.056 178.547 176.600 -0.181 0.000 1.045 538 K CA 0.881 57.097 56.287 -0.117 0.000 0.962 538 K CB -1.040 31.444 32.500 -0.027 0.000 0.759 538 K HN 0.221 nan 8.250 nan 0.000 0.469 539 L N 1.130 122.131 121.223 -0.370 0.000 2.072 539 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 539 L C 2.360 179.108 176.870 -0.203 0.000 1.079 539 L CA 0.897 55.516 54.840 -0.368 0.000 0.752 539 L CB -0.147 41.538 42.059 -0.623 0.000 0.906 539 L HN 0.174 nan 8.230 nan 0.000 0.436 540 L N -0.591 120.515 121.223 -0.194 0.000 2.056 540 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 540 L C 2.348 179.171 176.870 -0.079 0.000 1.078 540 L CA 1.422 56.191 54.840 -0.118 0.000 0.749 540 L CB -0.397 41.598 42.059 -0.107 0.000 0.901 540 L HN 0.337 nan 8.230 nan 0.000 0.433 541 S N -0.842 114.813 115.700 -0.076 0.000 2.786 541 S HA 0.213 4.683 4.470 -0.000 0.000 0.223 541 S C 1.183 175.760 174.600 -0.038 0.000 0.956 541 S CA 0.362 58.533 58.200 -0.048 0.000 0.961 541 S CB 0.223 63.399 63.200 -0.039 0.000 0.784 541 S HN 0.343 nan 8.310 nan 0.000 0.519 542 A N 1.557 124.351 122.820 -0.044 0.000 2.026 542 A HA 0.347 4.666 4.320 -0.000 0.000 0.198 542 A C 1.365 178.935 177.584 -0.023 0.000 1.390 542 A CA 0.622 52.643 52.037 -0.027 0.000 0.915 542 A CB -0.418 18.566 19.000 -0.026 0.000 0.974 542 A HN 0.585 nan 8.150 nan 0.000 0.477 543 T N 0.000 114.535 114.554 -0.032 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 543 T CB 0.000 68.851 68.868 -0.028 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658