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 2xup_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPPXXAG GNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSAFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.627 176.600 0.045 0.000 1.382 4 E CA 0.000 56.420 56.400 0.033 0.000 0.976 4 E CB 0.000 29.720 29.700 0.033 0.000 0.812 5 D N 4.936 125.372 120.400 0.060 0.000 2.441 5 D HA 0.357 5.017 4.640 0.033 0.000 0.231 5 D C -1.884 174.463 176.300 0.080 0.000 1.073 5 D CA -2.323 51.727 54.000 0.083 0.000 0.850 5 D CB 1.807 42.684 40.800 0.128 0.000 1.062 5 D HN 0.177 nan 8.370 nan 0.000 0.524 6 P HA -0.179 nan 4.420 nan 0.000 0.217 6 P C 1.248 178.572 177.300 0.040 0.000 1.148 6 P CA 1.053 64.175 63.100 0.036 0.000 0.834 6 P CB 0.391 32.097 31.700 0.010 0.000 0.783 7 Q N -1.018 118.794 119.800 0.021 0.000 2.170 7 Q HA -0.039 4.321 4.340 0.033 0.000 0.203 7 Q C 1.892 178.007 176.000 0.191 0.000 0.976 7 Q CA 1.096 56.906 55.803 0.011 0.000 0.858 7 Q CB -0.583 28.012 28.738 -0.237 0.000 0.907 7 Q HN 0.400 nan 8.270 nan 0.000 0.433 8 L N -0.035 121.302 121.223 0.191 0.000 2.592 8 L HA 0.201 4.561 4.340 0.033 0.000 0.227 8 L C 0.459 177.508 176.870 0.298 0.000 1.127 8 L CA -0.110 54.853 54.840 0.204 0.000 0.884 8 L CB 0.250 42.352 42.059 0.072 0.000 1.065 8 L HN 0.010 nan 8.230 nan 0.000 0.457 9 L N 0.901 122.267 121.223 0.238 0.000 2.294 9 L HA 0.487 4.847 4.340 0.033 0.000 0.283 9 L C -0.882 176.055 176.870 0.110 0.000 1.015 9 L CA -0.350 54.602 54.840 0.187 0.000 0.831 9 L CB 2.013 44.134 42.059 0.103 0.000 1.217 9 L HN -0.201 nan 8.230 nan 0.000 0.420 10 V N 3.832 123.789 119.914 0.072 0.000 2.735 10 V HA 0.474 4.614 4.120 0.033 0.000 0.310 10 V C -0.281 175.748 176.094 -0.109 0.000 1.061 10 V CA -0.831 61.361 62.300 -0.181 0.000 0.913 10 V CB 2.351 33.776 31.823 -0.662 0.000 1.005 10 V HN 0.689 nan 8.190 nan 0.000 0.428 11 R N 3.293 123.695 120.500 -0.163 0.000 2.247 11 R HA 0.648 5.008 4.340 0.033 0.000 0.329 11 R C -0.568 175.634 176.300 -0.164 0.000 1.014 11 R CA -0.349 55.687 56.100 -0.107 0.000 0.907 11 R CB 1.167 31.411 30.300 -0.093 0.000 1.146 11 R HN 0.707 nan 8.270 nan 0.000 0.499 12 V N 1.764 121.630 119.914 -0.080 0.000 3.262 12 V HA 0.387 4.527 4.120 0.033 0.000 0.313 12 V C 1.329 177.346 176.094 -0.129 0.000 1.070 12 V CA -0.694 61.558 62.300 -0.079 0.000 1.049 12 V CB 1.425 33.355 31.823 0.178 0.000 1.157 12 V HN 0.789 nan 8.190 nan 0.000 0.454 13 R N 1.274 121.681 120.500 -0.156 0.000 2.105 13 R HA -0.070 4.290 4.340 0.033 0.000 0.239 13 R C 2.007 178.159 176.300 -0.246 0.000 1.135 13 R CA 1.728 57.724 56.100 -0.172 0.000 0.967 13 R CB -0.848 29.365 30.300 -0.145 0.000 0.861 13 R HN 0.987 nan 8.270 nan 0.000 0.442 14 G N -0.460 108.136 108.800 -0.339 0.000 2.985 14 G HA2 0.292 4.272 3.960 0.033 0.000 0.209 14 G HA3 0.292 4.272 3.960 0.033 0.000 0.209 14 G C 0.383 174.371 174.900 -1.520 0.000 1.165 14 G CA 0.561 45.227 45.100 -0.725 0.000 0.776 14 G HN 0.593 nan 8.290 nan 0.000 0.541 15 G N -1.060 107.106 108.800 -1.056 0.000 2.340 15 G HA2 0.136 4.116 3.960 0.033 0.000 0.282 15 G HA3 0.136 4.116 3.960 0.033 0.000 0.282 15 G C -1.132 173.695 174.900 -0.122 0.000 1.312 15 G CA -0.967 43.617 45.100 -0.861 0.000 0.942 15 G HN 0.246 nan 8.290 nan 0.000 0.495 16 Q N -0.540 119.376 119.800 0.195 0.000 2.227 16 Q HA 0.728 5.089 4.340 0.033 0.000 0.245 16 Q C -0.500 175.798 176.000 0.496 0.000 0.926 16 Q CA -0.334 55.645 55.803 0.294 0.000 0.895 16 Q CB 2.074 30.921 28.738 0.181 0.000 1.230 16 Q HN 0.471 nan 8.270 nan 0.000 0.450 17 L N 0.998 122.427 121.223 0.344 0.000 2.371 17 L HA 0.603 4.963 4.340 0.033 0.000 0.262 17 L C -0.489 176.569 176.870 0.313 0.000 1.006 17 L CA -0.806 54.245 54.840 0.351 0.000 0.818 17 L CB 2.398 44.715 42.059 0.432 0.000 1.354 17 L HN 0.471 nan 8.230 nan 0.000 0.415 18 R N 0.750 121.399 120.500 0.250 0.000 2.388 18 R HA 0.613 4.973 4.340 0.033 0.000 0.314 18 R C -0.292 176.063 176.300 0.093 0.000 0.959 18 R CA -0.324 55.885 56.100 0.182 0.000 0.851 18 R CB 1.564 31.915 30.300 0.085 0.000 1.168 18 R HN 0.806 nan 8.270 nan 0.000 0.472 19 G N 3.368 112.140 108.800 -0.046 0.000 2.537 19 G HA2 0.413 4.393 3.960 0.033 0.000 0.297 19 G HA3 0.413 4.393 3.960 0.033 0.000 0.297 19 G C -0.872 173.796 174.900 -0.386 0.000 1.310 19 G CA -0.750 43.997 45.100 -0.588 0.000 1.027 19 G HN 0.609 nan 8.290 nan 0.000 0.505 20 I N -1.047 119.266 120.570 -0.428 0.000 2.646 20 I HA 0.569 4.759 4.170 0.033 0.000 0.299 20 I C -0.097 175.884 176.117 -0.226 0.000 1.036 20 I CA -1.285 59.861 61.300 -0.257 0.000 1.074 20 I CB 2.066 39.929 38.000 -0.228 0.000 1.258 20 I HN 0.465 nan 8.210 nan 0.000 0.430 21 R N 7.451 127.857 120.500 -0.157 0.000 2.210 21 R HA 0.524 4.884 4.340 0.033 0.000 0.338 21 R C -1.578 174.626 176.300 -0.159 0.000 1.062 21 R CA -0.362 55.637 56.100 -0.167 0.000 0.902 21 R CB 0.494 30.647 30.300 -0.246 0.000 1.050 21 R HN 0.655 nan 8.270 nan 0.000 0.461 22 L N 3.006 124.156 121.223 -0.123 0.000 2.358 22 L HA 0.494 4.854 4.340 0.033 0.000 0.268 22 L C -0.282 176.523 176.870 -0.108 0.000 1.032 22 L CA -1.168 53.615 54.840 -0.096 0.000 0.805 22 L CB 1.390 43.426 42.059 -0.037 0.000 1.253 22 L HN 0.458 nan 8.230 nan 0.000 0.452 23 K N 1.341 121.680 120.400 -0.102 0.000 2.265 23 K HA 0.689 5.030 4.320 0.033 0.000 0.267 23 K C -1.091 175.441 176.600 -0.113 0.000 0.994 23 K CA -0.162 56.067 56.287 -0.097 0.000 0.860 23 K CB 1.567 34.021 32.500 -0.076 0.000 1.099 23 K HN 0.611 nan 8.250 nan 0.000 0.448 24 A N 5.365 128.124 122.820 -0.103 0.000 2.356 24 A HA 0.580 4.920 4.320 0.033 0.000 0.323 24 A C -1.999 175.584 177.584 -0.002 0.000 1.119 24 A CA -1.866 50.107 52.037 -0.107 0.000 0.790 24 A CB 0.889 19.803 19.000 -0.143 0.000 1.273 24 A HN 0.688 nan 8.150 nan 0.000 0.452 25 P HA -0.138 nan 4.420 nan 0.000 0.217 25 P C 1.240 178.568 177.300 0.045 0.000 1.151 25 P CA 2.167 65.312 63.100 0.076 0.000 0.849 25 P CB 0.275 32.047 31.700 0.120 0.000 0.787 26 G N -2.556 106.272 108.800 0.047 0.000 3.126 26 G HA2 0.477 4.457 3.960 0.033 0.000 0.224 26 G HA3 0.477 4.457 3.960 0.033 0.000 0.224 26 G C 0.461 175.376 174.900 0.025 0.000 1.142 26 G CA 0.443 45.564 45.100 0.035 0.000 0.759 26 G HN 0.597 nan 8.290 nan 0.000 0.550 27 G N -0.413 108.394 108.800 0.012 0.000 2.337 27 G HA2 0.407 4.387 3.960 0.033 0.000 0.298 27 G HA3 0.407 4.387 3.960 0.033 0.000 0.298 27 G C -3.404 171.484 174.900 -0.020 0.000 1.335 27 G CA -0.770 44.333 45.100 0.004 0.000 0.875 27 G HN 0.016 nan 8.290 nan 0.000 0.579 28 P HA 0.509 nan 4.420 nan 0.000 0.274 28 P C -0.089 177.214 177.300 0.005 0.000 1.231 28 P CA -0.206 62.824 63.100 -0.118 0.000 0.790 28 P CB 1.605 33.095 31.700 -0.350 0.000 0.951 29 V N -1.298 118.619 119.914 0.005 0.000 2.962 29 V HA 0.614 4.754 4.120 0.033 0.000 0.313 29 V C -0.279 175.905 176.094 0.150 0.000 1.099 29 V CA -0.904 61.479 62.300 0.139 0.000 0.971 29 V CB 1.797 33.702 31.823 0.136 0.000 1.028 29 V HN 0.428 nan 8.190 nan 0.000 0.430 30 S N 1.961 117.812 115.700 0.252 0.000 2.480 30 S HA 0.849 5.339 4.470 0.033 0.000 0.286 30 S C 0.082 174.701 174.600 0.032 0.000 1.180 30 S CA -0.018 58.270 58.200 0.145 0.000 1.075 30 S CB 1.262 64.652 63.200 0.317 0.000 0.996 30 S HN 1.529 nan 8.310 nan 0.000 0.487 31 A N 2.541 125.181 122.820 -0.300 0.000 2.355 31 A HA 0.823 5.163 4.320 0.033 0.000 0.317 31 A C -1.191 175.936 177.584 -0.762 0.000 1.094 31 A CA -0.659 51.096 52.037 -0.470 0.000 0.764 31 A CB 0.531 19.216 19.000 -0.525 0.000 1.230 31 A HN 0.697 nan 8.150 nan 0.000 0.448 32 F N 2.637 122.394 119.950 -0.321 0.000 2.451 32 F HA 0.403 4.950 4.527 0.033 0.000 0.367 32 F C -0.264 175.336 175.800 -0.335 0.000 1.100 32 F CA -0.273 57.610 58.000 -0.195 0.000 1.171 32 F CB 0.911 39.930 39.000 0.032 0.000 1.405 32 F HN 0.342 nan 8.300 nan 0.000 0.482 33 L N 1.615 122.647 121.223 -0.319 0.000 2.325 33 L HA 0.711 5.071 4.340 0.033 0.000 0.279 33 L C 1.083 177.829 176.870 -0.207 0.000 1.054 33 L CA -0.826 53.771 54.840 -0.405 0.000 0.804 33 L CB 1.264 42.873 42.059 -0.750 0.000 1.200 33 L HN 0.765 nan 8.230 nan 0.000 0.436 34 G N 2.908 111.651 108.800 -0.095 0.000 2.225 34 G HA2 -0.250 3.730 3.960 0.033 0.000 0.264 34 G HA3 -0.250 3.730 3.960 0.033 0.000 0.264 34 G C -0.089 174.836 174.900 0.043 0.000 1.060 34 G CA -0.403 44.658 45.100 -0.066 0.000 0.833 34 G HN 0.496 nan 8.290 nan 0.000 0.498 35 I N 2.035 122.645 120.570 0.067 0.000 2.452 35 I HA 0.222 4.412 4.170 0.033 0.000 0.287 35 I C -1.440 174.736 176.117 0.098 0.000 1.079 35 I CA -2.000 59.327 61.300 0.045 0.000 1.387 35 I CB 0.877 38.846 38.000 -0.052 0.000 1.404 35 I HN -0.029 nan 8.210 nan 0.000 0.522 36 P HA 0.037 nan 4.420 nan 0.000 0.276 36 P C -0.181 177.045 177.300 -0.122 0.000 1.243 36 P CA -0.016 62.939 63.100 -0.242 0.000 0.768 36 P CB 0.446 32.019 31.700 -0.212 0.000 0.856 37 F N 1.472 121.259 119.950 -0.271 0.000 2.706 37 F HA 0.718 5.265 4.527 0.033 0.000 0.308 37 F C 0.070 175.864 175.800 -0.010 0.000 1.095 37 F CA -0.794 57.113 58.000 -0.155 0.000 1.244 37 F CB 0.200 38.998 39.000 -0.337 0.000 1.063 37 F HN 0.320 nan 8.300 nan 0.000 0.582 38 A N 0.181 122.723 122.820 -0.463 0.000 2.572 38 A HA 0.527 4.867 4.320 0.033 0.000 0.295 38 A C -0.813 176.604 177.584 -0.279 0.000 1.072 38 A CA -0.806 51.050 52.037 -0.301 0.000 0.691 38 A CB 0.942 19.694 19.000 -0.414 0.000 1.291 38 A HN 0.078 nan 8.150 nan 0.000 0.404 39 E N 1.393 121.515 120.200 -0.130 0.000 2.452 39 E HA 0.155 4.525 4.350 0.033 0.000 0.261 39 E C -2.270 174.232 176.600 -0.163 0.000 0.987 39 E CA -0.992 55.345 56.400 -0.105 0.000 0.926 39 E CB -0.073 29.603 29.700 -0.040 0.000 0.934 39 E HN 0.249 nan 8.360 nan 0.000 0.452 40 P HA -0.015 nan 4.420 nan 0.000 0.261 40 P C -2.212 175.019 177.300 -0.114 0.000 1.183 40 P CA -0.672 62.335 63.100 -0.155 0.000 0.761 40 P CB -0.013 31.634 31.700 -0.090 0.000 0.785 41 P HA 0.028 nan 4.420 nan 0.000 0.220 41 P C -0.408 176.834 177.300 -0.096 0.000 1.806 41 P CA 0.075 63.120 63.100 -0.091 0.000 0.976 41 P CB -0.062 31.588 31.700 -0.083 0.000 1.952 42 V N -2.671 117.191 119.914 -0.087 0.000 3.103 42 V HA 0.917 5.057 4.120 0.033 0.000 0.318 42 V C 0.904 176.952 176.094 -0.077 0.000 1.114 42 V CA 0.112 62.356 62.300 -0.092 0.000 1.020 42 V CB 0.933 32.708 31.823 -0.079 0.000 1.085 42 V HN 0.536 nan 8.190 nan 0.000 0.446 43 G N 2.249 111.002 108.800 -0.078 0.000 2.574 43 G HA2 -0.340 3.640 3.960 0.033 0.000 0.301 43 G HA3 -0.340 3.640 3.960 0.033 0.000 0.301 43 G C 1.239 176.101 174.900 -0.064 0.000 1.166 43 G CA 1.603 46.668 45.100 -0.058 0.000 0.971 43 G HN 2.397 nan 8.290 nan 0.000 0.542 44 S N 0.489 116.167 115.700 -0.038 0.000 2.562 44 S HA 0.161 4.651 4.470 0.033 0.000 0.221 44 S C 1.968 176.554 174.600 -0.023 0.000 0.975 44 S CA 1.228 59.416 58.200 -0.021 0.000 0.918 44 S CB 0.069 63.269 63.200 -0.001 0.000 0.772 44 S HN 0.675 nan 8.310 nan 0.000 0.531 45 R N 0.870 121.345 120.500 -0.041 0.000 2.299 45 R HA 0.238 4.598 4.340 0.033 0.000 0.197 45 R C 1.012 177.271 176.300 -0.069 0.000 0.971 45 R CA -0.138 55.942 56.100 -0.034 0.000 1.030 45 R CB -0.051 30.228 30.300 -0.035 0.000 0.932 45 R HN 0.364 nan 8.270 nan 0.000 0.477 46 R N 0.943 121.348 120.500 -0.159 0.000 2.538 46 R HA -0.150 4.210 4.340 0.033 0.000 0.282 46 R C -0.452 175.640 176.300 -0.348 0.000 1.009 46 R CA 0.670 56.554 56.100 -0.359 0.000 1.063 46 R CB 0.106 30.051 30.300 -0.591 0.000 0.945 46 R HN 0.133 nan 8.270 nan 0.000 0.414 47 F N -0.692 119.280 119.950 0.036 0.000 2.517 47 F HA -0.306 4.241 4.527 0.033 0.000 0.434 47 F C 0.171 175.973 175.800 0.004 0.000 0.564 47 F CA 0.570 58.572 58.000 0.003 0.000 1.414 47 F CB -1.750 37.244 39.000 -0.010 0.000 2.009 47 F HN 0.475 nan 8.300 nan 0.000 0.274 48 M N 1.571 121.255 119.600 0.140 0.000 2.291 48 M HA 0.386 4.886 4.480 0.033 0.000 0.324 48 M C -1.944 174.399 176.300 0.071 0.000 1.148 48 M CA -1.443 53.915 55.300 0.096 0.000 1.104 48 M CB 0.365 33.004 32.600 0.065 0.000 1.483 48 M HN -0.361 nan 8.290 nan 0.000 0.467 49 P HA 0.021 nan 4.420 nan 0.000 0.264 49 P C -2.380 174.957 177.300 0.063 0.000 1.179 49 P CA -0.385 62.759 63.100 0.073 0.000 0.763 49 P CB -0.525 31.224 31.700 0.083 0.000 0.806 50 P HA 0.096 nan 4.420 nan 0.000 0.272 50 P C -0.384 176.955 177.300 0.066 0.000 1.223 50 P CA 0.332 63.465 63.100 0.055 0.000 0.784 50 P CB 0.772 32.528 31.700 0.093 0.000 0.923 51 E N 1.675 121.900 120.200 0.041 0.000 2.207 51 E HA 0.420 4.790 4.350 0.033 0.000 0.270 51 E C -2.319 174.323 176.600 0.070 0.000 0.927 51 E CA -2.338 54.095 56.400 0.055 0.000 0.799 51 E CB 0.617 30.340 29.700 0.038 0.000 1.172 51 E HN 0.287 nan 8.360 nan 0.000 0.404 52 P HA 0.010 nan 4.420 nan 0.000 0.268 52 P C -0.339 177.031 177.300 0.117 0.000 1.205 52 P CA -0.172 63.012 63.100 0.140 0.000 0.771 52 P CB 0.413 32.198 31.700 0.141 0.000 0.858 53 K N 3.858 124.347 120.400 0.149 0.000 2.451 53 K HA 0.028 4.368 4.320 0.033 0.000 0.280 53 K C 0.026 176.738 176.600 0.187 0.000 1.020 53 K CA 0.347 56.722 56.287 0.148 0.000 1.008 53 K CB 0.146 32.766 32.500 0.201 0.000 0.917 53 K HN 0.275 nan 8.250 nan 0.000 0.478 54 R N 5.264 125.857 120.500 0.155 0.000 2.590 54 R HA 0.114 4.474 4.340 0.033 0.000 0.274 54 R C -1.891 174.532 176.300 0.205 0.000 1.061 54 R CA -1.498 54.686 56.100 0.141 0.000 1.081 54 R CB -0.096 30.269 30.300 0.108 0.000 0.984 54 R HN 0.620 nan 8.270 nan 0.000 0.448 55 P HA -0.116 nan 4.420 nan 0.000 0.266 55 P C -1.068 176.293 177.300 0.101 0.000 1.193 55 P CA 0.343 63.401 63.100 -0.070 0.000 0.770 55 P CB 0.256 31.881 31.700 -0.124 0.000 0.836 56 W N 0.800 122.135 121.300 0.058 0.000 2.820 56 W HA 0.657 5.337 4.660 0.033 0.000 0.350 56 W C -0.407 176.138 176.519 0.044 0.000 1.116 56 W CA -1.006 56.370 57.345 0.052 0.000 1.146 56 W CB 0.157 29.656 29.460 0.066 0.000 1.433 56 W HN 0.404 nan 8.180 nan 0.000 0.561 57 S N 1.376 117.244 115.700 0.281 0.000 2.693 57 S HA 0.798 5.288 4.470 0.033 0.000 0.276 57 S C 0.696 175.445 174.600 0.248 0.000 1.192 57 S CA 0.086 58.386 58.200 0.167 0.000 0.994 57 S CB 0.748 64.016 63.200 0.113 0.000 1.012 57 S HN 2.114 nan 8.310 nan 0.000 0.550 58 G N 0.013 108.908 108.800 0.157 0.000 2.578 58 G HA2 -0.191 3.789 3.960 0.033 0.000 0.284 58 G HA3 -0.191 3.789 3.960 0.033 0.000 0.284 58 G C -0.489 174.551 174.900 0.233 0.000 1.283 58 G CA -0.076 45.117 45.100 0.155 0.000 0.944 58 G HN 1.679 nan 8.290 nan 0.000 0.558 59 V N 0.602 120.628 119.914 0.186 0.000 2.370 59 V HA 0.537 4.677 4.120 0.033 0.000 0.283 59 V C 0.529 176.714 176.094 0.151 0.000 1.023 59 V CA -0.355 62.064 62.300 0.198 0.000 0.857 59 V CB 1.251 33.151 31.823 0.129 0.000 0.985 59 V HN 0.799 nan 8.190 nan 0.000 0.443 60 L N 4.243 125.556 121.223 0.151 0.000 2.290 60 L HA 0.423 4.783 4.340 0.033 0.000 0.284 60 L C 0.269 177.117 176.870 -0.037 0.000 1.078 60 L CA 0.069 54.860 54.840 -0.082 0.000 0.815 60 L CB 0.991 42.738 42.059 -0.520 0.000 1.162 60 L HN 0.766 nan 8.230 nan 0.000 0.435 61 D N 4.426 124.789 120.400 -0.061 0.000 2.363 61 D HA 0.328 4.988 4.640 0.033 0.000 0.263 61 D C -0.098 176.154 176.300 -0.081 0.000 1.258 61 D CA 0.549 54.516 54.000 -0.055 0.000 0.907 61 D CB 0.888 41.648 40.800 -0.068 0.000 1.107 61 D HN 0.654 nan 8.370 nan 0.000 0.495 62 A N 3.272 126.064 122.820 -0.047 0.000 3.105 62 A HA 0.279 4.619 4.320 0.033 0.000 0.297 62 A C 0.840 178.336 177.584 -0.147 0.000 0.977 62 A CA -0.303 51.699 52.037 -0.059 0.000 1.020 62 A CB -0.073 18.981 19.000 0.090 0.000 1.098 62 A HN 0.580 nan 8.150 nan 0.000 0.497 63 T N -3.266 111.180 114.554 -0.181 0.000 3.044 63 T HA 0.301 4.671 4.350 0.033 0.000 0.260 63 T C 0.626 175.164 174.700 -0.270 0.000 1.019 63 T CA 0.723 62.687 62.100 -0.227 0.000 0.921 63 T CB -0.151 68.618 68.868 -0.166 0.000 1.053 63 T HN 0.757 nan 8.240 nan 0.000 0.533 64 T N -0.521 113.870 114.554 -0.272 0.000 2.883 64 T HA 0.697 5.067 4.350 0.033 0.000 0.301 64 T C -0.874 173.657 174.700 -0.282 0.000 1.158 64 T CA -0.891 61.041 62.100 -0.281 0.000 1.007 64 T CB 1.027 69.800 68.868 -0.157 0.000 1.186 64 T HN -0.015 nan 8.240 nan 0.000 0.499 65 F N 2.151 122.025 119.950 -0.126 0.000 2.563 65 F HA 0.301 4.848 4.527 0.034 0.000 0.363 65 F C 1.523 177.217 175.800 -0.178 0.000 1.123 65 F CA -0.113 57.813 58.000 -0.123 0.000 1.307 65 F CB 0.444 39.402 39.000 -0.070 0.000 1.115 65 F HN 0.463 nan 8.300 nan 0.000 0.592 66 Q N 1.545 121.332 119.800 -0.022 0.000 2.162 66 Q HA 0.223 4.583 4.340 0.033 0.000 0.197 66 Q C -0.147 175.778 176.000 -0.125 0.000 1.013 66 Q CA -0.849 54.801 55.803 -0.256 0.000 1.040 66 Q CB 0.515 28.782 28.738 -0.786 0.000 1.114 66 Q HN 0.508 nan 8.270 nan 0.000 0.547 67 N N -0.037 118.569 118.700 -0.156 0.000 2.374 67 N HA 0.019 4.779 4.740 0.033 0.000 0.241 67 N C -0.503 174.981 175.510 -0.044 0.000 1.262 67 N CA 0.121 53.121 53.050 -0.083 0.000 0.880 67 N CB 0.372 38.819 38.487 -0.066 0.000 1.105 67 N HN 0.177 nan 8.380 nan 0.000 0.438 68 V N 1.683 121.541 119.914 -0.092 0.000 2.583 68 V HA 0.056 4.196 4.120 0.033 0.000 0.287 68 V C 0.789 176.816 176.094 -0.111 0.000 1.051 68 V CA -0.801 61.428 62.300 -0.118 0.000 1.010 68 V CB 0.880 32.593 31.823 -0.182 0.000 0.988 68 V HN 0.709 nan 8.190 nan 0.000 0.478 69 c N 4.324 122.878 118.600 -0.076 0.000 2.665 69 c HA 0.075 4.665 4.570 0.033 0.000 0.416 69 c C 0.511 174.547 174.090 -0.090 0.000 1.305 69 c CA -0.444 55.851 56.329 -0.057 0.000 1.903 69 c CB -0.858 41.650 42.510 -0.002 0.000 2.704 69 c HN 0.758 nan 8.230 nan 0.000 0.629 70 Y N 3.618 123.781 120.300 -0.229 0.000 2.544 70 Y HA 0.306 4.876 4.550 0.033 0.000 0.330 70 Y C 0.747 176.671 175.900 0.041 0.000 1.136 70 Y CA 0.895 58.861 58.100 -0.223 0.000 1.417 70 Y CB 0.159 38.269 38.460 -0.583 0.000 1.229 70 Y HN 0.746 nan 8.280 nan 0.000 0.532 71 Q N 3.706 123.569 119.800 0.105 0.000 2.633 71 Q HA 0.232 4.592 4.340 0.033 0.000 0.289 71 Q C -2.007 174.139 176.000 0.242 0.000 0.940 71 Q CA -1.197 54.765 55.803 0.264 0.000 0.785 71 Q CB 1.305 30.107 28.738 0.106 0.000 1.467 71 Q HN 0.653 nan 8.270 nan 0.000 0.401 72 Y N 1.052 121.516 120.300 0.273 0.000 2.442 72 Y HA 0.369 4.939 4.550 0.033 0.000 0.330 72 Y C -0.716 175.272 175.900 0.147 0.000 1.129 72 Y CA 0.085 58.320 58.100 0.225 0.000 1.365 72 Y CB 1.054 39.676 38.460 0.270 0.000 1.233 72 Y HN 0.454 nan 8.280 nan 0.000 0.529 73 V N 6.655 126.379 119.914 -0.316 0.000 2.407 73 V HA 0.065 4.206 4.120 0.033 0.000 0.278 73 V C -0.069 175.949 176.094 -0.126 0.000 1.037 73 V CA -0.970 61.225 62.300 -0.174 0.000 0.900 73 V CB 1.242 32.943 31.823 -0.204 0.000 0.983 73 V HN 0.709 nan 8.190 nan 0.000 0.459 74 D N 3.662 124.128 120.400 0.110 0.000 2.450 74 D HA 0.069 4.729 4.640 0.033 0.000 0.247 74 D C 0.855 177.223 176.300 0.113 0.000 1.162 74 D CA 0.428 54.556 54.000 0.213 0.000 0.879 74 D CB 1.509 42.476 40.800 0.280 0.000 1.163 74 D HN 0.787 nan 8.370 nan 0.000 0.472 75 T N 1.149 115.769 114.554 0.109 0.000 3.231 75 T HA 0.032 4.402 4.350 0.033 0.000 0.292 75 T C 1.577 176.274 174.700 -0.004 0.000 1.001 75 T CA -0.479 61.646 62.100 0.043 0.000 0.920 75 T CB -0.004 68.867 68.868 0.004 0.000 1.140 75 T HN 0.204 nan 8.240 nan 0.000 0.525 76 L N 0.917 122.118 121.223 -0.037 0.000 2.012 76 L HA 0.159 4.519 4.340 0.033 0.000 0.210 76 L C -0.288 176.296 176.870 -0.476 0.000 1.073 76 L CA 1.713 56.359 54.840 -0.323 0.000 0.748 76 L CB -0.446 41.307 42.059 -0.510 0.000 0.891 76 L HN 0.453 nan 8.230 nan 0.000 0.431 77 Y N -0.128 120.187 120.300 0.025 0.000 2.749 77 Y HA 0.430 5.000 4.550 0.033 0.000 0.343 77 Y C -2.249 173.686 175.900 0.058 0.000 1.015 77 Y CA -3.641 54.459 58.100 -0.001 0.000 1.270 77 Y CB 0.033 38.442 38.460 -0.086 0.000 1.097 77 Y HN 0.086 nan 8.280 nan 0.000 0.571 78 P HA 0.219 nan 4.420 nan 0.000 0.271 78 P C 0.997 178.354 177.300 0.094 0.000 1.226 78 P CA 0.988 64.145 63.100 0.094 0.000 0.765 78 P CB 0.989 32.718 31.700 0.048 0.000 0.835 79 G N 2.445 111.286 108.800 0.070 0.000 2.217 79 G HA2 -0.270 3.710 3.960 0.033 0.000 0.246 79 G HA3 -0.270 3.710 3.960 0.033 0.000 0.246 79 G C -0.152 174.782 174.900 0.056 0.000 0.990 79 G CA -0.441 44.683 45.100 0.040 0.000 0.627 79 G HN 0.530 nan 8.290 nan 0.000 0.522 80 F N 2.208 122.113 119.950 -0.076 0.000 2.420 80 F HA 0.630 5.177 4.527 0.033 0.000 0.352 80 F C 1.303 176.999 175.800 -0.173 0.000 1.108 80 F CA -0.250 57.655 58.000 -0.159 0.000 1.162 80 F CB 1.232 40.108 39.000 -0.206 0.000 1.118 80 F HN 0.184 nan 8.300 nan 0.000 0.510 81 E N 3.655 123.343 120.200 -0.853 0.000 2.085 81 E HA -0.125 4.245 4.350 0.033 0.000 0.194 81 E C 2.194 178.291 176.600 -0.837 0.000 0.994 81 E CA 1.506 57.473 56.400 -0.721 0.000 0.801 81 E CB -0.345 28.998 29.700 -0.596 0.000 0.743 81 E HN 1.026 nan 8.360 nan 0.000 0.453 82 G N -0.329 107.477 108.800 -1.657 0.000 2.475 82 G HA2 -0.344 3.636 3.960 0.033 0.000 0.220 82 G HA3 -0.344 3.636 3.960 0.033 0.000 0.220 82 G C 1.643 176.604 174.900 0.102 0.000 1.125 82 G CA 1.773 46.273 45.100 -1.000 0.000 0.755 82 G HN 0.482 nan 8.290 nan 0.000 0.565 83 T N -2.254 112.360 114.554 0.100 0.000 3.042 83 T HA 0.189 4.559 4.350 0.033 0.000 0.245 83 T C 1.932 176.799 174.700 0.279 0.000 1.029 83 T CA 0.842 63.241 62.100 0.497 0.000 1.120 83 T CB 0.109 69.304 68.868 0.545 0.000 0.917 83 T HN 0.288 nan 8.240 nan 0.000 0.467 84 E N 1.480 121.705 120.200 0.043 0.000 2.347 84 E HA 0.060 4.430 4.350 0.033 0.000 0.196 84 E C 2.018 178.534 176.600 -0.141 0.000 1.008 84 E CA 0.666 57.048 56.400 -0.030 0.000 0.852 84 E CB -0.403 29.257 29.700 -0.067 0.000 0.783 84 E HN 0.775 nan 8.360 nan 0.000 0.505 85 M N -2.184 117.252 119.600 -0.274 0.000 2.557 85 M HA -0.009 4.491 4.480 0.033 0.000 0.259 85 M C 0.906 176.850 176.300 -0.594 0.000 1.086 85 M CA 1.201 56.205 55.300 -0.494 0.000 1.096 85 M CB -0.188 32.022 32.600 -0.649 0.000 1.424 85 M HN 0.016 nan 8.290 nan 0.000 0.488 86 W N 0.698 121.917 121.300 -0.135 0.000 2.996 86 W HA 0.285 4.965 4.660 0.033 0.000 0.270 86 W C 0.560 176.976 176.519 -0.172 0.000 1.280 86 W CA -0.840 56.407 57.345 -0.164 0.000 1.549 86 W CB -0.192 29.208 29.460 -0.100 0.000 1.079 86 W HN 0.080 nan 8.180 nan 0.000 0.629 87 N N 1.753 120.475 118.700 0.038 0.000 2.453 87 N HA 0.062 4.822 4.740 0.033 0.000 0.253 87 N C -2.410 173.027 175.510 -0.121 0.000 1.252 87 N CA -0.978 52.052 53.050 -0.035 0.000 0.917 87 N CB -0.175 38.296 38.487 -0.028 0.000 1.117 87 N HN -0.321 nan 8.380 nan 0.000 0.442 88 P HA 0.012 nan 4.420 nan 0.000 0.261 88 P C 0.331 177.528 177.300 -0.170 0.000 1.183 88 P CA 0.135 63.127 63.100 -0.180 0.000 0.761 88 P CB 0.236 31.823 31.700 -0.188 0.000 0.785 89 N N 2.746 121.333 118.700 -0.189 0.000 2.203 89 N HA 0.055 4.815 4.740 0.033 0.000 0.207 89 N C 0.168 175.595 175.510 -0.138 0.000 1.130 89 N CA 0.101 53.050 53.050 -0.168 0.000 0.861 89 N CB 0.385 38.755 38.487 -0.196 0.000 1.005 89 N HN 0.143 nan 8.380 nan 0.000 0.507 90 R N 0.295 120.710 120.500 -0.141 0.000 2.888 90 R HA 0.337 4.697 4.340 0.033 0.000 0.264 90 R C -0.112 176.114 176.300 -0.122 0.000 1.045 90 R CA -0.666 55.368 56.100 -0.109 0.000 0.962 90 R CB 0.775 31.022 30.300 -0.088 0.000 1.210 90 R HN 0.107 nan 8.270 nan 0.000 0.479 91 E N 1.498 121.634 120.200 -0.106 0.000 2.467 91 E HA 0.002 4.372 4.350 0.033 0.000 0.264 91 E C -0.076 176.439 176.600 -0.143 0.000 1.020 91 E CA 0.319 56.651 56.400 -0.113 0.000 0.945 91 E CB 0.454 30.103 29.700 -0.085 0.000 0.942 91 E HN 0.266 nan 8.360 nan 0.000 0.449 92 L N 1.798 122.905 121.223 -0.193 0.000 2.349 92 L HA 0.263 4.623 4.340 0.033 0.000 0.275 92 L C 0.661 177.448 176.870 -0.139 0.000 1.115 92 L CA -0.069 54.596 54.840 -0.292 0.000 0.820 92 L CB 1.007 42.680 42.059 -0.643 0.000 1.135 92 L HN 0.330 nan 8.230 nan 0.000 0.445 93 S N 0.848 116.508 115.700 -0.066 0.000 2.537 93 S HA 0.202 4.692 4.470 0.033 0.000 0.271 93 S C 0.309 174.917 174.600 0.013 0.000 1.148 93 S CA -0.645 57.584 58.200 0.048 0.000 0.868 93 S CB 1.716 64.919 63.200 0.005 0.000 1.115 93 S HN 0.750 nan 8.310 nan 0.000 0.461 94 E N 0.958 121.129 120.200 -0.048 0.000 2.204 94 E HA -0.089 4.281 4.350 0.033 0.000 0.194 94 E C -0.266 176.272 176.600 -0.103 0.000 0.989 94 E CA 0.580 56.868 56.400 -0.186 0.000 0.824 94 E CB 0.080 29.621 29.700 -0.266 0.000 0.756 94 E HN 0.542 nan 8.360 nan 0.000 0.477 95 D N 0.189 120.564 120.400 -0.041 0.000 2.383 95 D HA -0.016 4.644 4.640 0.033 0.000 0.245 95 D C 0.094 176.463 176.300 0.115 0.000 1.263 95 D CA -0.143 53.864 54.000 0.011 0.000 0.936 95 D CB 0.144 40.970 40.800 0.043 0.000 1.053 95 D HN 0.150 nan 8.370 nan 0.000 0.507 96 c N 2.482 121.125 118.600 0.072 0.000 4.150 96 c HA 0.286 4.876 4.570 0.033 0.000 0.330 96 c C 0.799 174.945 174.090 0.093 0.000 1.905 96 c CA -0.600 55.833 56.329 0.173 0.000 1.724 96 c CB -1.177 41.371 42.510 0.065 0.000 3.096 96 c HN 0.464 nan 8.230 nan 0.000 0.601 97 L N 2.421 123.455 121.223 -0.315 0.000 2.376 97 L HA 0.324 4.684 4.340 0.033 0.000 0.250 97 L C -0.871 175.375 176.870 -1.039 0.000 1.335 97 L CA 0.704 55.128 54.840 -0.694 0.000 1.214 97 L CB -0.977 40.518 42.059 -0.940 0.000 1.395 97 L HN 0.408 nan 8.230 nan 0.000 0.424 98 Y N 1.322 121.574 120.300 -0.079 0.000 2.536 98 Y HA 0.625 5.195 4.550 0.033 0.000 0.347 98 Y C 0.003 176.074 175.900 0.285 0.000 1.000 98 Y CA -1.324 56.812 58.100 0.059 0.000 1.051 98 Y CB 1.930 40.383 38.460 -0.011 0.000 1.259 98 Y HN 0.156 nan 8.280 nan 0.000 0.468 99 L N 0.029 121.434 121.223 0.304 0.000 2.301 99 L HA 0.759 5.119 4.340 0.033 0.000 0.264 99 L C -1.135 175.732 176.870 -0.006 0.000 1.016 99 L CA -1.163 53.733 54.840 0.094 0.000 0.821 99 L CB 1.532 43.471 42.059 -0.201 0.000 1.346 99 L HN 0.465 nan 8.230 nan 0.000 0.429 100 N N 0.367 119.067 118.700 -0.000 0.000 2.284 100 N HA 0.672 5.432 4.740 0.033 0.000 0.300 100 N C -1.436 173.969 175.510 -0.175 0.000 1.047 100 N CA -0.427 52.530 53.050 -0.155 0.000 0.821 100 N CB 2.819 41.210 38.487 -0.160 0.000 1.337 100 N HN 0.487 nan 8.380 nan 0.000 0.482 101 V N 1.557 121.292 119.914 -0.297 0.000 2.540 101 V HA 0.474 4.614 4.120 0.033 0.000 0.302 101 V C -0.740 175.263 176.094 -0.152 0.000 1.035 101 V CA -0.762 61.443 62.300 -0.159 0.000 0.873 101 V CB 2.260 33.839 31.823 -0.407 0.000 0.992 101 V HN 0.556 nan 8.190 nan 0.000 0.428 102 W N 2.910 124.292 121.300 0.136 0.000 2.587 102 W HA 0.650 5.330 4.660 0.034 0.000 0.324 102 W C 0.148 176.769 176.519 0.171 0.000 1.040 102 W CA -0.427 57.009 57.345 0.152 0.000 1.222 102 W CB 2.458 31.988 29.460 0.116 0.000 1.381 102 W HN 0.671 nan 8.180 nan 0.000 0.483 103 T N 0.166 114.971 114.554 0.418 0.000 2.887 103 T HA 0.603 4.973 4.350 0.033 0.000 0.292 103 T C -2.799 172.074 174.700 0.288 0.000 1.087 103 T CA -2.520 59.781 62.100 0.334 0.000 1.009 103 T CB 2.268 71.350 68.868 0.357 0.000 1.203 103 T HN -0.075 nan 8.240 nan 0.000 0.518 104 P HA 0.261 nan 4.420 nan 0.000 0.272 104 P C -1.602 175.838 177.300 0.233 0.000 1.230 104 P CA -0.317 62.901 63.100 0.198 0.000 0.788 104 P CB 0.127 31.911 31.700 0.140 0.000 0.949 105 Y N 3.176 123.533 120.300 0.094 0.000 2.345 105 Y HA 0.409 4.979 4.550 0.033 0.000 0.331 105 Y C -2.170 173.766 175.900 0.059 0.000 0.959 105 Y CA -2.496 55.652 58.100 0.080 0.000 1.204 105 Y CB 1.134 39.629 38.460 0.059 0.000 1.135 105 Y HN 0.335 nan 8.280 nan 0.000 0.477 106 P HA 0.178 nan 4.420 nan 0.000 0.274 106 P C -0.870 176.387 177.300 -0.072 0.000 1.256 106 P CA -0.564 62.369 63.100 -0.278 0.000 0.795 106 P CB 0.874 32.459 31.700 -0.191 0.000 1.038 107 R N 1.362 121.820 120.500 -0.071 0.000 2.538 107 R HA 0.019 4.379 4.340 0.033 0.000 0.273 107 R C -1.894 174.423 176.300 0.029 0.000 0.967 107 R CA -0.217 55.900 56.100 0.027 0.000 1.101 107 R CB -1.338 28.967 30.300 0.009 0.000 0.908 107 R HN 0.387 nan 8.270 nan 0.000 0.411 108 P HA 0.017 nan 4.420 nan 0.000 0.268 108 P C -0.552 176.764 177.300 0.027 0.000 1.205 108 P CA 0.283 63.412 63.100 0.049 0.000 0.771 108 P CB 1.088 32.828 31.700 0.066 0.000 0.858 109 A N 2.566 125.397 122.820 0.018 0.000 1.897 109 A HA 0.024 4.364 4.320 0.033 0.000 0.215 109 A C 0.978 178.566 177.584 0.007 0.000 1.181 109 A CA 1.566 53.607 52.037 0.007 0.000 0.620 109 A CB -0.697 18.306 19.000 0.005 0.000 0.821 109 A HN 0.620 nan 8.150 nan 0.000 0.443 110 S N -0.840 114.866 115.700 0.011 0.000 2.536 110 S HA 0.614 5.104 4.470 0.033 0.000 0.298 110 S C -3.146 171.462 174.600 0.014 0.000 1.083 110 S CA -1.790 56.414 58.200 0.008 0.000 0.995 110 S CB 1.256 64.458 63.200 0.003 0.000 1.058 110 S HN 0.002 nan 8.310 nan 0.000 0.488 111 P HA 0.020 nan 4.420 nan 0.000 0.257 111 P C -0.495 176.816 177.300 0.018 0.000 1.144 111 P CA 0.749 63.858 63.100 0.016 0.000 0.761 111 P CB -0.182 31.519 31.700 0.002 0.000 0.734 112 T N 5.633 120.209 114.554 0.037 0.000 2.859 112 T HA 0.413 4.783 4.350 0.033 0.000 0.281 112 T C -2.372 172.350 174.700 0.037 0.000 1.005 112 T CA -1.915 60.208 62.100 0.039 0.000 1.025 112 T CB 0.970 69.876 68.868 0.063 0.000 0.977 112 T HN 0.115 nan 8.240 nan 0.000 0.458 113 P HA 0.146 nan 4.420 nan 0.000 0.265 113 P C -0.988 176.342 177.300 0.050 0.000 1.187 113 P CA -0.142 62.966 63.100 0.014 0.000 0.766 113 P CB 0.404 32.097 31.700 -0.011 0.000 0.820 114 V N 5.272 125.229 119.914 0.072 0.000 2.409 114 V HA 0.311 4.451 4.120 0.033 0.000 0.291 114 V C 0.208 176.379 176.094 0.129 0.000 1.020 114 V CA -0.467 61.903 62.300 0.118 0.000 0.848 114 V CB 1.289 33.197 31.823 0.143 0.000 0.990 114 V HN 0.351 nan 8.190 nan 0.000 0.430 115 L N 6.022 127.332 121.223 0.145 0.000 2.295 115 L HA 0.594 4.954 4.340 0.033 0.000 0.285 115 L C -0.483 176.624 176.870 0.395 0.000 1.035 115 L CA -0.172 54.772 54.840 0.173 0.000 0.806 115 L CB 1.539 43.564 42.059 -0.057 0.000 1.214 115 L HN 0.489 nan 8.230 nan 0.000 0.426 116 I N 2.845 123.702 120.570 0.477 0.000 2.382 116 I HA 0.194 4.384 4.170 0.033 0.000 0.285 116 I C -0.678 175.744 176.117 0.509 0.000 1.007 116 I CA -0.460 61.097 61.300 0.428 0.000 1.142 116 I CB 1.183 39.303 38.000 0.200 0.000 1.289 116 I HN 0.640 nan 8.210 nan 0.000 0.453 117 W N 8.425 129.859 121.300 0.223 0.000 2.315 117 W HA 0.564 5.244 4.660 0.033 0.000 0.316 117 W C -1.433 175.000 176.519 -0.143 0.000 1.211 117 W CA -0.525 56.722 57.345 -0.164 0.000 1.201 117 W CB 1.251 30.628 29.460 -0.138 0.000 1.184 117 W HN 0.363 nan 8.180 nan 0.000 0.544 118 I N 8.927 128.843 120.570 -1.089 0.000 2.448 118 I HA 0.057 4.247 4.170 0.033 0.000 0.281 118 I C -0.312 174.985 176.117 -1.366 0.000 1.027 118 I CA -1.101 59.640 61.300 -0.933 0.000 1.111 118 I CB 0.706 38.349 38.000 -0.595 0.000 1.236 118 I HN 0.295 nan 8.210 nan 0.000 0.452 119 Y N 4.385 124.178 120.300 -0.846 0.000 2.607 119 Y HA 0.548 5.118 4.550 0.033 0.000 0.348 119 Y C 0.865 176.589 175.900 -0.294 0.000 1.261 119 Y CA -0.536 57.231 58.100 -0.555 0.000 1.480 119 Y CB -0.138 38.214 38.460 -0.181 0.000 1.358 119 Y HN 0.525 nan 8.280 nan 0.000 0.630 120 G N -0.762 108.044 108.800 0.011 0.000 2.606 120 G HA2 0.491 4.471 3.960 0.033 0.000 0.262 120 G HA3 0.491 4.471 3.960 0.033 0.000 0.262 120 G C 0.339 175.212 174.900 -0.045 0.000 1.394 120 G CA -0.910 44.142 45.100 -0.079 0.000 1.044 120 G HN 1.731 nan 8.290 nan 0.000 0.553 121 G N -2.841 105.779 108.800 -0.299 0.000 2.207 121 G HA2 0.402 4.382 3.960 0.033 0.000 0.193 121 G HA3 0.402 4.382 3.960 0.033 0.000 0.193 121 G C 1.037 175.520 174.900 -0.696 0.000 1.050 121 G CA 0.688 45.504 45.100 -0.475 0.000 0.780 121 G HN 2.292 nan 8.290 nan 0.000 0.504 122 G N -0.359 107.974 108.800 -0.779 0.000 2.296 122 G HA2 -0.115 3.865 3.960 0.033 0.000 0.282 122 G HA3 -0.115 3.865 3.960 0.033 0.000 0.282 122 G C 0.914 175.490 174.900 -0.541 0.000 1.014 122 G CA 0.804 45.139 45.100 -1.276 0.000 0.812 122 G HN 1.770 nan 8.290 nan 0.000 0.508 123 F N -3.599 116.267 119.950 -0.139 0.000 2.871 123 F HA -0.317 4.230 4.527 0.033 0.000 0.326 123 F C 1.428 177.389 175.800 0.270 0.000 0.675 123 F CA 2.184 60.234 58.000 0.083 0.000 1.188 123 F CB -2.095 36.803 39.000 -0.170 0.000 1.567 123 F HN 0.924 nan 8.300 nan 0.000 0.325 124 Y N -1.084 119.324 120.300 0.180 0.000 2.432 124 Y HA 0.630 5.199 4.550 0.033 0.000 0.252 124 Y C 0.600 176.599 175.900 0.166 0.000 1.097 124 Y CA 0.338 58.580 58.100 0.237 0.000 1.250 124 Y CB 0.095 38.678 38.460 0.204 0.000 1.245 124 Y HN 0.080 nan 8.280 nan 0.000 0.522 125 S N -0.369 114.955 115.700 -0.627 0.000 2.720 125 S HA 0.919 5.410 4.470 0.033 0.000 0.287 125 S C -0.136 174.241 174.600 -0.372 0.000 1.168 125 S CA -0.472 57.412 58.200 -0.526 0.000 0.832 125 S CB 1.595 64.308 63.200 -0.811 0.000 1.166 125 S HN 1.364 nan 8.310 nan 0.000 0.493 126 G N -0.726 107.827 108.800 -0.413 0.000 2.459 126 G HA2 0.545 4.525 3.960 0.033 0.000 0.685 126 G HA3 0.545 4.525 3.960 0.033 0.000 0.685 126 G C -0.709 173.528 174.900 -1.106 0.000 1.303 126 G CA -0.208 44.472 45.100 -0.700 0.000 0.907 126 G HN 2.194 nan 8.290 nan 0.000 0.632 127 A N -1.044 120.989 122.820 -1.312 0.000 2.594 127 A HA 0.983 5.323 4.320 0.033 0.000 0.296 127 A C 0.536 177.938 177.584 -0.304 0.000 1.056 127 A CA 0.655 52.240 52.037 -0.753 0.000 0.693 127 A CB 0.880 19.646 19.000 -0.389 0.000 1.278 127 A HN 2.583 nan 8.150 nan 0.000 0.408 128 A N 0.528 123.384 122.820 0.061 0.000 2.208 128 A HA 0.254 4.594 4.320 0.033 0.000 0.209 128 A C 1.671 179.267 177.584 0.020 0.000 1.161 128 A CA 1.758 53.999 52.037 0.339 0.000 0.782 128 A CB -0.529 18.734 19.000 0.437 0.000 0.816 128 A HN 1.735 nan 8.150 nan 0.000 0.477 129 S N -0.233 115.226 115.700 -0.401 0.000 2.593 129 S HA 0.290 4.780 4.470 0.033 0.000 0.217 129 S C 0.549 174.702 174.600 -0.744 0.000 0.966 129 S CA -0.425 57.067 58.200 -1.180 0.000 0.914 129 S CB -0.569 61.926 63.200 -1.174 0.000 0.776 129 S HN 0.412 nan 8.310 nan 0.000 0.523 130 L N 2.384 123.326 121.223 -0.468 0.000 2.483 130 L HA 0.142 4.502 4.340 0.033 0.000 0.276 130 L C 1.071 177.605 176.870 -0.560 0.000 1.213 130 L CA -0.425 54.082 54.840 -0.555 0.000 0.843 130 L CB 0.196 41.790 42.059 -0.775 0.000 1.107 130 L HN 0.086 nan 8.230 nan 0.000 0.487 131 D N 1.298 121.412 120.400 -0.477 0.000 2.178 131 D HA -0.127 4.533 4.640 0.033 0.000 0.201 131 D C 1.962 177.998 176.300 -0.439 0.000 0.980 131 D CA 1.258 55.051 54.000 -0.344 0.000 0.842 131 D CB 0.039 40.679 40.800 -0.267 0.000 0.948 131 D HN 0.554 nan 8.370 nan 0.000 0.472 132 V N -1.329 118.175 119.914 -0.682 0.000 3.305 132 V HA -0.126 4.014 4.120 0.033 0.000 0.269 132 V C 1.063 176.589 176.094 -0.947 0.000 1.157 132 V CA 0.890 62.760 62.300 -0.716 0.000 1.157 132 V CB -1.132 30.250 31.823 -0.735 0.000 0.772 132 V HN 0.028 nan 8.190 nan 0.000 0.498 133 Y N 0.151 119.903 120.300 -0.915 0.000 2.571 133 Y HA 0.447 5.017 4.550 0.033 0.000 0.275 133 Y C 0.830 176.141 175.900 -0.981 0.000 1.179 133 Y CA -1.968 55.239 58.100 -1.487 0.000 1.242 133 Y CB -0.754 37.210 38.460 -0.827 0.000 1.126 133 Y HN 0.255 nan 8.280 nan 0.000 0.524 134 D N 0.843 120.945 120.400 -0.497 0.000 2.389 134 D HA 0.056 4.716 4.640 0.033 0.000 0.263 134 D C 1.376 177.383 176.300 -0.489 0.000 1.255 134 D CA 0.432 54.224 54.000 -0.347 0.000 0.914 134 D CB 1.177 41.914 40.800 -0.105 0.000 1.116 134 D HN 0.450 nan 8.370 nan 0.000 0.502 135 G N 3.798 111.733 108.800 -1.441 0.000 2.920 135 G HA2 -0.130 3.850 3.960 0.033 0.000 0.208 135 G HA3 -0.130 3.850 3.960 0.033 0.000 0.208 135 G C 1.436 175.765 174.900 -0.951 0.000 1.159 135 G CA 0.125 44.560 45.100 -1.108 0.000 0.784 135 G HN 0.600 nan 8.290 nan 0.000 0.535 136 R N -0.777 119.093 120.500 -1.050 0.000 2.090 136 R HA 0.095 4.455 4.340 0.033 0.000 0.228 136 R C 1.754 177.811 176.300 -0.405 0.000 1.110 136 R CA 0.930 56.651 56.100 -0.631 0.000 0.973 136 R CB -0.680 29.268 30.300 -0.586 0.000 0.869 136 R HN 0.263 nan 8.270 nan 0.000 0.440 137 F N 1.773 121.626 119.950 -0.161 0.000 2.102 137 F HA -0.031 4.517 4.527 0.034 0.000 0.298 137 F C 2.265 178.008 175.800 -0.096 0.000 1.105 137 F CA 1.026 58.962 58.000 -0.106 0.000 1.239 137 F CB -0.542 38.389 39.000 -0.114 0.000 0.991 137 F HN -0.121 nan 8.300 nan 0.000 0.474 138 L N -0.318 120.938 121.223 0.056 0.000 2.046 138 L HA -0.199 4.161 4.340 0.033 0.000 0.208 138 L C 2.745 179.620 176.870 0.009 0.000 1.077 138 L CA 1.066 55.897 54.840 -0.015 0.000 0.747 138 L CB -0.968 41.031 42.059 -0.100 0.000 0.896 138 L HN 0.186 nan 8.230 nan 0.000 0.432 139 A N -0.772 122.056 122.820 0.014 0.000 1.865 139 A HA -0.267 4.073 4.320 0.033 0.000 0.217 139 A C 2.287 179.912 177.584 0.069 0.000 1.191 139 A CA 1.790 53.873 52.037 0.076 0.000 0.623 139 A CB -0.562 18.521 19.000 0.138 0.000 0.826 139 A HN 0.409 nan 8.150 nan 0.000 0.444 140 Q N -0.199 119.625 119.800 0.040 0.000 2.020 140 Q HA -0.079 4.281 4.340 0.033 0.000 0.198 140 Q C 2.244 178.275 176.000 0.050 0.000 0.974 140 Q CA 2.011 57.843 55.803 0.048 0.000 0.829 140 Q CB -0.325 28.424 28.738 0.019 0.000 0.894 140 Q HN 0.404 nan 8.270 nan 0.000 0.433 141 V N 1.648 121.591 119.914 0.048 0.000 2.283 141 V HA -0.167 3.973 4.120 0.033 0.000 0.243 141 V C 1.967 178.077 176.094 0.026 0.000 1.039 141 V CA 1.847 64.169 62.300 0.038 0.000 1.016 141 V CB -0.360 31.485 31.823 0.037 0.000 0.650 141 V HN 0.291 nan 8.190 nan 0.000 0.449 142 E N 0.004 120.216 120.200 0.020 0.000 2.478 142 E HA 0.139 4.509 4.350 0.033 0.000 0.194 142 E C 1.709 178.325 176.600 0.027 0.000 1.045 142 E CA 0.770 57.178 56.400 0.014 0.000 0.868 142 E CB -0.036 29.664 29.700 -0.001 0.000 0.885 142 E HN 0.660 nan 8.360 nan 0.000 0.505 143 G N 1.467 110.293 108.800 0.042 0.000 2.198 143 G HA2 -0.289 3.691 3.960 0.033 0.000 0.260 143 G HA3 -0.289 3.691 3.960 0.033 0.000 0.260 143 G C 0.448 175.386 174.900 0.063 0.000 1.025 143 G CA 0.406 45.540 45.100 0.056 0.000 0.769 143 G HN 0.514 nan 8.290 nan 0.000 0.507 144 A N -1.073 121.785 122.820 0.064 0.000 2.271 144 A HA 0.809 5.150 4.320 0.033 0.000 0.288 144 A C 0.321 177.979 177.584 0.122 0.000 1.094 144 A CA -0.093 51.987 52.037 0.072 0.000 0.828 144 A CB 1.489 20.514 19.000 0.041 0.000 1.091 144 A HN 1.122 nan 8.150 nan 0.000 0.493 145 V N 1.715 121.710 119.914 0.135 0.000 2.347 145 V HA 0.415 4.555 4.120 0.033 0.000 0.280 145 V C -0.395 175.824 176.094 0.208 0.000 1.021 145 V CA -0.158 62.252 62.300 0.184 0.000 0.847 145 V CB 0.830 32.755 31.823 0.169 0.000 0.990 145 V HN 0.712 nan 8.190 nan 0.000 0.444 146 L N 6.445 127.844 121.223 0.293 0.000 2.333 146 L HA 0.776 5.136 4.340 0.033 0.000 0.280 146 L C -0.817 176.336 176.870 0.472 0.000 1.004 146 L CA -0.196 54.866 54.840 0.370 0.000 0.820 146 L CB 1.809 44.079 42.059 0.353 0.000 1.247 146 L HN 0.439 nan 8.230 nan 0.000 0.416 147 V N 3.137 123.308 119.914 0.427 0.000 2.715 147 V HA 0.772 4.912 4.120 0.033 0.000 0.310 147 V C -0.498 175.857 176.094 0.436 0.000 1.054 147 V CA -0.393 62.118 62.300 0.351 0.000 0.928 147 V CB 2.096 34.054 31.823 0.225 0.000 1.007 147 V HN 0.865 nan 8.190 nan 0.000 0.437 148 S N 4.647 120.582 115.700 0.392 0.000 2.546 148 S HA 0.815 5.305 4.470 0.033 0.000 0.272 148 S C -0.902 173.848 174.600 0.251 0.000 1.140 148 S CA -0.845 57.590 58.200 0.391 0.000 0.920 148 S CB 2.108 65.670 63.200 0.603 0.000 1.083 148 S HN 0.861 nan 8.310 nan 0.000 0.476 149 M N 1.490 121.192 119.600 0.170 0.000 2.598 149 M HA 0.655 5.155 4.480 0.033 0.000 0.317 149 M C -1.432 175.056 176.300 0.314 0.000 1.179 149 M CA -0.496 54.894 55.300 0.150 0.000 0.936 149 M CB 0.950 33.466 32.600 -0.139 0.000 1.713 149 M HN 0.558 nan 8.290 nan 0.000 0.460 150 N N 2.270 121.224 118.700 0.424 0.000 2.524 150 N HA 0.574 5.334 4.740 0.033 0.000 0.283 150 N C -1.359 174.416 175.510 0.441 0.000 1.142 150 N CA 0.091 53.403 53.050 0.437 0.000 0.984 150 N CB 0.656 39.347 38.487 0.340 0.000 1.155 150 N HN 0.738 nan 8.380 nan 0.000 0.467 151 Y N -1.992 118.482 120.300 0.290 0.000 2.581 151 Y HA 0.564 5.134 4.550 0.033 0.000 0.345 151 Y C -0.113 175.925 175.900 0.231 0.000 1.036 151 Y CA -1.338 56.891 58.100 0.215 0.000 1.042 151 Y CB 0.900 39.425 38.460 0.109 0.000 1.289 151 Y HN 0.192 nan 8.280 nan 0.000 0.471 152 R N 1.750 122.413 120.500 0.272 0.000 2.537 152 R HA 0.491 4.851 4.340 0.033 0.000 0.280 152 R C -0.422 176.058 176.300 0.300 0.000 1.058 152 R CA -0.193 56.020 56.100 0.188 0.000 1.057 152 R CB 0.866 31.242 30.300 0.126 0.000 0.973 152 R HN 0.708 nan 8.270 nan 0.000 0.438 153 V N -0.293 119.831 119.914 0.350 0.000 3.113 153 V HA 0.874 5.014 4.120 0.033 0.000 0.316 153 V C 0.715 177.167 176.094 0.598 0.000 1.125 153 V CA -0.181 62.446 62.300 0.545 0.000 1.026 153 V CB 1.265 33.294 31.823 0.343 0.000 1.080 153 V HN 0.975 nan 8.190 nan 0.000 0.444 154 G N 2.096 111.299 108.800 0.673 0.000 2.578 154 G HA2 -0.286 3.694 3.960 0.033 0.000 0.275 154 G HA3 -0.286 3.694 3.960 0.033 0.000 0.275 154 G C 0.979 176.070 174.900 0.318 0.000 1.271 154 G CA 1.526 46.960 45.100 0.557 0.000 0.941 154 G HN 2.313 nan 8.290 nan 0.000 0.564 155 T N -1.390 113.076 114.554 -0.148 0.000 2.653 155 T HA -0.235 4.135 4.350 0.033 0.000 0.268 155 T C 2.105 176.659 174.700 -0.245 0.000 1.035 155 T CA 2.831 64.549 62.100 -0.637 0.000 1.154 155 T CB -0.555 67.792 68.868 -0.868 0.000 0.862 155 T HN 0.656 nan 8.240 nan 0.000 0.441 156 F N 2.255 122.300 119.950 0.159 0.000 2.202 156 F HA 0.177 4.724 4.527 0.033 0.000 0.301 156 F C 2.815 178.661 175.800 0.078 0.000 1.082 156 F CA 0.781 58.859 58.000 0.131 0.000 1.313 156 F CB -1.072 37.950 39.000 0.037 0.000 1.024 156 F HN 0.369 nan 8.300 nan 0.000 0.495 157 G N -1.877 107.031 108.800 0.180 0.000 2.662 157 G HA2 0.015 3.995 3.960 0.033 0.000 0.212 157 G HA3 0.015 3.995 3.960 0.033 0.000 0.212 157 G C 0.881 175.325 174.900 -0.759 0.000 1.141 157 G CA 0.311 45.228 45.100 -0.306 0.000 0.797 157 G HN 0.382 nan 8.290 nan 0.000 0.531 158 F N -0.903 119.159 119.950 0.186 0.000 2.974 158 F HA 0.407 4.954 4.527 0.034 0.000 0.357 158 F C 0.402 176.300 175.800 0.163 0.000 1.114 158 F CA -0.977 57.112 58.000 0.147 0.000 1.099 158 F CB 0.269 39.366 39.000 0.161 0.000 1.205 158 F HN -0.093 nan 8.300 nan 0.000 0.535 159 L N 2.343 123.633 121.223 0.112 0.000 2.513 159 L HA 0.516 4.876 4.340 0.033 0.000 0.272 159 L C -0.023 176.811 176.870 -0.060 0.000 1.187 159 L CA 0.064 54.863 54.840 -0.069 0.000 0.895 159 L CB 0.415 42.096 42.059 -0.628 0.000 1.147 159 L HN 0.140 nan 8.230 nan 0.000 0.483 160 A N 5.953 128.799 122.820 0.044 0.000 2.398 160 A HA 0.685 5.025 4.320 0.033 0.000 0.301 160 A C -1.252 176.321 177.584 -0.018 0.000 1.041 160 A CA -0.585 51.454 52.037 0.003 0.000 0.711 160 A CB 1.340 20.376 19.000 0.060 0.000 1.240 160 A HN 0.628 nan 8.150 nan 0.000 0.420 161 L N 3.852 125.047 121.223 -0.048 0.000 2.371 161 L HA 0.363 4.723 4.340 0.033 0.000 0.262 161 L C -2.378 174.487 176.870 -0.007 0.000 1.054 161 L CA -1.300 53.523 54.840 -0.029 0.000 0.924 161 L CB 1.108 43.140 42.059 -0.045 0.000 1.295 161 L HN 0.387 nan 8.230 nan 0.000 0.441 162 P HA 0.150 nan 4.420 nan 0.000 0.265 162 P C 0.999 178.305 177.300 0.011 0.000 1.187 162 P CA 0.640 63.747 63.100 0.012 0.000 0.766 162 P CB 0.834 32.540 31.700 0.011 0.000 0.820 163 G N 1.319 110.129 108.800 0.017 0.000 2.195 163 G HA2 -0.223 3.757 3.960 0.033 0.000 0.246 163 G HA3 -0.223 3.757 3.960 0.033 0.000 0.246 163 G C 0.304 175.214 174.900 0.017 0.000 0.984 163 G CA 0.291 45.400 45.100 0.016 0.000 0.633 163 G HN 0.836 nan 8.290 nan 0.000 0.525 164 S N -0.620 115.090 115.700 0.016 0.000 2.654 164 S HA 0.694 5.184 4.470 0.033 0.000 0.283 164 S C 1.102 175.719 174.600 0.029 0.000 1.180 164 S CA 0.276 58.487 58.200 0.019 0.000 1.021 164 S CB 2.211 65.418 63.200 0.011 0.000 1.018 164 S HN 0.525 nan 8.310 nan 0.000 0.532 165 R N 0.331 120.850 120.500 0.032 0.000 2.127 165 R HA 0.033 4.393 4.340 0.033 0.000 0.217 165 R C 1.037 177.368 176.300 0.052 0.000 1.074 165 R CA 1.139 57.263 56.100 0.040 0.000 0.991 165 R CB -0.198 30.124 30.300 0.036 0.000 0.895 165 R HN 0.792 nan 8.270 nan 0.000 0.450 166 E N -0.065 120.167 120.200 0.053 0.000 2.230 166 E HA 0.101 4.471 4.350 0.033 0.000 0.192 166 E C -0.093 176.570 176.600 0.105 0.000 0.987 166 E CA 0.973 57.421 56.400 0.079 0.000 0.841 166 E CB 0.720 30.467 29.700 0.079 0.000 0.783 166 E HN 0.315 nan 8.360 nan 0.000 0.481 167 A N 1.011 123.863 122.820 0.054 0.000 3.082 167 A HA 0.306 4.646 4.320 0.033 0.000 0.328 167 A C -2.196 175.396 177.584 0.013 0.000 1.089 167 A CA -1.046 51.004 52.037 0.022 0.000 0.802 167 A CB 0.526 19.448 19.000 -0.130 0.000 1.138 167 A HN -0.076 nan 8.150 nan 0.000 0.474 168 P HA 0.163 nan 4.420 nan 0.000 0.236 168 P C 0.914 178.242 177.300 0.046 0.000 1.177 168 P CA 1.538 64.665 63.100 0.044 0.000 0.773 168 P CB 0.191 31.927 31.700 0.060 0.000 0.878 169 G N 1.115 109.941 108.800 0.043 0.000 2.781 169 G HA2 -0.219 3.761 3.960 0.033 0.000 0.683 169 G HA3 -0.219 3.761 3.960 0.033 0.000 0.683 169 G C 0.006 174.925 174.900 0.032 0.000 1.390 169 G CA -0.238 44.895 45.100 0.054 0.000 0.850 169 G HN 0.167 nan 8.290 nan 0.000 0.557 170 N N -2.490 116.237 118.700 0.044 0.000 2.778 170 N HA -0.290 4.470 4.740 0.033 0.000 0.249 170 N C 1.867 177.263 175.510 -0.189 0.000 1.069 170 N CA 2.395 55.409 53.050 -0.059 0.000 0.831 170 N CB -1.643 36.730 38.487 -0.191 0.000 1.142 170 N HN 1.900 nan 8.380 nan 0.000 0.573 171 V N -2.561 117.241 119.914 -0.187 0.000 2.515 171 V HA -0.005 4.135 4.120 0.033 0.000 0.250 171 V C 2.352 178.330 176.094 -0.193 0.000 1.058 171 V CA 2.302 64.526 62.300 -0.127 0.000 1.064 171 V CB -0.950 30.852 31.823 -0.036 0.000 0.675 171 V HN 0.263 nan 8.190 nan 0.000 0.461 172 G N 0.442 108.925 108.800 -0.529 0.000 2.432 172 G HA2 -0.148 3.832 3.960 0.033 0.000 0.219 172 G HA3 -0.148 3.832 3.960 0.033 0.000 0.219 172 G C 1.552 176.402 174.900 -0.083 0.000 1.135 172 G CA 1.197 46.097 45.100 -0.334 0.000 0.767 172 G HN 0.546 nan 8.290 nan 0.000 0.550 173 L N -0.259 120.879 121.223 -0.143 0.000 2.179 173 L HA 0.129 4.489 4.340 0.033 0.000 0.208 173 L C 2.798 179.689 176.870 0.035 0.000 1.096 173 L CA 0.219 54.953 54.840 -0.177 0.000 0.779 173 L CB -0.253 41.389 42.059 -0.695 0.000 0.922 173 L HN 0.185 nan 8.230 nan 0.000 0.443 174 L N -0.555 120.693 121.223 0.043 0.000 2.056 174 L HA -0.192 4.168 4.340 0.033 0.000 0.207 174 L C 2.204 179.197 176.870 0.204 0.000 1.078 174 L CA 0.895 55.853 54.840 0.197 0.000 0.749 174 L CB -0.629 41.528 42.059 0.164 0.000 0.901 174 L HN 0.249 nan 8.230 nan 0.000 0.433 175 D N 0.194 120.703 120.400 0.182 0.000 2.126 175 D HA -0.253 4.407 4.640 0.033 0.000 0.190 175 D C 2.256 178.701 176.300 0.242 0.000 1.001 175 D CA 1.427 55.609 54.000 0.303 0.000 0.841 175 D CB -0.298 40.695 40.800 0.322 0.000 0.949 175 D HN 0.392 nan 8.370 nan 0.000 0.446 176 Q N -0.057 119.823 119.800 0.134 0.000 2.061 176 Q HA -0.160 4.201 4.340 0.033 0.000 0.204 176 Q C 2.335 178.326 176.000 -0.014 0.000 0.984 176 Q CA 1.203 57.011 55.803 0.008 0.000 0.846 176 Q CB -0.128 28.615 28.738 0.009 0.000 0.902 176 Q HN 0.231 nan 8.270 nan 0.000 0.421 177 R N 0.589 121.189 120.500 0.167 0.000 2.083 177 R HA -0.198 4.162 4.340 0.033 0.000 0.237 177 R C 2.238 178.600 176.300 0.103 0.000 1.137 177 R CA 1.240 57.434 56.100 0.158 0.000 0.951 177 R CB -0.292 30.207 30.300 0.331 0.000 0.851 177 R HN 0.223 nan 8.270 nan 0.000 0.434 178 L N 0.788 122.101 121.223 0.149 0.000 2.042 178 L HA -0.104 4.256 4.340 0.033 0.000 0.210 178 L C 2.356 179.262 176.870 0.059 0.000 1.076 178 L CA 2.141 57.092 54.840 0.185 0.000 0.749 178 L CB -0.677 41.582 42.059 0.333 0.000 0.893 178 L HN 0.290 nan 8.230 nan 0.000 0.432 179 A N -0.939 121.704 122.820 -0.296 0.000 1.908 179 A HA -0.213 4.127 4.320 0.033 0.000 0.218 179 A C 2.138 179.663 177.584 -0.098 0.000 1.181 179 A CA 2.035 53.729 52.037 -0.572 0.000 0.627 179 A CB -0.832 17.657 19.000 -0.851 0.000 0.818 179 A HN 0.412 nan 8.150 nan 0.000 0.445 180 L N -0.649 120.537 121.223 -0.061 0.000 2.017 180 L HA -0.177 4.183 4.340 0.033 0.000 0.208 180 L C 2.669 179.598 176.870 0.099 0.000 1.073 180 L CA 2.350 57.197 54.840 0.012 0.000 0.745 180 L CB -1.021 41.007 42.059 -0.052 0.000 0.894 180 L HN 0.609 nan 8.230 nan 0.000 0.432 181 Q N -1.412 118.455 119.800 0.111 0.000 2.135 181 Q HA -0.278 4.082 4.340 0.033 0.000 0.204 181 Q C 2.200 178.296 176.000 0.159 0.000 0.981 181 Q CA 1.946 57.824 55.803 0.125 0.000 0.856 181 Q CB -0.651 28.165 28.738 0.130 0.000 0.902 181 Q HN 0.498 nan 8.270 nan 0.000 0.425 182 W N -0.583 120.738 121.300 0.035 0.000 2.335 182 W HA -0.193 4.487 4.660 0.033 0.000 0.311 182 W C 1.813 178.372 176.519 0.067 0.000 1.213 182 W CA 1.840 59.224 57.345 0.066 0.000 1.274 182 W CB -0.252 29.248 29.460 0.065 0.000 1.148 182 W HN 0.029 nan 8.180 nan 0.000 0.498 183 V N 0.953 121.111 119.914 0.407 0.000 2.332 183 V HA -0.357 3.783 4.120 0.033 0.000 0.248 183 V C 2.532 178.669 176.094 0.072 0.000 1.055 183 V CA 2.082 64.541 62.300 0.266 0.000 1.038 183 V CB -1.006 30.974 31.823 0.263 0.000 0.651 183 V HN 0.238 nan 8.190 nan 0.000 0.450 184 Q N -0.118 119.721 119.800 0.066 0.000 2.084 184 Q HA -0.226 4.134 4.340 0.033 0.000 0.202 184 Q C 2.203 178.180 176.000 -0.039 0.000 0.978 184 Q CA 1.765 57.588 55.803 0.033 0.000 0.844 184 Q CB -0.254 28.511 28.738 0.045 0.000 0.898 184 Q HN 0.735 nan 8.270 nan 0.000 0.426 185 E N -0.245 119.891 120.200 -0.107 0.000 2.216 185 E HA -0.022 4.348 4.350 0.033 0.000 0.192 185 E C 1.404 177.844 176.600 -0.267 0.000 0.988 185 E CA 0.429 56.728 56.400 -0.168 0.000 0.834 185 E CB 0.229 29.822 29.700 -0.178 0.000 0.772 185 E HN 0.319 nan 8.360 nan 0.000 0.479 186 N N -0.009 118.435 118.700 -0.427 0.000 2.382 186 N HA 0.022 4.782 4.740 0.033 0.000 0.200 186 N C 1.587 176.995 175.510 -0.171 0.000 1.122 186 N CA 0.075 52.820 53.050 -0.508 0.000 0.870 186 N CB 0.442 38.171 38.487 -1.263 0.000 1.176 186 N HN 0.034 nan 8.380 nan 0.000 0.474 187 I N 2.570 123.115 120.570 -0.041 0.000 2.361 187 I HA -0.150 4.040 4.170 0.033 0.000 0.251 187 I C 2.185 178.416 176.117 0.190 0.000 1.133 187 I CA 0.644 62.067 61.300 0.205 0.000 1.413 187 I CB -0.335 37.763 38.000 0.163 0.000 1.073 187 I HN 0.059 nan 8.210 nan 0.000 0.424 188 A N 0.274 123.126 122.820 0.053 0.000 1.986 188 A HA -0.224 4.116 4.320 0.033 0.000 0.220 188 A C 2.459 180.028 177.584 -0.025 0.000 1.171 188 A CA 1.912 53.958 52.037 0.015 0.000 0.640 188 A CB -1.158 17.828 19.000 -0.024 0.000 0.811 188 A HN 0.502 nan 8.150 nan 0.000 0.451 189 A N -1.792 120.965 122.820 -0.105 0.000 2.067 189 A HA 0.143 4.483 4.320 0.033 0.000 0.219 189 A C 1.634 179.004 177.584 -0.357 0.000 1.158 189 A CA 1.047 52.919 52.037 -0.275 0.000 0.661 189 A CB -0.590 18.147 19.000 -0.438 0.000 0.801 189 A HN 0.500 nan 8.150 nan 0.000 0.452 190 F N -1.218 118.684 119.950 -0.081 0.000 2.765 190 F HA 0.340 4.887 4.527 0.034 0.000 0.302 190 F C 1.914 177.718 175.800 0.006 0.000 1.111 190 F CA 0.776 58.739 58.000 -0.062 0.000 1.359 190 F CB 0.372 39.346 39.000 -0.044 0.000 1.097 190 F HN 0.359 nan 8.300 nan 0.000 0.577 191 G N -0.024 108.858 108.800 0.136 0.000 2.213 191 G HA2 -0.208 3.772 3.960 0.033 0.000 0.236 191 G HA3 -0.208 3.772 3.960 0.033 0.000 0.236 191 G C 0.797 175.761 174.900 0.107 0.000 0.991 191 G CA -0.302 44.857 45.100 0.099 0.000 0.629 191 G HN 0.692 nan 8.290 nan 0.000 0.517 192 G N -0.205 108.684 108.800 0.148 0.000 2.594 192 G HA2 0.426 4.406 3.960 0.033 0.000 0.243 192 G HA3 0.426 4.406 3.960 0.033 0.000 0.243 192 G C -0.596 174.353 174.900 0.082 0.000 1.229 192 G CA 0.619 45.792 45.100 0.122 0.000 0.843 192 G HN 0.330 nan 8.290 nan 0.000 0.578 193 D N 0.711 121.148 120.400 0.062 0.000 2.441 193 D HA 0.321 4.981 4.640 0.033 0.000 0.231 193 D C -1.282 175.044 176.300 0.045 0.000 1.073 193 D CA -2.394 51.625 54.000 0.032 0.000 0.850 193 D CB 1.957 42.757 40.800 -0.000 0.000 1.062 193 D HN 0.048 nan 8.370 nan 0.000 0.524 194 P HA -0.033 nan 4.420 nan 0.000 0.233 194 P C 1.002 178.391 177.300 0.149 0.000 1.167 194 P CA 0.535 63.694 63.100 0.099 0.000 0.770 194 P CB 0.123 31.866 31.700 0.072 0.000 0.837 195 M N -0.807 118.812 119.600 0.032 0.000 2.571 195 M HA 0.125 4.625 4.480 0.033 0.000 0.235 195 M C 0.421 176.331 176.300 -0.651 0.000 1.216 195 M CA 0.356 55.584 55.300 -0.121 0.000 0.979 195 M CB -0.030 32.511 32.600 -0.097 0.000 1.616 195 M HN -0.154 nan 8.290 nan 0.000 0.469 196 S N 0.631 116.131 115.700 -0.333 0.000 2.689 196 S HA 0.344 4.834 4.470 0.033 0.000 0.151 196 S C -1.169 173.456 174.600 0.043 0.000 1.155 196 S CA -0.520 57.516 58.200 -0.272 0.000 1.144 196 S CB 0.413 63.503 63.200 -0.183 0.000 1.526 196 S HN 0.031 nan 8.310 nan 0.000 0.419 197 V N 3.363 123.463 119.914 0.309 0.000 2.448 197 V HA 0.601 4.741 4.120 0.033 0.000 0.295 197 V C -0.054 176.225 176.094 0.308 0.000 1.025 197 V CA -0.349 62.130 62.300 0.299 0.000 0.859 197 V CB 2.002 34.023 31.823 0.330 0.000 0.988 197 V HN 0.715 nan 8.190 nan 0.000 0.431 198 T N 6.555 121.236 114.554 0.213 0.000 2.772 198 T HA 0.555 4.925 4.350 0.033 0.000 0.288 198 T C -0.225 174.617 174.700 0.236 0.000 0.994 198 T CA -0.349 61.877 62.100 0.210 0.000 0.951 198 T CB 0.707 69.642 68.868 0.110 0.000 0.933 198 T HN 0.344 nan 8.240 nan 0.000 0.447 199 L N 5.091 126.420 121.223 0.176 0.000 2.380 199 L HA 0.631 4.991 4.340 0.033 0.000 0.273 199 L C -0.117 176.957 176.870 0.341 0.000 1.138 199 L CA -0.616 54.291 54.840 0.112 0.000 0.832 199 L CB 0.140 42.027 42.059 -0.287 0.000 1.124 199 L HN 0.700 nan 8.230 nan 0.000 0.454 200 F N 0.281 120.300 119.950 0.114 0.000 2.613 200 F HA 0.947 5.494 4.527 0.033 0.000 0.310 200 F C -0.186 175.612 175.800 -0.003 0.000 1.085 200 F CA -0.704 57.417 58.000 0.202 0.000 0.945 200 F CB 2.242 41.509 39.000 0.444 0.000 1.298 200 F HN 0.516 nan 8.300 nan 0.000 0.455 201 G N 1.234 109.897 108.800 -0.230 0.000 2.547 201 G HA2 0.453 4.433 3.960 0.033 0.000 0.291 201 G HA3 0.453 4.433 3.960 0.033 0.000 0.291 201 G C -2.701 171.986 174.900 -0.355 0.000 1.471 201 G CA -0.734 43.816 45.100 -0.916 0.000 0.798 201 G HN 0.836 nan 8.290 nan 0.000 0.504 202 E N 0.236 120.192 120.200 -0.406 0.000 2.288 202 E HA 0.652 5.022 4.350 0.033 0.000 0.268 202 E C 0.625 177.194 176.600 -0.052 0.000 0.885 202 E CA 0.270 56.660 56.400 -0.016 0.000 0.767 202 E CB 2.242 32.076 29.700 0.223 0.000 1.220 202 E HN 0.895 nan 8.360 nan 0.000 0.427 203 S N 2.293 118.032 115.700 0.065 0.000 4.059 203 S HA -0.396 4.094 4.470 0.033 0.000 0.624 203 S C 1.492 176.204 174.600 0.185 0.000 2.019 203 S CA 2.063 60.377 58.200 0.190 0.000 4.197 203 S CB -1.544 61.722 63.200 0.111 0.000 0.215 203 S HN 0.987 nan 8.310 nan 0.000 0.609 204 A N 0.874 123.683 122.820 -0.019 0.000 1.997 204 A HA -0.024 4.316 4.320 0.033 0.000 0.221 204 A C 2.527 179.899 177.584 -0.352 0.000 1.172 204 A CA 2.912 54.726 52.037 -0.373 0.000 0.645 204 A CB -1.727 16.625 19.000 -1.080 0.000 0.813 204 A HN 1.678 nan 8.150 nan 0.000 0.454 205 G N -0.713 107.919 108.800 -0.279 0.000 2.421 205 G HA2 -0.015 3.965 3.960 0.033 0.000 0.216 205 G HA3 -0.015 3.965 3.960 0.033 0.000 0.216 205 G C 1.778 176.536 174.900 -0.237 0.000 1.171 205 G CA 1.519 46.407 45.100 -0.353 0.000 0.775 205 G HN 0.863 nan 8.290 nan 0.000 0.543 206 A N 1.335 124.085 122.820 -0.117 0.000 1.883 206 A HA 0.191 4.531 4.320 0.033 0.000 0.217 206 A C 2.859 180.454 177.584 0.019 0.000 1.186 206 A CA 2.513 54.543 52.037 -0.010 0.000 0.624 206 A CB -0.981 18.067 19.000 0.081 0.000 0.822 206 A HN 0.909 nan 8.150 nan 0.000 0.444 207 A N -0.604 122.260 122.820 0.074 0.000 1.948 207 A HA -0.119 4.221 4.320 0.033 0.000 0.220 207 A C 2.448 180.062 177.584 0.051 0.000 1.177 207 A CA 2.255 54.323 52.037 0.053 0.000 0.636 207 A CB -0.879 18.175 19.000 0.089 0.000 0.815 207 A HN 0.474 nan 8.150 nan 0.000 0.449 208 S N -0.554 115.180 115.700 0.058 0.000 2.348 208 S HA -0.130 4.360 4.470 0.033 0.000 0.221 208 S C 1.911 176.505 174.600 -0.011 0.000 1.033 208 S CA 1.349 59.542 58.200 -0.011 0.000 1.010 208 S CB -0.571 62.579 63.200 -0.083 0.000 0.891 208 S HN 0.353 nan 8.310 nan 0.000 0.442 209 V N 1.840 121.759 119.914 0.007 0.000 2.317 209 V HA -0.237 3.903 4.120 0.033 0.000 0.251 209 V C 2.588 178.704 176.094 0.038 0.000 1.065 209 V CA 2.071 64.381 62.300 0.017 0.000 1.049 209 V CB -1.527 30.272 31.823 -0.039 0.000 0.651 209 V HN 0.613 nan 8.190 nan 0.000 0.450 210 G N -1.194 107.616 108.800 0.017 0.000 2.422 210 G HA2 -0.277 3.703 3.960 0.033 0.000 0.218 210 G HA3 -0.277 3.703 3.960 0.033 0.000 0.218 210 G C 1.610 176.535 174.900 0.042 0.000 1.146 210 G CA 1.062 46.172 45.100 0.017 0.000 0.769 210 G HN 0.459 nan 8.290 nan 0.000 0.547 211 M N -0.126 119.476 119.600 0.003 0.000 2.319 211 M HA 0.038 4.538 4.480 0.033 0.000 0.265 211 M C 2.249 178.605 176.300 0.094 0.000 1.068 211 M CA 0.791 56.112 55.300 0.036 0.000 1.118 211 M CB -0.148 32.434 32.600 -0.031 0.000 1.395 211 M HN 0.227 nan 8.290 nan 0.000 0.435 212 H N -0.340 118.846 119.070 0.194 0.000 2.428 212 H HA 0.005 4.581 4.556 0.033 0.000 0.296 212 H C 2.112 177.651 175.328 0.351 0.000 1.062 212 H CA 1.372 57.552 56.048 0.220 0.000 1.350 212 H CB -0.244 29.528 29.762 0.016 0.000 1.403 212 H HN 0.405 nan 8.280 nan 0.000 0.533 213 I N 0.763 121.592 120.570 0.431 0.000 2.286 213 I HA -0.234 3.956 4.170 0.033 0.000 0.248 213 I C 1.944 178.237 176.117 0.294 0.000 1.115 213 I CA 1.067 62.617 61.300 0.418 0.000 1.392 213 I CB -0.077 38.084 38.000 0.268 0.000 1.065 213 I HN 0.112 nan 8.210 nan 0.000 0.418 214 L N -0.803 120.548 121.223 0.213 0.000 2.591 214 L HA 0.099 4.459 4.340 0.033 0.000 0.228 214 L C 0.805 177.720 176.870 0.073 0.000 1.133 214 L CA 0.068 55.009 54.840 0.168 0.000 0.880 214 L CB -0.010 42.130 42.059 0.136 0.000 1.033 214 L HN 0.037 nan 8.230 nan 0.000 0.450 215 S N -0.235 115.477 115.700 0.021 0.000 2.640 215 S HA 0.225 4.715 4.470 0.033 0.000 0.320 215 S C 0.619 175.145 174.600 -0.125 0.000 1.097 215 S CA -0.628 57.466 58.200 -0.176 0.000 1.092 215 S CB 1.396 64.230 63.200 -0.610 0.000 0.988 215 S HN 0.153 nan 8.310 nan 0.000 0.470 216 L N 7.621 128.779 121.223 -0.109 0.000 2.021 216 L HA 0.021 4.381 4.340 0.033 0.000 0.215 216 L C -1.084 175.741 176.870 -0.075 0.000 1.074 216 L CA 2.376 57.170 54.840 -0.077 0.000 0.760 216 L CB -1.099 40.916 42.059 -0.072 0.000 0.889 216 L HN 0.492 nan 8.230 nan 0.000 0.433 217 P HA -0.112 nan 4.420 nan 0.000 0.218 217 P C 1.782 179.078 177.300 -0.007 0.000 1.148 217 P CA 1.585 64.648 63.100 -0.062 0.000 0.822 217 P CB -0.030 31.619 31.700 -0.084 0.000 0.784 218 S N -1.013 114.702 115.700 0.025 0.000 2.447 218 S HA -0.057 4.433 4.470 0.033 0.000 0.233 218 S C 1.839 176.562 174.600 0.205 0.000 1.006 218 S CA 0.680 59.000 58.200 0.201 0.000 0.957 218 S CB -0.443 63.012 63.200 0.425 0.000 0.773 218 S HN 0.088 nan 8.310 nan 0.000 0.507 219 R N 1.741 122.259 120.500 0.031 0.000 2.115 219 R HA 0.016 4.376 4.340 0.033 0.000 0.230 219 R C 2.154 178.261 176.300 -0.322 0.000 1.111 219 R CA 1.233 57.210 56.100 -0.206 0.000 0.976 219 R CB -1.060 29.148 30.300 -0.154 0.000 0.870 219 R HN 0.547 nan 8.270 nan 0.000 0.445 220 S N -0.106 115.494 115.700 -0.166 0.000 2.710 220 S HA 0.134 4.624 4.470 0.033 0.000 0.224 220 S C 1.418 175.935 174.600 -0.138 0.000 0.948 220 S CA -0.057 58.039 58.200 -0.173 0.000 0.949 220 S CB -0.213 62.932 63.200 -0.092 0.000 0.778 220 S HN 0.203 nan 8.310 nan 0.000 0.498 221 L N 0.259 121.437 121.223 -0.075 0.000 2.766 221 L HA 0.515 4.875 4.340 0.033 0.000 0.242 221 L C -0.018 176.940 176.870 0.147 0.000 1.136 221 L CA -0.384 54.491 54.840 0.059 0.000 0.933 221 L CB 0.074 42.214 42.059 0.135 0.000 1.241 221 L HN 0.546 nan 8.230 nan 0.000 0.522 222 F N -3.959 115.851 119.950 -0.234 0.000 2.779 222 F HA 0.469 5.016 4.527 0.033 0.000 0.316 222 F C 0.340 175.869 175.800 -0.451 0.000 1.164 222 F CA -0.976 56.893 58.000 -0.218 0.000 0.924 222 F CB 0.841 39.820 39.000 -0.036 0.000 1.348 222 F HN -0.147 nan 8.300 nan 0.000 0.467 223 H N -0.865 118.257 119.070 0.086 0.000 3.266 223 H HA 0.440 5.016 4.556 0.033 0.000 0.246 223 H C -0.160 175.196 175.328 0.046 0.000 0.998 223 H CA -0.128 55.890 56.048 -0.050 0.000 1.152 223 H CB 1.131 30.873 29.762 -0.035 0.000 1.466 223 H HN 0.391 nan 8.280 nan 0.000 0.481 224 R N 0.383 121.090 120.500 0.344 0.000 2.836 224 R HA 0.728 5.088 4.340 0.033 0.000 0.269 224 R C -1.379 175.187 176.300 0.444 0.000 1.010 224 R CA -0.656 55.611 56.100 0.278 0.000 0.930 224 R CB 2.903 33.174 30.300 -0.048 0.000 1.218 224 R HN 0.133 nan 8.270 nan 0.000 0.473 225 A N 1.019 124.104 122.820 0.442 0.000 2.515 225 A HA 0.718 5.058 4.320 0.033 0.000 0.298 225 A C -1.472 176.286 177.584 0.291 0.000 1.059 225 A CA -0.616 51.621 52.037 0.335 0.000 0.698 225 A CB 1.962 21.130 19.000 0.280 0.000 1.289 225 A HN 0.318 nan 8.150 nan 0.000 0.404 226 V N 2.142 122.189 119.914 0.222 0.000 2.482 226 V HA 0.434 4.574 4.120 0.033 0.000 0.295 226 V C -1.286 174.920 176.094 0.187 0.000 1.026 226 V CA -0.250 62.132 62.300 0.137 0.000 0.856 226 V CB 1.279 33.200 31.823 0.164 0.000 1.001 226 V HN 0.691 nan 8.190 nan 0.000 0.424 227 L N 5.238 126.539 121.223 0.129 0.000 2.294 227 L HA 0.546 4.906 4.340 0.033 0.000 0.283 227 L C 0.081 177.069 176.870 0.196 0.000 1.015 227 L CA 0.066 54.979 54.840 0.122 0.000 0.831 227 L CB 1.442 43.530 42.059 0.048 0.000 1.217 227 L HN 0.622 nan 8.230 nan 0.000 0.420 228 Q N 1.979 121.942 119.800 0.271 0.000 2.347 228 Q HA 0.433 4.793 4.340 0.033 0.000 0.262 228 Q C 0.270 176.416 176.000 0.244 0.000 0.980 228 Q CA -0.547 55.479 55.803 0.371 0.000 0.867 228 Q CB 1.403 30.457 28.738 0.527 0.000 1.242 228 Q HN 0.615 nan 8.270 nan 0.000 0.453 229 S N 0.952 116.778 115.700 0.209 0.000 3.581 229 S HA -0.175 4.316 4.470 0.033 0.000 0.354 229 S C -0.000 174.785 174.600 0.309 0.000 1.059 229 S CA 0.653 58.991 58.200 0.230 0.000 1.060 229 S CB -1.043 62.286 63.200 0.216 0.000 0.908 229 S HN 0.972 nan 8.310 nan 0.000 0.475 230 G N -0.513 108.435 108.800 0.245 0.000 2.579 230 G HA2 0.652 4.632 3.960 0.033 0.000 0.292 230 G HA3 0.652 4.632 3.960 0.033 0.000 0.292 230 G C -0.953 174.037 174.900 0.150 0.000 1.484 230 G CA 0.206 45.507 45.100 0.335 0.000 0.813 230 G HN 0.853 nan 8.290 nan 0.000 0.515 231 T N -1.176 113.416 114.554 0.062 0.000 2.889 231 T HA 0.715 5.085 4.350 0.033 0.000 0.315 231 T C -2.368 172.212 174.700 -0.199 0.000 1.291 231 T CA -1.336 60.717 62.100 -0.078 0.000 1.028 231 T CB 3.029 71.829 68.868 -0.113 0.000 1.235 231 T HN 0.283 nan 8.240 nan 0.000 0.491 232 P HA -0.020 nan 4.420 nan 0.000 0.218 232 P C 0.344 177.496 177.300 -0.247 0.000 1.152 232 P CA 0.673 63.663 63.100 -0.184 0.000 0.826 232 P CB -0.085 31.559 31.700 -0.093 0.000 0.790 233 N N 0.845 119.421 118.700 -0.206 0.000 2.317 233 N HA 0.271 5.031 4.740 0.033 0.000 0.245 233 N C 0.760 176.075 175.510 -0.325 0.000 1.294 233 N CA 0.772 53.695 53.050 -0.212 0.000 0.924 233 N CB 0.150 38.554 38.487 -0.138 0.000 1.186 233 N HN 0.232 nan 8.380 nan 0.000 0.495 234 G N -0.988 107.632 108.800 -0.300 0.000 2.408 234 G HA2 -0.083 3.897 3.960 0.033 0.000 0.682 234 G HA3 -0.083 3.897 3.960 0.033 0.000 0.682 234 G C -2.358 172.312 174.900 -0.384 0.000 1.303 234 G CA -0.220 44.653 45.100 -0.379 0.000 0.966 234 G HN 0.533 nan 8.290 nan 0.000 0.560 235 P HA 0.140 nan 4.420 nan 0.000 0.240 235 P C 1.365 178.595 177.300 -0.117 0.000 1.190 235 P CA 1.784 64.751 63.100 -0.223 0.000 0.781 235 P CB -0.019 31.521 31.700 -0.266 0.000 0.931 236 W N -1.458 119.744 121.300 -0.164 0.000 2.873 236 W HA 0.535 5.214 4.660 0.033 0.000 0.282 236 W C 1.167 177.749 176.519 0.104 0.000 1.118 236 W CA 0.469 57.785 57.345 -0.049 0.000 1.480 236 W CB -0.815 28.624 29.460 -0.034 0.000 0.954 236 W HN -0.175 nan 8.180 nan 0.000 0.591 237 A N 1.986 124.412 122.820 -0.658 0.000 2.066 237 A HA 0.094 4.434 4.320 0.033 0.000 0.218 237 A C 1.210 178.623 177.584 -0.286 0.000 1.157 237 A CA 1.909 53.638 52.037 -0.514 0.000 0.670 237 A CB -0.864 17.607 19.000 -0.882 0.000 0.804 237 A HN 0.278 nan 8.150 nan 0.000 0.453 238 T N -3.505 110.905 114.554 -0.240 0.000 2.865 238 T HA 0.647 5.017 4.350 0.033 0.000 0.294 238 T C -0.527 174.098 174.700 -0.125 0.000 1.119 238 T CA -0.113 61.869 62.100 -0.196 0.000 1.007 238 T CB 1.491 70.254 68.868 -0.176 0.000 1.225 238 T HN 0.828 nan 8.240 nan 0.000 0.515 239 V N -1.457 118.392 119.914 -0.107 0.000 3.160 239 V HA 0.923 5.063 4.120 0.033 0.000 0.310 239 V C 0.165 176.220 176.094 -0.064 0.000 1.181 239 V CA -0.918 61.335 62.300 -0.079 0.000 1.047 239 V CB 1.258 33.034 31.823 -0.078 0.000 1.068 239 V HN 1.362 nan 8.190 nan 0.000 0.441 240 S N 0.585 116.254 115.700 -0.052 0.000 2.669 240 S HA 0.716 5.206 4.470 0.033 0.000 0.270 240 S C 1.290 175.872 174.600 -0.030 0.000 1.225 240 S CA 0.013 58.190 58.200 -0.039 0.000 0.991 240 S CB 1.368 64.546 63.200 -0.036 0.000 0.987 240 S HN 1.874 nan 8.310 nan 0.000 0.552 241 A N 1.406 124.215 122.820 -0.019 0.000 1.908 241 A HA 0.109 4.449 4.320 0.033 0.000 0.218 241 A C 2.181 179.756 177.584 -0.015 0.000 1.181 241 A CA 1.821 53.852 52.037 -0.011 0.000 0.627 241 A CB -1.870 17.128 19.000 -0.004 0.000 0.818 241 A HN 1.157 nan 8.150 nan 0.000 0.445 242 G N -0.538 108.250 108.800 -0.020 0.000 2.440 242 G HA2 -0.253 3.727 3.960 0.033 0.000 0.218 242 G HA3 -0.253 3.727 3.960 0.033 0.000 0.218 242 G C 1.483 176.364 174.900 -0.031 0.000 1.154 242 G CA 1.404 46.491 45.100 -0.023 0.000 0.767 242 G HN 0.576 nan 8.290 nan 0.000 0.552 243 E N 0.774 120.950 120.200 -0.039 0.000 2.216 243 E HA 0.192 4.562 4.350 0.033 0.000 0.192 243 E C 2.577 179.137 176.600 -0.067 0.000 0.988 243 E CA 1.178 57.545 56.400 -0.055 0.000 0.834 243 E CB -0.410 29.253 29.700 -0.062 0.000 0.772 243 E HN 0.274 nan 8.360 nan 0.000 0.479 244 A N 0.873 123.664 122.820 -0.049 0.000 1.873 244 A HA -0.134 4.206 4.320 0.033 0.000 0.215 244 A C 2.276 179.856 177.584 -0.007 0.000 1.186 244 A CA 1.610 53.628 52.037 -0.032 0.000 0.616 244 A CB -0.613 18.390 19.000 0.006 0.000 0.823 244 A HN 0.261 nan 8.150 nan 0.000 0.442 245 R N -0.718 119.777 120.500 -0.008 0.000 2.112 245 R HA -0.201 4.159 4.340 0.033 0.000 0.242 245 R C 2.499 178.793 176.300 -0.010 0.000 1.137 245 R CA 1.865 57.961 56.100 -0.006 0.000 0.944 245 R CB -0.329 29.964 30.300 -0.011 0.000 0.857 245 R HN 0.415 nan 8.270 nan 0.000 0.435 246 R N 0.629 121.114 120.500 -0.025 0.000 2.094 246 R HA -0.172 4.188 4.340 0.033 0.000 0.239 246 R C 2.280 178.562 176.300 -0.031 0.000 1.137 246 R CA 2.232 58.313 56.100 -0.031 0.000 0.943 246 R CB -0.307 29.967 30.300 -0.043 0.000 0.850 246 R HN 0.368 nan 8.270 nan 0.000 0.433 247 R N -0.345 120.119 120.500 -0.061 0.000 2.073 247 R HA -0.077 4.283 4.340 0.033 0.000 0.234 247 R C 2.391 178.737 176.300 0.076 0.000 1.134 247 R CA 1.368 57.418 56.100 -0.084 0.000 0.952 247 R CB -0.475 29.633 30.300 -0.319 0.000 0.850 247 R HN 0.244 nan 8.270 nan 0.000 0.433 248 A N 0.799 123.698 122.820 0.132 0.000 1.865 248 A HA -0.188 4.152 4.320 0.033 0.000 0.217 248 A C 2.247 179.866 177.584 0.058 0.000 1.191 248 A CA 2.157 54.288 52.037 0.158 0.000 0.623 248 A CB -1.039 18.002 19.000 0.068 0.000 0.826 248 A HN 0.298 nan 8.150 nan 0.000 0.444 249 T N -0.130 114.438 114.554 0.023 0.000 2.788 249 T HA -0.123 4.248 4.350 0.033 0.000 0.268 249 T C 1.814 176.519 174.700 0.008 0.000 1.044 249 T CA 1.499 63.601 62.100 0.004 0.000 1.139 249 T CB -0.323 68.541 68.868 -0.006 0.000 0.867 249 T HN 0.309 nan 8.240 nan 0.000 0.454 250 L N 0.769 122.001 121.223 0.016 0.000 2.056 250 L HA 0.133 4.494 4.340 0.033 0.000 0.207 250 L C 2.141 179.029 176.870 0.030 0.000 1.078 250 L CA 1.345 56.193 54.840 0.013 0.000 0.749 250 L CB -0.712 41.349 42.059 0.004 0.000 0.901 250 L HN 0.178 nan 8.230 nan 0.000 0.433 251 L N -0.330 120.941 121.223 0.081 0.000 2.017 251 L HA -0.132 4.228 4.340 0.033 0.000 0.208 251 L C 2.564 179.443 176.870 0.016 0.000 1.073 251 L CA 1.973 56.867 54.840 0.089 0.000 0.745 251 L CB -0.810 41.358 42.059 0.182 0.000 0.894 251 L HN 0.289 nan 8.230 nan 0.000 0.432 252 A N -0.264 122.560 122.820 0.006 0.000 1.903 252 A HA -0.328 4.012 4.320 0.033 0.000 0.219 252 A C 2.539 180.111 177.584 -0.020 0.000 1.191 252 A CA 2.258 54.289 52.037 -0.010 0.000 0.638 252 A CB -0.844 18.147 19.000 -0.014 0.000 0.823 252 A HN 0.535 nan 8.150 nan 0.000 0.451 253 R N -0.498 119.989 120.500 -0.022 0.000 2.091 253 R HA -0.078 4.282 4.340 0.033 0.000 0.238 253 R C 1.970 178.232 176.300 -0.063 0.000 1.136 253 R CA 1.641 57.723 56.100 -0.031 0.000 0.959 253 R CB -0.395 29.890 30.300 -0.024 0.000 0.856 253 R HN 0.551 nan 8.270 nan 0.000 0.437 254 L N 0.746 121.910 121.223 -0.099 0.000 2.275 254 L HA -0.077 4.283 4.340 0.033 0.000 0.215 254 L C 1.763 178.438 176.870 -0.326 0.000 1.119 254 L CA 0.593 55.295 54.840 -0.230 0.000 0.790 254 L CB 0.160 42.050 42.059 -0.282 0.000 0.919 254 L HN 0.154 nan 8.230 nan 0.000 0.443 255 V N -3.994 115.820 119.914 -0.167 0.000 3.271 255 V HA 0.537 4.678 4.120 0.033 0.000 0.327 255 V C 1.119 177.202 176.094 -0.020 0.000 1.389 255 V CA 0.206 62.462 62.300 -0.074 0.000 1.156 255 V CB -0.263 31.567 31.823 0.012 0.000 1.103 255 V HN 0.401 nan 8.190 nan 0.000 0.453 256 G N -0.287 108.495 108.800 -0.031 0.000 2.141 256 G HA2 -0.235 3.745 3.960 0.033 0.000 0.242 256 G HA3 -0.235 3.745 3.960 0.033 0.000 0.242 256 G C 0.066 174.966 174.900 -0.001 0.000 0.982 256 G CA -0.019 45.076 45.100 -0.008 0.000 0.662 256 G HN 0.739 nan 8.290 nan 0.000 0.527 257 c N 1.912 120.510 118.600 -0.003 0.000 2.351 257 c HA 0.773 5.363 4.570 0.033 0.000 0.326 257 c C -1.505 172.584 174.090 -0.002 0.000 1.272 257 c CA -1.435 54.896 56.329 0.004 0.000 1.650 257 c CB 1.701 44.218 42.510 0.012 0.000 2.257 257 c HN 0.418 nan 8.230 nan 0.000 0.505 258 P HA 0.515 nan 4.420 nan 0.000 0.283 258 P C -2.481 174.822 177.300 0.004 0.000 1.278 258 P CA -1.223 61.880 63.100 0.005 0.000 0.834 258 P CB -0.315 31.388 31.700 0.005 0.000 1.150 263 G N 0.610 109.415 108.800 0.008 0.000 3.645 263 G HA2 0.738 4.718 3.960 0.033 0.000 0.122 263 G HA3 0.738 4.718 3.960 0.033 0.000 0.122 263 G C 0.512 175.418 174.900 0.010 0.000 1.252 263 G CA 0.947 46.053 45.100 0.010 0.000 1.225 263 G HN 2.273 nan 8.290 nan 0.000 0.541 264 G N -1.114 107.691 108.800 0.009 0.000 2.559 264 G HA2 0.405 4.385 3.960 0.033 0.000 0.291 264 G HA3 0.405 4.385 3.960 0.033 0.000 0.291 264 G C -0.223 174.681 174.900 0.006 0.000 1.424 264 G CA 0.480 45.585 45.100 0.008 0.000 0.786 264 G HN 0.747 nan 8.290 nan 0.000 0.485 265 N N -0.847 117.856 118.700 0.005 0.000 2.654 265 N HA -0.194 4.566 4.740 0.033 0.000 0.248 265 N C 0.272 175.782 175.510 0.000 0.000 1.116 265 N CA 1.922 54.974 53.050 0.002 0.000 0.730 265 N CB -0.064 38.423 38.487 0.000 0.000 1.040 265 N HN 0.649 nan 8.380 nan 0.000 0.548 266 D N -3.103 117.299 120.400 0.003 0.000 2.900 266 D HA 0.175 4.835 4.640 0.033 0.000 0.175 266 D C 1.418 177.723 176.300 0.008 0.000 1.476 266 D CA 1.031 55.031 54.000 0.001 0.000 1.488 266 D CB -0.507 40.294 40.800 0.002 0.000 1.426 266 D HN 0.033 nan 8.370 nan 0.000 0.295 267 T N 1.086 115.649 114.554 0.015 0.000 2.624 267 T HA -0.191 4.179 4.350 0.033 0.000 0.268 267 T C 1.570 176.285 174.700 0.025 0.000 1.041 267 T CA 1.687 63.801 62.100 0.024 0.000 1.159 267 T CB -0.330 68.551 68.868 0.022 0.000 0.863 267 T HN 0.175 nan 8.240 nan 0.000 0.434 268 E N 0.254 120.466 120.200 0.019 0.000 2.048 268 E HA -0.187 4.183 4.350 0.033 0.000 0.202 268 E C 2.215 178.828 176.600 0.021 0.000 1.021 268 E CA 1.412 57.823 56.400 0.018 0.000 0.825 268 E CB -0.339 29.369 29.700 0.012 0.000 0.756 268 E HN 0.368 nan 8.360 nan 0.000 0.454 269 L N 0.584 121.815 121.223 0.013 0.000 2.017 269 L HA -0.186 4.174 4.340 0.033 0.000 0.208 269 L C 2.288 179.170 176.870 0.020 0.000 1.073 269 L CA 1.141 55.986 54.840 0.008 0.000 0.745 269 L CB -0.091 41.963 42.059 -0.008 0.000 0.894 269 L HN 0.150 nan 8.230 nan 0.000 0.432 270 I N -0.291 120.293 120.570 0.025 0.000 2.252 270 I HA -0.258 3.932 4.170 0.033 0.000 0.245 270 I C 2.750 178.941 176.117 0.123 0.000 1.102 270 I CA 1.009 62.351 61.300 0.070 0.000 1.385 270 I CB -0.631 37.410 38.000 0.068 0.000 1.064 270 I HN 0.313 nan 8.210 nan 0.000 0.414 271 A N 0.029 122.897 122.820 0.080 0.000 1.884 271 A HA -0.354 3.986 4.320 0.033 0.000 0.219 271 A C 2.561 180.186 177.584 0.069 0.000 1.197 271 A CA 2.330 54.408 52.037 0.069 0.000 0.637 271 A CB -1.555 17.472 19.000 0.045 0.000 0.827 271 A HN 0.628 nan 8.150 nan 0.000 0.450 272 c N -0.641 117.994 118.600 0.058 0.000 2.429 272 c HA -0.015 4.575 4.570 0.033 0.000 0.277 272 c C 2.652 176.785 174.090 0.071 0.000 1.262 272 c CA 1.090 57.450 56.329 0.051 0.000 1.733 272 c CB -1.692 40.840 42.510 0.035 0.000 2.010 272 c HN 0.581 nan 8.230 nan 0.000 0.483 273 L N 0.319 121.604 121.223 0.104 0.000 2.042 273 L HA -0.152 4.208 4.340 0.033 0.000 0.210 273 L C 3.030 180.006 176.870 0.178 0.000 1.076 273 L CA 1.725 56.663 54.840 0.163 0.000 0.749 273 L CB -0.692 41.501 42.059 0.224 0.000 0.893 273 L HN 0.340 nan 8.230 nan 0.000 0.432 274 R N -0.409 120.190 120.500 0.166 0.000 2.127 274 R HA -0.149 4.211 4.340 0.033 0.000 0.238 274 R C 2.201 178.510 176.300 0.015 0.000 1.134 274 R CA 1.831 57.957 56.100 0.043 0.000 0.975 274 R CB -0.553 29.767 30.300 0.032 0.000 0.865 274 R HN 0.523 nan 8.270 nan 0.000 0.447 275 T N -1.230 113.345 114.554 0.035 0.000 3.163 275 T HA 0.025 4.395 4.350 0.033 0.000 0.260 275 T C 0.852 175.565 174.700 0.022 0.000 1.156 275 T CA 0.325 62.438 62.100 0.022 0.000 1.072 275 T CB 0.047 68.930 68.868 0.026 0.000 0.937 275 T HN -0.061 nan 8.240 nan 0.000 0.528 276 R N 2.248 122.767 120.500 0.031 0.000 2.368 276 R HA 0.414 4.774 4.340 0.033 0.000 0.302 276 R C -2.792 173.520 176.300 0.020 0.000 1.002 276 R CA -2.357 53.764 56.100 0.035 0.000 0.929 276 R CB 0.662 30.994 30.300 0.055 0.000 1.073 276 R HN 0.212 nan 8.270 nan 0.000 0.464 277 P HA -0.033 nan 4.420 nan 0.000 0.266 277 P C 0.348 177.629 177.300 -0.031 0.000 1.195 277 P CA 0.247 63.336 63.100 -0.019 0.000 0.768 277 P CB 0.614 32.311 31.700 -0.005 0.000 0.838 278 A N 2.894 125.632 122.820 -0.137 0.000 1.892 278 A HA -0.292 4.048 4.320 0.033 0.000 0.218 278 A C 2.141 179.652 177.584 -0.121 0.000 1.188 278 A CA 2.013 53.941 52.037 -0.182 0.000 0.631 278 A CB -1.274 17.183 19.000 -0.904 0.000 0.822 278 A HN 0.541 nan 8.150 nan 0.000 0.447 279 Q N 0.029 119.730 119.800 -0.165 0.000 2.226 279 Q HA -0.158 4.202 4.340 0.033 0.000 0.204 279 Q C 1.189 177.258 176.000 0.114 0.000 0.975 279 Q CA 1.966 57.809 55.803 0.066 0.000 0.866 279 Q CB -0.442 28.370 28.738 0.123 0.000 0.915 279 Q HN 0.660 nan 8.270 nan 0.000 0.440 280 D N -0.592 119.862 120.400 0.089 0.000 2.144 280 D HA -0.129 4.531 4.640 0.033 0.000 0.199 280 D C 1.685 178.086 176.300 0.168 0.000 0.984 280 D CA 1.043 55.124 54.000 0.136 0.000 0.834 280 D CB -0.104 40.768 40.800 0.119 0.000 0.955 280 D HN 0.307 nan 8.370 nan 0.000 0.465 281 L N -0.043 121.245 121.223 0.108 0.000 2.027 281 L HA -0.103 4.257 4.340 0.033 0.000 0.206 281 L C 2.456 179.386 176.870 0.099 0.000 1.074 281 L CA 0.601 55.468 54.840 0.045 0.000 0.745 281 L CB -0.544 41.417 42.059 -0.163 0.000 0.898 281 L HN -0.053 nan 8.230 nan 0.000 0.433 282 V N 0.007 120.034 119.914 0.188 0.000 2.490 282 V HA -0.277 3.863 4.120 0.033 0.000 0.250 282 V C 2.041 178.290 176.094 0.259 0.000 1.061 282 V CA 1.722 64.203 62.300 0.302 0.000 1.064 282 V CB -0.543 31.568 31.823 0.479 0.000 0.670 282 V HN 0.418 nan 8.190 nan 0.000 0.461 283 D N -1.018 119.477 120.400 0.159 0.000 2.221 283 D HA -0.134 4.526 4.640 0.033 0.000 0.204 283 D C 1.754 177.923 176.300 -0.219 0.000 0.982 283 D CA 1.286 55.286 54.000 -0.000 0.000 0.857 283 D CB -0.133 40.599 40.800 -0.113 0.000 0.934 283 D HN 0.525 nan 8.370 nan 0.000 0.475 284 H N -0.675 118.418 119.070 0.039 0.000 2.784 284 H HA 0.100 4.676 4.556 0.033 0.000 0.273 284 H C 1.412 176.712 175.328 -0.047 0.000 1.112 284 H CA 0.156 56.169 56.048 -0.058 0.000 1.162 284 H CB 0.647 30.465 29.762 0.094 0.000 1.586 284 H HN 0.419 nan 8.280 nan 0.000 0.548 285 E N 0.008 120.281 120.200 0.123 0.000 2.150 285 E HA -0.180 4.190 4.350 0.033 0.000 0.193 285 E C 1.325 178.036 176.600 0.186 0.000 0.985 285 E CA 0.601 57.150 56.400 0.249 0.000 0.814 285 E CB -0.257 29.624 29.700 0.301 0.000 0.752 285 E HN 0.283 nan 8.360 nan 0.000 0.466 286 W N 1.769 122.956 121.300 -0.187 0.000 3.433 286 W HA 0.208 4.888 4.660 0.033 0.000 0.376 286 W C -0.004 176.500 176.519 -0.025 0.000 1.160 286 W CA 0.015 57.254 57.345 -0.178 0.000 1.832 286 W CB -0.250 29.036 29.460 -0.290 0.000 1.011 286 W HN 0.154 nan 8.180 nan 0.000 0.766 287 H N -1.126 117.913 119.070 -0.053 0.000 3.058 287 H HA 0.059 4.635 4.556 0.033 0.000 0.266 287 H C 1.805 177.059 175.328 -0.123 0.000 1.135 287 H CA 0.506 56.454 56.048 -0.167 0.000 1.174 287 H CB 0.395 30.159 29.762 0.003 0.000 1.581 287 H HN 0.123 nan 8.280 nan 0.000 0.553 288 V N -1.295 118.621 119.914 0.003 0.000 3.647 288 V HA 0.231 4.371 4.120 0.033 0.000 0.279 288 V C 0.545 176.567 176.094 -0.119 0.000 1.314 288 V CA -0.089 62.184 62.300 -0.044 0.000 1.125 288 V CB -0.285 31.514 31.823 -0.041 0.000 0.907 288 V HN 0.142 nan 8.190 nan 0.000 0.434 289 L N 2.274 123.409 121.223 -0.146 0.000 2.426 289 L HA 0.282 4.642 4.340 0.033 0.000 0.271 289 L C -0.431 176.362 176.870 -0.129 0.000 1.169 289 L CA -1.046 53.709 54.840 -0.143 0.000 0.836 289 L CB 1.098 43.071 42.059 -0.143 0.000 1.112 289 L HN 0.153 nan 8.230 nan 0.000 0.465 290 P HA -0.024 nan 4.420 nan 0.000 0.227 290 P C -0.303 176.951 177.300 -0.076 0.000 1.161 290 P CA 0.827 63.877 63.100 -0.083 0.000 0.788 290 P CB 0.596 32.254 31.700 -0.069 0.000 0.822 291 Q N -1.042 118.713 119.800 -0.075 0.000 2.501 291 Q HA 0.321 4.681 4.340 0.033 0.000 0.288 291 Q C -0.774 175.189 176.000 -0.062 0.000 1.051 291 Q CA -0.738 55.029 55.803 -0.061 0.000 0.788 291 Q CB 1.575 30.291 28.738 -0.038 0.000 1.469 291 Q HN -0.072 nan 8.270 nan 0.000 0.416 292 E N 1.004 121.179 120.200 -0.043 0.000 2.493 292 E HA 0.214 4.584 4.350 0.033 0.000 0.255 292 E C -0.922 175.688 176.600 0.017 0.000 0.999 292 E CA 0.217 56.615 56.400 -0.003 0.000 0.934 292 E CB 0.269 29.979 29.700 0.017 0.000 0.940 292 E HN 0.575 nan 8.360 nan 0.000 0.473 293 S N 3.834 119.559 115.700 0.042 0.000 2.688 293 S HA 0.713 5.203 4.470 0.033 0.000 0.275 293 S C -0.478 174.155 174.600 0.055 0.000 1.175 293 S CA -1.048 57.171 58.200 0.031 0.000 0.818 293 S CB 0.859 64.056 63.200 -0.006 0.000 1.157 293 S HN 0.496 nan 8.310 nan 0.000 0.482 294 I N -2.959 117.624 120.570 0.022 0.000 2.934 294 I HA 0.711 4.901 4.170 0.033 0.000 0.306 294 I C -0.547 175.526 176.117 -0.073 0.000 1.110 294 I CA -1.223 60.087 61.300 0.017 0.000 1.019 294 I CB 1.225 39.268 38.000 0.071 0.000 1.227 294 I HN 0.721 nan 8.210 nan 0.000 0.434 295 F N 1.939 121.648 119.950 -0.402 0.000 3.067 295 F HA -0.198 4.349 4.527 0.033 0.000 0.279 295 F C -0.196 175.080 175.800 -0.873 0.000 0.945 295 F CA 0.677 58.178 58.000 -0.832 0.000 0.948 295 F CB -0.616 37.807 39.000 -0.962 0.000 0.898 295 F HN 0.545 nan 8.300 nan 0.000 0.746 296 R N 0.454 120.560 120.500 -0.656 0.000 2.628 296 R HA 0.629 4.989 4.340 0.033 0.000 0.288 296 R C -0.965 174.949 176.300 -0.643 0.000 0.980 296 R CA -0.625 55.142 56.100 -0.555 0.000 0.891 296 R CB 1.341 31.534 30.300 -0.180 0.000 1.188 296 R HN -0.003 nan 8.270 nan 0.000 0.450 297 F N -0.580 119.467 119.950 0.162 0.000 2.532 297 F HA 0.351 4.898 4.527 0.033 0.000 0.321 297 F C 1.571 177.415 175.800 0.073 0.000 1.089 297 F CA -0.842 57.242 58.000 0.141 0.000 0.926 297 F CB 1.825 40.990 39.000 0.275 0.000 1.168 297 F HN 0.369 nan 8.300 nan 0.000 0.459 298 S N 0.985 116.809 115.700 0.207 0.000 2.356 298 S HA -0.064 4.426 4.470 0.033 0.000 0.223 298 S C 0.024 174.413 174.600 -0.352 0.000 1.032 298 S CA 1.329 59.477 58.200 -0.087 0.000 1.005 298 S CB -0.235 62.975 63.200 0.018 0.000 0.867 298 S HN 0.372 nan 8.310 nan 0.000 0.449 299 F N 1.120 121.203 119.950 0.221 0.000 2.500 299 F HA 0.527 5.074 4.527 0.033 0.000 0.349 299 F C -0.118 175.764 175.800 0.138 0.000 1.127 299 F CA -0.916 57.202 58.000 0.197 0.000 0.998 299 F CB 1.510 40.654 39.000 0.241 0.000 1.237 299 F HN -0.103 nan 8.300 nan 0.000 0.439 300 V N 1.052 120.991 119.914 0.042 0.000 3.141 300 V HA 0.774 4.914 4.120 0.033 0.000 0.312 300 V C -2.911 172.865 176.094 -0.529 0.000 1.157 300 V CA -3.296 58.738 62.300 -0.443 0.000 1.041 300 V CB 2.097 33.827 31.823 -0.156 0.000 1.071 300 V HN 0.265 nan 8.190 nan 0.000 0.441 301 P HA 0.171 nan 4.420 nan 0.000 0.265 301 P C -0.744 176.424 177.300 -0.220 0.000 1.187 301 P CA 0.400 63.223 63.100 -0.461 0.000 0.766 301 P CB 0.657 31.991 31.700 -0.610 0.000 0.820 302 V N 4.770 124.633 119.914 -0.085 0.000 2.513 302 V HA 0.230 4.370 4.120 0.033 0.000 0.299 302 V C -0.372 175.705 176.094 -0.028 0.000 1.035 302 V CA -0.896 61.377 62.300 -0.045 0.000 0.889 302 V CB 2.021 33.848 31.823 0.006 0.000 0.988 302 V HN 0.136 nan 8.190 nan 0.000 0.440 303 V N 7.414 127.311 119.914 -0.029 0.000 2.390 303 V HA 0.173 4.313 4.120 0.033 0.000 0.260 303 V C 0.762 176.863 176.094 0.012 0.000 1.043 303 V CA 0.434 62.730 62.300 -0.006 0.000 1.047 303 V CB 0.246 32.057 31.823 -0.020 0.000 1.066 303 V HN 1.064 nan 8.190 nan 0.000 0.481 304 D N 2.789 123.212 120.400 0.038 0.000 2.407 304 D HA 0.139 4.799 4.640 0.033 0.000 0.208 304 D C 1.563 177.888 176.300 0.042 0.000 1.083 304 D CA 0.611 54.637 54.000 0.044 0.000 0.844 304 D CB 0.434 41.274 40.800 0.067 0.000 0.967 304 D HN 0.672 nan 8.370 nan 0.000 0.506 305 G N 0.753 109.577 108.800 0.041 0.000 2.196 305 G HA2 -0.358 3.622 3.960 0.033 0.000 0.268 305 G HA3 -0.358 3.622 3.960 0.033 0.000 0.268 305 G C 0.533 175.456 174.900 0.039 0.000 0.975 305 G CA 0.945 46.064 45.100 0.032 0.000 0.648 305 G HN 0.538 nan 8.290 nan 0.000 0.538 306 D N -1.252 119.189 120.400 0.067 0.000 2.949 306 D HA 0.224 4.884 4.640 0.033 0.000 0.247 306 D C 1.881 178.235 176.300 0.089 0.000 1.552 306 D CA 0.356 54.401 54.000 0.074 0.000 1.231 306 D CB -0.525 40.332 40.800 0.095 0.000 0.990 306 D HN 0.096 nan 8.370 nan 0.000 0.270 307 F N 1.106 121.066 119.950 0.016 0.000 2.065 307 F HA 0.055 4.602 4.527 0.033 0.000 0.298 307 F C 0.645 176.446 175.800 0.003 0.000 1.112 307 F CA 1.295 59.304 58.000 0.015 0.000 1.212 307 F CB 0.035 39.042 39.000 0.012 0.000 0.975 307 F HN -0.014 nan 8.300 nan 0.000 0.476 308 L N 0.693 122.080 121.223 0.274 0.000 2.276 308 L HA 0.203 4.563 4.340 0.033 0.000 0.286 308 L C 1.379 178.290 176.870 0.068 0.000 1.024 308 L CA -0.096 54.834 54.840 0.151 0.000 0.826 308 L CB 1.372 43.516 42.059 0.142 0.000 1.211 308 L HN 0.081 nan 8.230 nan 0.000 0.422 309 S N 0.650 116.368 115.700 0.029 0.000 2.481 309 S HA -0.021 4.469 4.470 0.033 0.000 0.231 309 S C 0.460 175.067 174.600 0.012 0.000 0.996 309 S CA 0.613 58.821 58.200 0.013 0.000 0.942 309 S CB 0.119 63.315 63.200 -0.006 0.000 0.768 309 S HN 0.757 nan 8.310 nan 0.000 0.520 310 D N -0.135 120.274 120.400 0.015 0.000 2.838 310 D HA 0.261 4.921 4.640 0.033 0.000 0.334 310 D C -0.942 175.361 176.300 0.005 0.000 1.315 310 D CA 0.157 54.161 54.000 0.007 0.000 0.917 310 D CB 1.232 42.033 40.800 0.002 0.000 1.435 310 D HN 0.245 nan 8.370 nan 0.000 0.517 311 T N -0.796 113.754 114.554 -0.006 0.000 2.926 311 T HA 0.270 4.640 4.350 0.033 0.000 0.307 311 T C -1.833 172.860 174.700 -0.012 0.000 1.059 311 T CA -0.720 61.368 62.100 -0.019 0.000 1.122 311 T CB 1.185 70.035 68.868 -0.030 0.000 0.972 311 T HN 0.074 nan 8.240 nan 0.000 0.545 312 P HA -0.142 nan 4.420 nan 0.000 0.216 312 P C 1.571 178.866 177.300 -0.010 0.000 1.150 312 P CA 0.918 64.007 63.100 -0.018 0.000 0.843 312 P CB 0.055 31.716 31.700 -0.065 0.000 0.787 313 E N -0.002 120.180 120.200 -0.031 0.000 2.085 313 E HA -0.215 4.155 4.350 0.033 0.000 0.194 313 E C 1.828 178.431 176.600 0.005 0.000 0.994 313 E CA 1.678 58.065 56.400 -0.021 0.000 0.801 313 E CB -0.483 29.194 29.700 -0.037 0.000 0.743 313 E HN 0.090 nan 8.360 nan 0.000 0.453 314 A N 1.222 124.044 122.820 0.003 0.000 1.929 314 A HA -0.063 4.277 4.320 0.033 0.000 0.216 314 A C 2.390 179.991 177.584 0.029 0.000 1.176 314 A CA 0.809 52.853 52.037 0.011 0.000 0.628 314 A CB -0.546 18.455 19.000 0.001 0.000 0.816 314 A HN 0.297 nan 8.150 nan 0.000 0.444 315 L N 0.046 121.293 121.223 0.040 0.000 2.093 315 L HA -0.152 4.208 4.340 0.033 0.000 0.208 315 L C 2.565 179.523 176.870 0.147 0.000 1.085 315 L CA 1.638 56.519 54.840 0.069 0.000 0.755 315 L CB -0.542 41.562 42.059 0.075 0.000 0.904 315 L HN 0.679 nan 8.230 nan 0.000 0.435 316 I N -3.378 117.287 120.570 0.158 0.000 2.676 316 I HA -0.126 4.064 4.170 0.033 0.000 0.259 316 I C 1.876 178.125 176.117 0.221 0.000 1.194 316 I CA 1.103 62.553 61.300 0.250 0.000 1.473 316 I CB -0.397 37.662 38.000 0.098 0.000 1.096 316 I HN 0.167 nan 8.210 nan 0.000 0.443 317 N N 1.579 120.348 118.700 0.114 0.000 2.270 317 N HA -0.093 4.667 4.740 0.033 0.000 0.181 317 N C 1.776 177.323 175.510 0.062 0.000 1.016 317 N CA 2.125 55.222 53.050 0.080 0.000 0.870 317 N CB -0.231 38.281 38.487 0.042 0.000 0.979 317 N HN 0.657 nan 8.380 nan 0.000 0.431 318 T N -3.832 110.743 114.554 0.035 0.000 3.023 318 T HA 0.304 4.674 4.350 0.033 0.000 0.253 318 T C 1.037 175.669 174.700 -0.112 0.000 1.038 318 T CA -0.323 61.763 62.100 -0.024 0.000 0.962 318 T CB -0.019 68.832 68.868 -0.028 0.000 1.018 318 T HN 0.059 nan 8.240 nan 0.000 0.521 319 G N 1.420 110.109 108.800 -0.185 0.000 2.491 319 G HA2 0.362 4.342 3.960 0.033 0.000 0.242 319 G HA3 0.362 4.342 3.960 0.033 0.000 0.242 319 G C -0.897 173.548 174.900 -0.758 0.000 1.266 319 G CA -0.356 44.364 45.100 -0.635 0.000 0.844 319 G HN 0.311 nan 8.290 nan 0.000 0.571 320 D N 0.673 120.661 120.400 -0.687 0.000 2.317 320 D HA 0.324 4.984 4.640 0.033 0.000 0.234 320 D C -0.415 175.566 176.300 -0.531 0.000 1.112 320 D CA -0.691 53.047 54.000 -0.435 0.000 0.840 320 D CB 0.549 41.212 40.800 -0.227 0.000 1.078 320 D HN 0.097 nan 8.370 nan 0.000 0.486 321 F N 2.231 122.185 119.950 0.006 0.000 2.855 321 F HA 0.252 4.799 4.527 0.034 0.000 0.317 321 F C 1.911 177.718 175.800 0.011 0.000 1.169 321 F CA -0.368 57.639 58.000 0.011 0.000 1.299 321 F CB 0.303 39.318 39.000 0.025 0.000 0.962 321 F HN 0.400 nan 8.300 nan 0.000 0.506 322 Q N -0.091 119.771 119.800 0.104 0.000 2.079 322 Q HA -0.104 4.256 4.340 0.033 0.000 0.200 322 Q C 0.367 176.405 176.000 0.063 0.000 0.974 322 Q CA 1.083 56.929 55.803 0.071 0.000 0.840 322 Q CB 0.133 28.887 28.738 0.027 0.000 0.898 322 Q HN 0.234 nan 8.270 nan 0.000 0.430 323 D N 0.424 120.855 120.400 0.051 0.000 3.072 323 D HA 0.178 4.838 4.640 0.033 0.000 0.250 323 D C -0.990 175.343 176.300 0.055 0.000 1.304 323 D CA 0.091 54.115 54.000 0.039 0.000 0.861 323 D CB 0.149 40.957 40.800 0.014 0.000 1.062 323 D HN 0.015 nan 8.370 nan 0.000 0.481 324 L N 0.778 122.057 121.223 0.092 0.000 2.410 324 L HA 0.354 4.714 4.340 0.033 0.000 0.270 324 L C -1.158 175.785 176.870 0.122 0.000 0.983 324 L CA -0.487 54.420 54.840 0.112 0.000 0.822 324 L CB 2.203 44.361 42.059 0.165 0.000 1.285 324 L HN -0.206 nan 8.230 nan 0.000 0.409 325 Q N 3.243 123.131 119.800 0.146 0.000 2.333 325 Q HA 0.815 5.175 4.340 0.033 0.000 0.267 325 Q C -1.491 174.732 176.000 0.370 0.000 1.012 325 Q CA -0.570 55.371 55.803 0.229 0.000 0.824 325 Q CB 2.796 31.631 28.738 0.161 0.000 1.290 325 Q HN 0.478 nan 8.270 nan 0.000 0.449 326 V N 2.586 122.704 119.914 0.340 0.000 2.686 326 V HA 0.457 4.597 4.120 0.033 0.000 0.306 326 V C -1.447 174.626 176.094 -0.035 0.000 1.065 326 V CA -0.838 61.585 62.300 0.204 0.000 0.894 326 V CB 1.952 33.810 31.823 0.058 0.000 1.004 326 V HN 0.604 nan 8.190 nan 0.000 0.424 327 L N 6.791 127.810 121.223 -0.341 0.000 2.305 327 L HA 0.879 5.239 4.340 0.033 0.000 0.284 327 L C -0.466 176.300 176.870 -0.174 0.000 1.013 327 L CA -0.098 54.431 54.840 -0.518 0.000 0.819 327 L CB 1.600 42.914 42.059 -1.241 0.000 1.227 327 L HN 0.605 nan 8.230 nan 0.000 0.417 328 V N 2.161 122.035 119.914 -0.067 0.000 2.823 328 V HA 1.118 5.258 4.120 0.033 0.000 0.312 328 V C -0.037 175.851 176.094 -0.344 0.000 1.072 328 V CA 0.115 62.358 62.300 -0.094 0.000 0.937 328 V CB 1.037 32.769 31.823 -0.151 0.000 1.013 328 V HN 0.998 nan 8.190 nan 0.000 0.430 329 G N 0.937 109.376 108.800 -0.601 0.000 2.548 329 G HA2 0.802 4.782 3.960 0.033 0.000 0.301 329 G HA3 0.802 4.782 3.960 0.033 0.000 0.301 329 G C -1.199 173.384 174.900 -0.529 0.000 1.349 329 G CA 0.025 44.337 45.100 -1.313 0.000 0.792 329 G HN 2.007 nan 8.290 nan 0.000 0.481 330 V N -2.332 117.402 119.914 -0.300 0.000 3.159 330 V HA 0.911 5.051 4.120 0.033 0.000 0.308 330 V C 0.259 176.557 176.094 0.340 0.000 1.190 330 V CA -0.450 61.905 62.300 0.092 0.000 1.037 330 V CB 1.129 32.982 31.823 0.050 0.000 1.060 330 V HN 1.769 nan 8.190 nan 0.000 0.437 331 V N -0.248 119.878 119.914 0.355 0.000 3.109 331 V HA 0.554 4.694 4.120 0.033 0.000 0.317 331 V C 1.443 177.735 176.094 0.329 0.000 1.074 331 V CA 0.074 62.630 62.300 0.427 0.000 1.033 331 V CB 1.197 33.255 31.823 0.393 0.000 1.111 331 V HN 1.108 nan 8.190 nan 0.000 0.458 332 K N -0.176 120.415 120.400 0.319 0.000 2.147 332 K HA -0.073 4.267 4.320 0.033 0.000 0.205 332 K C 0.386 177.110 176.600 0.206 0.000 1.049 332 K CA 1.867 58.293 56.287 0.232 0.000 0.936 332 K CB 0.079 32.693 32.500 0.190 0.000 0.722 332 K HN 0.905 nan 8.250 nan 0.000 0.446 333 D N 1.003 121.533 120.400 0.217 0.000 2.739 333 D HA 0.028 4.688 4.640 0.033 0.000 0.335 333 D C 0.056 176.488 176.300 0.219 0.000 1.216 333 D CA -0.081 54.035 54.000 0.194 0.000 0.808 333 D CB 1.242 42.135 40.800 0.155 0.000 1.121 333 D HN 0.134 nan 8.370 nan 0.000 0.499 334 E N 0.437 120.782 120.200 0.241 0.000 2.171 334 E HA -0.133 4.237 4.350 0.033 0.000 0.197 334 E C 1.919 178.706 176.600 0.312 0.000 0.997 334 E CA 0.795 57.379 56.400 0.306 0.000 0.810 334 E CB 0.152 30.002 29.700 0.249 0.000 0.738 334 E HN 0.431 nan 8.360 nan 0.000 0.467 335 G N 0.735 109.672 108.800 0.227 0.000 2.744 335 G HA2 -0.128 3.852 3.960 0.033 0.000 0.211 335 G HA3 -0.128 3.852 3.960 0.033 0.000 0.211 335 G C 1.699 176.756 174.900 0.262 0.000 1.146 335 G CA 0.701 45.941 45.100 0.233 0.000 0.787 335 G HN 0.347 nan 8.290 nan 0.000 0.534 336 S N 1.584 117.394 115.700 0.183 0.000 2.370 336 S HA -0.025 4.465 4.470 0.033 0.000 0.226 336 S C 2.605 177.204 174.600 -0.001 0.000 1.033 336 S CA 1.481 59.754 58.200 0.122 0.000 1.011 336 S CB -0.594 62.615 63.200 0.016 0.000 0.852 336 S HN 0.496 nan 8.310 nan 0.000 0.457 337 A N 0.905 123.649 122.820 -0.127 0.000 1.972 337 A HA 0.108 4.448 4.320 0.033 0.000 0.219 337 A C 1.872 179.362 177.584 -0.157 0.000 1.169 337 A CA 1.295 53.123 52.037 -0.348 0.000 0.635 337 A CB -1.039 17.649 19.000 -0.521 0.000 0.810 337 A HN 0.568 nan 8.150 nan 0.000 0.446 338 F N -0.135 119.787 119.950 -0.046 0.000 2.407 338 F HA 0.033 4.580 4.527 0.032 0.000 0.299 338 F C 1.906 177.748 175.800 0.069 0.000 1.097 338 F CA 0.665 58.655 58.000 -0.016 0.000 1.422 338 F CB -0.252 38.668 39.000 -0.134 0.000 1.067 338 F HN 0.104 nan 8.300 nan 0.000 0.539 339 L N -0.206 121.114 121.223 0.161 0.000 2.141 339 L HA -0.134 4.226 4.340 0.033 0.000 0.209 339 L C 2.420 179.376 176.870 0.144 0.000 1.094 339 L CA 0.940 55.757 54.840 -0.038 0.000 0.763 339 L CB -0.877 40.896 42.059 -0.477 0.000 0.908 339 L HN 0.150 nan 8.230 nan 0.000 0.437 340 V N -4.308 115.745 119.914 0.232 0.000 3.305 340 V HA -0.171 3.969 4.120 0.033 0.000 0.269 340 V C 0.792 176.879 176.094 -0.010 0.000 1.157 340 V CA 0.724 63.150 62.300 0.209 0.000 1.157 340 V CB -1.249 30.737 31.823 0.271 0.000 0.772 340 V HN 0.277 nan 8.190 nan 0.000 0.498 341 Y N 2.082 122.431 120.300 0.082 0.000 2.832 341 Y HA 0.669 5.239 4.550 0.033 0.000 0.372 341 Y C 1.490 177.423 175.900 0.054 0.000 1.238 341 Y CA 0.188 58.303 58.100 0.024 0.000 1.713 341 Y CB 0.361 38.809 38.460 -0.021 0.000 1.809 341 Y HN 0.363 nan 8.280 nan 0.000 0.472 342 G N -0.690 108.209 108.800 0.165 0.000 2.201 342 G HA2 -0.235 3.745 3.960 0.033 0.000 0.212 342 G HA3 -0.235 3.745 3.960 0.033 0.000 0.212 342 G C -0.346 174.663 174.900 0.183 0.000 0.994 342 G CA -0.216 44.988 45.100 0.173 0.000 0.644 342 G HN 0.182 nan 8.290 nan 0.000 0.508 343 V N 2.792 122.828 119.914 0.203 0.000 2.372 343 V HA 0.374 4.514 4.120 0.033 0.000 0.261 343 V C -1.526 174.783 176.094 0.358 0.000 1.055 343 V CA -1.430 61.015 62.300 0.242 0.000 0.930 343 V CB 0.731 32.645 31.823 0.152 0.000 1.031 343 V HN 0.143 nan 8.190 nan 0.000 0.479 344 P HA 0.152 nan 4.420 nan 0.000 0.263 344 P C 1.109 178.512 177.300 0.171 0.000 1.175 344 P CA 1.560 64.770 63.100 0.183 0.000 0.761 344 P CB 0.494 32.268 31.700 0.124 0.000 0.794 345 G N 1.122 109.948 108.800 0.045 0.000 2.232 345 G HA2 -0.217 3.764 3.960 0.033 0.000 0.226 345 G HA3 -0.217 3.764 3.960 0.033 0.000 0.226 345 G C -0.142 174.529 174.900 -0.382 0.000 0.996 345 G CA -0.549 44.429 45.100 -0.204 0.000 0.626 345 G HN 0.404 nan 8.290 nan 0.000 0.509 346 F N 1.193 121.173 119.950 0.050 0.000 2.470 346 F HA 0.835 5.382 4.527 0.032 0.000 0.329 346 F C 0.619 176.530 175.800 0.186 0.000 1.072 346 F CA -0.256 57.799 58.000 0.092 0.000 0.989 346 F CB 2.316 41.417 39.000 0.168 0.000 1.193 346 F HN 0.269 nan 8.300 nan 0.000 0.481 347 S N 0.600 116.582 115.700 0.470 0.000 2.558 347 S HA 0.240 4.730 4.470 0.033 0.000 0.277 347 S C 0.045 174.945 174.600 0.499 0.000 1.143 347 S CA -0.823 57.624 58.200 0.413 0.000 0.865 347 S CB 1.216 64.557 63.200 0.236 0.000 1.102 347 S HN 0.767 nan 8.310 nan 0.000 0.454 348 K N 1.337 121.928 120.400 0.319 0.000 2.288 348 K HA 0.105 4.445 4.320 0.033 0.000 0.201 348 K C 0.204 176.817 176.600 0.021 0.000 1.048 348 K CA 1.276 57.639 56.287 0.127 0.000 0.956 348 K CB -0.161 32.181 32.500 -0.263 0.000 0.746 348 K HN 0.440 nan 8.250 nan 0.000 0.461 349 D N 1.044 121.434 120.400 -0.017 0.000 2.340 349 D HA -0.006 4.654 4.640 0.033 0.000 0.220 349 D C -0.272 176.052 176.300 0.041 0.000 1.039 349 D CA 0.375 54.346 54.000 -0.047 0.000 0.866 349 D CB -0.019 40.725 40.800 -0.092 0.000 0.913 349 D HN 0.493 nan 8.370 nan 0.000 0.523 350 N N -1.290 117.483 118.700 0.122 0.000 2.774 350 N HA 0.118 4.878 4.740 0.033 0.000 0.264 350 N C 0.118 175.719 175.510 0.152 0.000 1.415 350 N CA -0.656 52.452 53.050 0.096 0.000 0.815 350 N CB 0.793 39.291 38.487 0.019 0.000 1.514 350 N HN -0.341 nan 8.380 nan 0.000 0.523 351 E N -0.484 119.730 120.200 0.023 0.000 2.516 351 E HA 0.023 4.393 4.350 0.033 0.000 0.199 351 E C -0.499 175.769 176.600 -0.554 0.000 1.069 351 E CA 0.273 56.610 56.400 -0.107 0.000 0.876 351 E CB -0.299 29.366 29.700 -0.057 0.000 0.843 351 E HN 0.566 nan 8.360 nan 0.000 0.530 352 S N 0.294 115.726 115.700 -0.446 0.000 3.614 352 S HA -0.195 4.295 4.470 0.033 0.000 0.360 352 S C 0.195 174.415 174.600 -0.633 0.000 1.023 352 S CA 0.161 57.990 58.200 -0.618 0.000 1.114 352 S CB -1.528 61.137 63.200 -0.891 0.000 0.907 352 S HN 0.329 nan 8.310 nan 0.000 0.470 353 L N 1.648 122.627 121.223 -0.407 0.000 2.477 353 L HA 0.369 4.729 4.340 0.033 0.000 0.272 353 L C 0.766 177.449 176.870 -0.311 0.000 1.157 353 L CA 0.142 54.794 54.840 -0.312 0.000 0.889 353 L CB 0.063 42.002 42.059 -0.199 0.000 1.158 353 L HN 0.463 nan 8.230 nan 0.000 0.473 354 I N 0.218 120.609 120.570 -0.298 0.000 2.750 354 I HA 0.616 4.806 4.170 0.033 0.000 0.308 354 I C 0.443 176.487 176.117 -0.122 0.000 1.016 354 I CA -0.635 60.513 61.300 -0.254 0.000 1.098 354 I CB 2.046 39.852 38.000 -0.322 0.000 1.279 354 I HN 0.574 nan 8.210 nan 0.000 0.454 355 S N 3.609 119.265 115.700 -0.073 0.000 2.645 355 S HA 0.371 4.861 4.470 0.033 0.000 0.266 355 S C 0.943 175.568 174.600 0.041 0.000 1.258 355 S CA -0.512 57.676 58.200 -0.020 0.000 0.990 355 S CB 1.663 64.856 63.200 -0.011 0.000 0.967 355 S HN 0.893 nan 8.310 nan 0.000 0.556 356 R N 0.523 121.056 120.500 0.056 0.000 2.073 356 R HA -0.079 4.281 4.340 0.033 0.000 0.234 356 R C 2.499 178.893 176.300 0.156 0.000 1.134 356 R CA 1.489 57.666 56.100 0.128 0.000 0.952 356 R CB -1.152 29.199 30.300 0.086 0.000 0.850 356 R HN 0.865 nan 8.270 nan 0.000 0.433 357 A N 0.774 123.648 122.820 0.090 0.000 1.892 357 A HA -0.279 4.061 4.320 0.033 0.000 0.218 357 A C 2.049 179.682 177.584 0.083 0.000 1.188 357 A CA 1.790 53.869 52.037 0.071 0.000 0.631 357 A CB -0.631 18.396 19.000 0.045 0.000 0.822 357 A HN 0.512 nan 8.150 nan 0.000 0.447 358 Q N -2.027 117.826 119.800 0.090 0.000 2.170 358 Q HA -0.126 4.234 4.340 0.033 0.000 0.203 358 Q C 1.853 177.975 176.000 0.203 0.000 0.976 358 Q CA 1.495 57.363 55.803 0.108 0.000 0.858 358 Q CB -0.262 28.504 28.738 0.047 0.000 0.907 358 Q HN 0.835 nan 8.270 nan 0.000 0.433 359 F N 0.822 120.808 119.950 0.060 0.000 2.113 359 F HA -0.188 4.362 4.527 0.038 0.000 0.297 359 F C 1.691 177.537 175.800 0.076 0.000 1.103 359 F CA 0.846 58.897 58.000 0.085 0.000 1.248 359 F CB 0.103 39.137 39.000 0.055 0.000 0.999 359 F HN -0.039 nan 8.300 nan 0.000 0.475 360 L N 0.581 121.740 121.223 -0.108 0.000 1.989 360 L HA -0.231 4.129 4.340 0.033 0.000 0.211 360 L C 2.918 179.715 176.870 -0.121 0.000 1.071 360 L CA 1.316 56.036 54.840 -0.199 0.000 0.749 360 L CB -1.795 40.228 42.059 -0.060 0.000 0.890 360 L HN 0.238 nan 8.230 nan 0.000 0.431 361 A N 0.914 123.721 122.820 -0.022 0.000 1.917 361 A HA -0.171 4.169 4.320 0.033 0.000 0.219 361 A C 2.444 180.039 177.584 0.019 0.000 1.182 361 A CA 2.012 54.056 52.037 0.010 0.000 0.633 361 A CB -1.431 17.596 19.000 0.046 0.000 0.819 361 A HN 0.487 nan 8.150 nan 0.000 0.448 362 G N -0.823 108.008 108.800 0.051 0.000 2.450 362 G HA2 -0.103 3.877 3.960 0.033 0.000 0.220 362 G HA3 -0.103 3.877 3.960 0.033 0.000 0.220 362 G C 1.479 176.368 174.900 -0.018 0.000 1.130 362 G CA 1.202 46.348 45.100 0.077 0.000 0.760 362 G HN 0.345 nan 8.290 nan 0.000 0.557 363 V N 0.972 120.802 119.914 -0.140 0.000 2.358 363 V HA -0.120 4.020 4.120 0.033 0.000 0.246 363 V C 2.964 179.014 176.094 -0.072 0.000 1.047 363 V CA 1.603 63.807 62.300 -0.161 0.000 1.035 363 V CB -0.351 31.282 31.823 -0.317 0.000 0.658 363 V HN 0.235 nan 8.190 nan 0.000 0.452 364 R N -0.004 120.461 120.500 -0.058 0.000 2.096 364 R HA 0.008 4.368 4.340 0.033 0.000 0.235 364 R C 2.033 178.327 176.300 -0.011 0.000 1.127 364 R CA 1.399 57.482 56.100 -0.029 0.000 0.968 364 R CB -0.834 29.454 30.300 -0.020 0.000 0.861 364 R HN 0.471 nan 8.270 nan 0.000 0.440 365 I N -0.274 120.297 120.570 0.002 0.000 2.500 365 I HA -0.055 4.135 4.170 0.033 0.000 0.252 365 I C 2.283 178.409 176.117 0.014 0.000 1.142 365 I CA 1.190 62.502 61.300 0.020 0.000 1.451 365 I CB -0.446 37.583 38.000 0.049 0.000 1.093 365 I HN 0.187 nan 8.210 nan 0.000 0.430 366 G N 0.380 109.181 108.800 0.002 0.000 2.421 366 G HA2 -0.052 3.928 3.960 0.033 0.000 0.217 366 G HA3 -0.052 3.928 3.960 0.033 0.000 0.217 366 G C 0.900 175.793 174.900 -0.011 0.000 1.143 366 G CA 0.404 45.502 45.100 -0.004 0.000 0.784 366 G HN 0.236 nan 8.290 nan 0.000 0.541 367 V N 2.372 122.265 119.914 -0.036 0.000 2.361 367 V HA 0.206 4.346 4.120 0.033 0.000 0.252 367 V C -1.350 174.731 176.094 -0.021 0.000 0.986 367 V CA -1.066 61.186 62.300 -0.080 0.000 1.033 367 V CB 1.451 33.218 31.823 -0.093 0.000 1.282 367 V HN 0.081 nan 8.190 nan 0.000 0.514 368 P HA -0.237 nan 4.420 nan 0.000 0.217 368 P C 1.431 178.727 177.300 -0.005 0.000 1.148 368 P CA 1.334 64.433 63.100 -0.001 0.000 0.828 368 P CB 0.308 32.008 31.700 -0.001 0.000 0.783 369 Q N -0.256 119.547 119.800 0.004 0.000 2.451 369 Q HA 0.104 4.464 4.340 0.033 0.000 0.206 369 Q C 0.772 176.764 176.000 -0.013 0.000 0.947 369 Q CA 0.274 56.075 55.803 -0.003 0.000 0.937 369 Q CB -0.721 28.023 28.738 0.010 0.000 1.025 369 Q HN 0.062 nan 8.270 nan 0.000 0.511 370 A N 2.199 125.010 122.820 -0.015 0.000 2.462 370 A HA 0.349 4.689 4.320 0.033 0.000 0.243 370 A C 0.459 178.030 177.584 -0.023 0.000 1.076 370 A CA 0.162 52.186 52.037 -0.022 0.000 0.773 370 A CB 0.301 19.291 19.000 -0.018 0.000 1.010 370 A HN 0.525 nan 8.150 nan 0.000 0.493 371 S N 1.494 117.177 115.700 -0.028 0.000 2.645 371 S HA 0.242 4.732 4.470 0.033 0.000 0.266 371 S C 0.408 175.000 174.600 -0.014 0.000 1.258 371 S CA -0.000 58.186 58.200 -0.024 0.000 0.990 371 S CB 0.633 63.814 63.200 -0.031 0.000 0.967 371 S HN 0.612 nan 8.310 nan 0.000 0.556 372 D N 0.445 120.840 120.400 -0.008 0.000 2.103 372 D HA -0.132 4.528 4.640 0.033 0.000 0.190 372 D C 1.797 178.105 176.300 0.012 0.000 0.997 372 D CA 1.573 55.574 54.000 0.001 0.000 0.833 372 D CB -0.597 40.205 40.800 0.003 0.000 0.961 372 D HN 0.482 nan 8.370 nan 0.000 0.447 373 L N 0.606 121.836 121.223 0.012 0.000 2.012 373 L HA -0.135 4.225 4.340 0.033 0.000 0.210 373 L C 2.105 179.001 176.870 0.042 0.000 1.073 373 L CA 2.195 57.052 54.840 0.029 0.000 0.748 373 L CB -0.729 41.341 42.059 0.018 0.000 0.891 373 L HN 0.017 nan 8.230 nan 0.000 0.431 374 A N -0.413 122.411 122.820 0.008 0.000 1.908 374 A HA -0.145 4.195 4.320 0.033 0.000 0.218 374 A C 2.445 180.053 177.584 0.040 0.000 1.181 374 A CA 1.976 54.012 52.037 -0.001 0.000 0.627 374 A CB -1.234 17.732 19.000 -0.057 0.000 0.818 374 A HN 0.624 nan 8.150 nan 0.000 0.445 375 A N -0.399 122.435 122.820 0.023 0.000 1.930 375 A HA -0.098 4.242 4.320 0.033 0.000 0.217 375 A C 1.950 179.557 177.584 0.039 0.000 1.175 375 A CA 1.968 54.015 52.037 0.017 0.000 0.627 375 A CB -0.460 18.532 19.000 -0.013 0.000 0.815 375 A HN 0.592 nan 8.150 nan 0.000 0.443 376 E N 0.394 120.628 120.200 0.057 0.000 2.110 376 E HA -0.097 4.273 4.350 0.033 0.000 0.193 376 E C 1.956 178.643 176.600 0.145 0.000 0.988 376 E CA 1.591 58.043 56.400 0.087 0.000 0.804 376 E CB -0.396 29.353 29.700 0.082 0.000 0.745 376 E HN 0.479 nan 8.360 nan 0.000 0.458 377 A N 0.114 123.045 122.820 0.184 0.000 1.877 377 A HA -0.147 4.193 4.320 0.033 0.000 0.216 377 A C 2.487 180.228 177.584 0.262 0.000 1.186 377 A CA 1.665 53.874 52.037 0.286 0.000 0.620 377 A CB -0.887 18.378 19.000 0.442 0.000 0.822 377 A HN 0.204 nan 8.150 nan 0.000 0.443 378 V N -0.318 119.764 119.914 0.280 0.000 2.252 378 V HA -0.281 3.859 4.120 0.033 0.000 0.249 378 V C 2.567 178.817 176.094 0.260 0.000 1.056 378 V CA 2.173 64.596 62.300 0.206 0.000 1.022 378 V CB -1.027 30.904 31.823 0.181 0.000 0.641 378 V HN 0.371 nan 8.190 nan 0.000 0.445 379 V N -0.307 119.707 119.914 0.168 0.000 2.255 379 V HA -0.275 3.865 4.120 0.033 0.000 0.247 379 V C 2.316 178.617 176.094 0.345 0.000 1.051 379 V CA 2.259 64.690 62.300 0.217 0.000 1.018 379 V CB -0.540 31.322 31.823 0.065 0.000 0.641 379 V HN 0.450 nan 8.190 nan 0.000 0.445 380 L N -0.685 120.723 121.223 0.308 0.000 2.131 380 L HA -0.214 4.146 4.340 0.033 0.000 0.210 380 L C 2.517 179.608 176.870 0.368 0.000 1.092 380 L CA 1.933 57.036 54.840 0.438 0.000 0.759 380 L CB -0.731 41.523 42.059 0.326 0.000 0.903 380 L HN 0.499 nan 8.230 nan 0.000 0.435 381 H N -1.030 118.058 119.070 0.031 0.000 2.395 381 H HA -0.173 4.405 4.556 0.036 0.000 0.299 381 H C 1.793 177.022 175.328 -0.166 0.000 1.070 381 H CA 1.713 57.622 56.048 -0.231 0.000 1.356 381 H CB 0.045 29.277 29.762 -0.883 0.000 1.401 381 H HN 0.245 nan 8.280 nan 0.000 0.524 382 Y N 0.341 120.681 120.300 0.065 0.000 2.511 382 Y HA 0.101 4.670 4.550 0.032 0.000 0.279 382 Y C 0.717 176.571 175.900 -0.077 0.000 1.157 382 Y CA 0.338 58.481 58.100 0.072 0.000 1.300 382 Y CB 0.307 38.951 38.460 0.307 0.000 1.052 382 Y HN 0.090 nan 8.280 nan 0.000 0.529 383 T N 0.628 115.153 114.554 -0.048 0.000 2.918 383 T HA -0.028 4.342 4.350 0.033 0.000 0.302 383 T C -0.298 174.031 174.700 -0.618 0.000 1.045 383 T CA -0.365 61.449 62.100 -0.476 0.000 1.114 383 T CB 0.606 68.891 68.868 -0.973 0.000 0.965 383 T HN 0.011 nan 8.240 nan 0.000 0.540 384 D N 0.922 120.959 120.400 -0.604 0.000 2.428 384 D HA 0.158 4.818 4.640 0.033 0.000 0.221 384 D C -0.139 175.840 176.300 -0.536 0.000 1.123 384 D CA -0.818 52.895 54.000 -0.478 0.000 0.869 384 D CB 0.293 40.808 40.800 -0.476 0.000 1.032 384 D HN 0.588 nan 8.370 nan 0.000 0.506 385 W N 3.034 124.241 121.300 -0.156 0.000 2.961 385 W HA 0.080 4.758 4.660 0.029 0.000 0.240 385 W C 1.773 178.167 176.519 -0.208 0.000 1.305 385 W CA -0.223 57.035 57.345 -0.145 0.000 1.465 385 W CB 0.010 29.403 29.460 -0.111 0.000 1.135 385 W HN 0.413 nan 8.180 nan 0.000 0.688 386 L N -0.800 120.288 121.223 -0.226 0.000 2.249 386 L HA -0.005 4.355 4.340 0.033 0.000 0.207 386 L C 0.712 177.143 176.870 -0.731 0.000 1.090 386 L CA 0.937 55.471 54.840 -0.510 0.000 0.802 386 L CB -0.165 41.453 42.059 -0.735 0.000 0.947 386 L HN 0.090 nan 8.230 nan 0.000 0.453 387 H N -1.559 117.404 119.070 -0.177 0.000 2.514 387 H HA 0.227 4.790 4.556 0.011 0.000 0.226 387 H C -2.116 173.061 175.328 -0.252 0.000 1.421 387 H CA -1.409 54.531 56.048 -0.179 0.000 1.394 387 H CB 0.345 29.999 29.762 -0.181 0.000 1.701 387 H HN 0.042 nan 8.280 nan 0.000 0.515 388 P HA -0.037 nan 4.420 nan 0.000 0.233 388 P C 0.815 178.012 177.300 -0.171 0.000 1.167 388 P CA 0.763 63.687 63.100 -0.293 0.000 0.770 388 P CB 0.608 32.126 31.700 -0.304 0.000 0.837 389 E N -0.065 120.088 120.200 -0.077 0.000 2.481 389 E HA 0.043 4.413 4.350 0.033 0.000 0.198 389 E C -0.078 176.504 176.600 -0.031 0.000 1.027 389 E CA -0.013 56.362 56.400 -0.041 0.000 0.900 389 E CB 0.001 29.694 29.700 -0.012 0.000 0.993 389 E HN 0.300 nan 8.360 nan 0.000 0.482 390 D N 1.905 122.293 120.400 -0.020 0.000 2.343 390 D HA 0.037 4.697 4.640 0.033 0.000 0.255 390 D C -1.680 174.614 176.300 -0.009 0.000 1.187 390 D CA -1.853 52.157 54.000 0.017 0.000 0.875 390 D CB 1.531 42.394 40.800 0.106 0.000 1.136 390 D HN -0.204 nan 8.370 nan 0.000 0.469 391 P HA -0.085 nan 4.420 nan 0.000 0.219 391 P C 1.106 178.340 177.300 -0.109 0.000 1.150 391 P CA 0.840 63.888 63.100 -0.088 0.000 0.814 391 P CB 0.229 31.870 31.700 -0.098 0.000 0.787 392 T N -1.368 113.130 114.554 -0.094 0.000 2.674 392 T HA -0.176 4.194 4.350 0.033 0.000 0.265 392 T C 1.543 176.161 174.700 -0.137 0.000 1.039 392 T CA 1.638 63.658 62.100 -0.134 0.000 1.150 392 T CB -1.100 67.671 68.868 -0.161 0.000 0.864 392 T HN 0.255 nan 8.240 nan 0.000 0.427 393 H N 0.664 119.669 119.070 -0.108 0.000 2.319 393 H HA 0.054 4.625 4.556 0.025 0.000 0.299 393 H C 2.205 177.424 175.328 -0.183 0.000 1.092 393 H CA 1.306 57.286 56.048 -0.114 0.000 1.302 393 H CB -0.414 29.278 29.762 -0.117 0.000 1.373 393 H HN 0.169 nan 8.280 nan 0.000 0.497 394 L N 0.071 121.224 121.223 -0.117 0.000 2.042 394 L HA -0.211 4.149 4.340 0.033 0.000 0.210 394 L C 2.793 179.539 176.870 -0.207 0.000 1.076 394 L CA 1.266 55.902 54.840 -0.339 0.000 0.749 394 L CB -0.359 41.539 42.059 -0.269 0.000 0.893 394 L HN 0.261 nan 8.230 nan 0.000 0.432 395 R N 0.477 120.929 120.500 -0.080 0.000 2.080 395 R HA -0.196 4.164 4.340 0.033 0.000 0.236 395 R C 1.755 178.129 176.300 0.123 0.000 1.137 395 R CA 2.214 58.349 56.100 0.060 0.000 0.943 395 R CB -0.543 29.675 30.300 -0.138 0.000 0.846 395 R HN 0.359 nan 8.270 nan 0.000 0.431 396 D N 0.403 120.833 120.400 0.050 0.000 2.144 396 D HA -0.125 4.535 4.640 0.033 0.000 0.199 396 D C 1.747 178.108 176.300 0.103 0.000 0.984 396 D CA 1.485 55.545 54.000 0.100 0.000 0.834 396 D CB -0.199 40.630 40.800 0.049 0.000 0.955 396 D HN 0.399 nan 8.370 nan 0.000 0.465 397 A N 0.835 123.666 122.820 0.018 0.000 1.902 397 A HA -0.171 4.169 4.320 0.033 0.000 0.217 397 A C 2.170 179.783 177.584 0.049 0.000 1.181 397 A CA 1.646 53.691 52.037 0.014 0.000 0.623 397 A CB -0.519 18.342 19.000 -0.231 0.000 0.818 397 A HN 0.165 nan 8.150 nan 0.000 0.443 398 M N -0.035 119.637 119.600 0.120 0.000 2.149 398 M HA -0.109 4.391 4.480 0.033 0.000 0.261 398 M C 2.248 178.608 176.300 0.100 0.000 1.064 398 M CA 2.166 57.639 55.300 0.288 0.000 1.102 398 M CB -0.498 32.340 32.600 0.396 0.000 1.369 398 M HN 0.391 nan 8.290 nan 0.000 0.408 399 S N -0.469 115.294 115.700 0.104 0.000 2.368 399 S HA -0.054 4.436 4.470 0.033 0.000 0.225 399 S C 2.001 176.663 174.600 0.104 0.000 1.030 399 S CA 1.399 59.668 58.200 0.115 0.000 0.999 399 S CB -0.502 62.825 63.200 0.212 0.000 0.844 399 S HN 0.642 nan 8.310 nan 0.000 0.459 400 A N 0.706 123.596 122.820 0.118 0.000 1.929 400 A HA 0.076 4.416 4.320 0.033 0.000 0.216 400 A C 2.316 179.941 177.584 0.068 0.000 1.176 400 A CA 1.447 53.587 52.037 0.171 0.000 0.628 400 A CB -0.953 18.252 19.000 0.342 0.000 0.816 400 A HN 0.432 nan 8.150 nan 0.000 0.444 401 V N -0.295 119.511 119.914 -0.180 0.000 2.287 401 V HA -0.256 3.884 4.120 0.033 0.000 0.248 401 V C 2.573 178.602 176.094 -0.108 0.000 1.053 401 V CA 2.197 64.363 62.300 -0.224 0.000 1.027 401 V CB -0.714 30.997 31.823 -0.187 0.000 0.646 401 V HN 0.380 nan 8.190 nan 0.000 0.447 402 V N 0.482 120.351 119.914 -0.076 0.000 2.379 402 V HA -0.109 4.031 4.120 0.033 0.000 0.245 402 V C 2.566 178.544 176.094 -0.193 0.000 1.044 402 V CA 2.051 64.281 62.300 -0.116 0.000 1.036 402 V CB -1.218 30.570 31.823 -0.059 0.000 0.664 402 V HN 0.605 nan 8.190 nan 0.000 0.453 403 G N -0.217 108.535 108.800 -0.080 0.000 2.414 403 G HA2 -0.228 3.752 3.960 0.033 0.000 0.215 403 G HA3 -0.228 3.752 3.960 0.033 0.000 0.215 403 G C 1.219 176.036 174.900 -0.139 0.000 1.188 403 G CA 1.008 46.070 45.100 -0.063 0.000 0.783 403 G HN 0.491 nan 8.290 nan 0.000 0.537 404 D N -0.065 120.281 120.400 -0.090 0.000 2.104 404 D HA -0.121 4.539 4.640 0.033 0.000 0.194 404 D C 2.103 178.096 176.300 -0.512 0.000 0.994 404 D CA 1.428 55.341 54.000 -0.145 0.000 0.830 404 D CB -0.569 40.312 40.800 0.134 0.000 0.959 404 D HN 0.426 nan 8.370 nan 0.000 0.452 405 H N 0.585 119.080 119.070 -0.959 0.000 2.387 405 H HA 0.007 4.583 4.556 0.033 0.000 0.299 405 H C 1.460 176.386 175.328 -0.669 0.000 1.090 405 H CA 1.665 56.958 56.048 -1.257 0.000 1.332 405 H CB 0.094 29.052 29.762 -1.339 0.000 1.386 405 H HN 0.007 nan 8.280 nan 0.000 0.516 406 N N -1.018 117.238 118.700 -0.740 0.000 2.432 406 N HA 0.028 4.788 4.740 0.033 0.000 0.174 406 N C 1.179 176.413 175.510 -0.459 0.000 1.037 406 N CA 1.036 53.581 53.050 -0.843 0.000 0.892 406 N CB 1.101 38.605 38.487 -1.638 0.000 1.049 406 N HN 0.262 nan 8.380 nan 0.000 0.442 407 V N -0.289 119.430 119.914 -0.325 0.000 3.449 407 V HA 0.058 4.198 4.120 0.033 0.000 0.208 407 V C 2.206 178.258 176.094 -0.070 0.000 1.269 407 V CA 0.180 62.429 62.300 -0.084 0.000 1.301 407 V CB -0.345 31.503 31.823 0.042 0.000 1.306 407 V HN -0.191 nan 8.190 nan 0.000 0.531 408 V N 0.264 120.141 119.914 -0.060 0.000 2.282 408 V HA -0.330 3.810 4.120 0.033 0.000 0.249 408 V C 2.463 178.522 176.094 -0.058 0.000 1.057 408 V CA 2.654 64.930 62.300 -0.040 0.000 1.032 408 V CB -0.978 30.850 31.823 0.008 0.000 0.645 408 V HN 0.691 nan 8.190 nan 0.000 0.447 409 c N -0.639 117.919 118.600 -0.070 0.000 2.467 409 c HA 0.051 4.642 4.570 0.033 0.000 0.279 409 c C 0.532 174.589 174.090 -0.055 0.000 1.347 409 c CA 0.663 56.978 56.329 -0.023 0.000 1.748 409 c CB -1.662 40.877 42.510 0.049 0.000 1.977 409 c HN 0.459 nan 8.230 nan 0.000 0.501 410 P HA -0.072 nan 4.420 nan 0.000 0.216 410 P C 1.801 179.041 177.300 -0.100 0.000 1.150 410 P CA 1.322 64.352 63.100 -0.116 0.000 0.837 410 P CB -0.156 31.448 31.700 -0.160 0.000 0.786 411 V N 0.300 120.155 119.914 -0.098 0.000 2.261 411 V HA -0.283 3.857 4.120 0.033 0.000 0.246 411 V C 2.478 178.473 176.094 -0.165 0.000 1.047 411 V CA 2.361 64.585 62.300 -0.127 0.000 1.015 411 V CB -1.690 30.051 31.823 -0.137 0.000 0.642 411 V HN 0.099 nan 8.190 nan 0.000 0.446 412 A N -0.499 122.239 122.820 -0.136 0.000 1.892 412 A HA -0.367 3.973 4.320 0.033 0.000 0.218 412 A C 2.244 179.789 177.584 -0.064 0.000 1.188 412 A CA 2.526 54.491 52.037 -0.120 0.000 0.631 412 A CB -0.658 18.326 19.000 -0.027 0.000 0.822 412 A HN 0.664 nan 8.150 nan 0.000 0.447 413 Q N -0.911 118.868 119.800 -0.035 0.000 2.050 413 Q HA -0.179 4.181 4.340 0.033 0.000 0.202 413 Q C 1.958 177.936 176.000 -0.036 0.000 0.980 413 Q CA 1.855 57.651 55.803 -0.011 0.000 0.840 413 Q CB -0.345 28.387 28.738 -0.010 0.000 0.898 413 Q HN 0.508 nan 8.270 nan 0.000 0.424 414 L N 0.667 121.841 121.223 -0.081 0.000 2.012 414 L HA -0.110 4.250 4.340 0.033 0.000 0.210 414 L C 2.297 179.096 176.870 -0.118 0.000 1.073 414 L CA 2.369 57.146 54.840 -0.105 0.000 0.748 414 L CB -1.079 40.905 42.059 -0.125 0.000 0.891 414 L HN 0.327 nan 8.230 nan 0.000 0.431 415 A N -0.505 122.210 122.820 -0.175 0.000 1.883 415 A HA -0.120 4.220 4.320 0.033 0.000 0.217 415 A C 2.367 179.956 177.584 0.008 0.000 1.186 415 A CA 1.773 53.667 52.037 -0.239 0.000 0.624 415 A CB -1.701 16.879 19.000 -0.700 0.000 0.822 415 A HN 0.554 nan 8.150 nan 0.000 0.444 416 G N -0.600 108.263 108.800 0.104 0.000 2.446 416 G HA2 -0.258 3.722 3.960 0.033 0.000 0.217 416 G HA3 -0.258 3.722 3.960 0.033 0.000 0.217 416 G C 1.706 176.680 174.900 0.123 0.000 1.168 416 G CA 0.980 46.208 45.100 0.213 0.000 0.771 416 G HN 0.414 nan 8.290 nan 0.000 0.551 417 R N 0.251 120.792 120.500 0.068 0.000 2.066 417 R HA 0.113 4.473 4.340 0.033 0.000 0.232 417 R C 2.732 179.087 176.300 0.092 0.000 1.131 417 R CA 0.609 56.757 56.100 0.079 0.000 0.955 417 R CB -1.234 29.108 30.300 0.070 0.000 0.851 417 R HN 0.423 nan 8.270 nan 0.000 0.432 418 L N 0.391 121.605 121.223 -0.016 0.000 2.042 418 L HA -0.157 4.203 4.340 0.033 0.000 0.210 418 L C 2.621 179.532 176.870 0.068 0.000 1.076 418 L CA 1.569 56.367 54.840 -0.071 0.000 0.749 418 L CB -0.747 41.169 42.059 -0.237 0.000 0.893 418 L HN 0.150 nan 8.230 nan 0.000 0.432 419 A N 0.092 122.965 122.820 0.088 0.000 1.873 419 A HA -0.081 4.259 4.320 0.033 0.000 0.215 419 A C 2.582 180.222 177.584 0.093 0.000 1.186 419 A CA 1.463 53.561 52.037 0.103 0.000 0.616 419 A CB -0.732 18.364 19.000 0.160 0.000 0.823 419 A HN 0.368 nan 8.150 nan 0.000 0.442 420 A N -0.902 121.977 122.820 0.099 0.000 1.948 420 A HA -0.218 4.122 4.320 0.033 0.000 0.220 420 A C 1.853 179.494 177.584 0.095 0.000 1.177 420 A CA 1.844 53.932 52.037 0.085 0.000 0.636 420 A CB -0.400 18.651 19.000 0.085 0.000 0.815 420 A HN 0.617 nan 8.150 nan 0.000 0.449 421 Q N -2.002 117.885 119.800 0.144 0.000 2.225 421 Q HA 0.400 4.760 4.340 0.033 0.000 0.259 421 Q C 0.857 176.954 176.000 0.162 0.000 0.872 421 Q CA 0.398 56.297 55.803 0.160 0.000 1.042 421 Q CB 0.415 29.293 28.738 0.234 0.000 1.142 421 Q HN 0.824 nan 8.270 nan 0.000 0.463 422 G N -0.317 108.556 108.800 0.122 0.000 2.213 422 G HA2 -0.303 3.677 3.960 0.033 0.000 0.236 422 G HA3 -0.303 3.677 3.960 0.033 0.000 0.236 422 G C 0.393 175.361 174.900 0.113 0.000 0.991 422 G CA -0.150 45.008 45.100 0.097 0.000 0.629 422 G HN 0.569 nan 8.290 nan 0.000 0.517 423 A N 0.090 123.003 122.820 0.155 0.000 2.386 423 A HA 0.669 5.009 4.320 0.033 0.000 0.246 423 A C 0.744 178.365 177.584 0.062 0.000 1.089 423 A CA 0.830 52.938 52.037 0.118 0.000 0.790 423 A CB 0.307 19.360 19.000 0.088 0.000 1.042 423 A HN 0.960 nan 8.150 nan 0.000 0.497 424 R N 1.027 121.558 120.500 0.052 0.000 2.310 424 R HA 0.559 4.919 4.340 0.033 0.000 0.324 424 R C -1.899 174.385 176.300 -0.027 0.000 0.955 424 R CA -0.280 55.816 56.100 -0.006 0.000 0.830 424 R CB 0.956 31.273 30.300 0.028 0.000 1.154 424 R HN 0.459 nan 8.270 nan 0.000 0.458 425 V N 5.562 125.394 119.914 -0.138 0.000 2.540 425 V HA 0.434 4.574 4.120 0.033 0.000 0.302 425 V C -1.166 174.761 176.094 -0.278 0.000 1.035 425 V CA -0.777 61.465 62.300 -0.096 0.000 0.873 425 V CB 1.546 33.378 31.823 0.016 0.000 0.992 425 V HN 0.661 nan 8.190 nan 0.000 0.428 426 Y N 2.205 122.463 120.300 -0.069 0.000 2.393 426 Y HA 0.808 5.378 4.550 0.033 0.000 0.341 426 Y C 0.363 176.341 175.900 0.130 0.000 0.988 426 Y CA -0.548 57.507 58.100 -0.075 0.000 1.078 426 Y CB 2.202 40.246 38.460 -0.693 0.000 1.203 426 Y HN 0.765 nan 8.280 nan 0.000 0.453 427 A N 2.946 126.158 122.820 0.653 0.000 2.401 427 A HA 0.866 5.206 4.320 0.033 0.000 0.310 427 A C -1.860 176.128 177.584 0.675 0.000 1.075 427 A CA -0.693 51.611 52.037 0.445 0.000 0.746 427 A CB 1.099 20.181 19.000 0.138 0.000 1.277 427 A HN 0.757 nan 8.150 nan 0.000 0.425 428 Y N -0.679 119.862 120.300 0.402 0.000 2.615 428 Y HA 0.799 5.368 4.550 0.033 0.000 0.341 428 Y C -1.186 174.896 175.900 0.302 0.000 1.089 428 Y CA -1.624 56.662 58.100 0.309 0.000 1.049 428 Y CB 1.378 40.024 38.460 0.310 0.000 1.296 428 Y HN 0.739 nan 8.280 nan 0.000 0.470 429 I N 2.888 123.782 120.570 0.539 0.000 2.478 429 I HA 0.462 4.652 4.170 0.033 0.000 0.287 429 I C -1.936 174.515 176.117 0.557 0.000 1.042 429 I CA -0.961 60.619 61.300 0.467 0.000 1.067 429 I CB 1.094 39.292 38.000 0.331 0.000 1.233 429 I HN 0.735 nan 8.210 nan 0.000 0.431 430 F N 7.290 127.544 119.950 0.506 0.000 2.404 430 F HA 0.376 4.924 4.527 0.034 0.000 0.358 430 F C 0.742 176.710 175.800 0.279 0.000 1.120 430 F CA 0.228 58.464 58.000 0.394 0.000 1.144 430 F CB 0.909 40.162 39.000 0.421 0.000 1.133 430 F HN 0.570 nan 8.300 nan 0.000 0.495 431 E N 2.664 122.791 120.200 -0.122 0.000 2.601 431 E HA -0.025 4.345 4.350 0.033 0.000 0.219 431 E C -0.689 175.842 176.600 -0.115 0.000 0.964 431 E CA -0.158 56.227 56.400 -0.025 0.000 1.050 431 E CB 0.303 29.993 29.700 -0.017 0.000 1.068 431 E HN 0.555 nan 8.360 nan 0.000 0.496 432 H N 1.421 120.218 119.070 -0.455 0.000 2.562 432 H HA 0.215 4.791 4.556 0.033 0.000 0.314 432 H C -0.311 175.011 175.328 -0.010 0.000 1.079 432 H CA -0.425 55.402 56.048 -0.368 0.000 1.349 432 H CB 0.560 29.867 29.762 -0.758 0.000 1.432 432 H HN -0.159 nan 8.280 nan 0.000 0.479 433 R N 4.314 124.480 120.500 -0.557 0.000 2.202 433 R HA 0.465 4.825 4.340 0.033 0.000 0.334 433 R C -0.600 175.480 176.300 -0.367 0.000 1.036 433 R CA -0.614 55.322 56.100 -0.273 0.000 0.878 433 R CB 0.344 30.556 30.300 -0.147 0.000 1.067 433 R HN 0.825 nan 8.270 nan 0.000 0.457 434 A N 3.304 126.215 122.820 0.151 0.000 2.567 434 A HA -0.022 4.318 4.320 0.033 0.000 0.240 434 A C 1.362 179.055 177.584 0.183 0.000 1.053 434 A CA 0.614 52.927 52.037 0.460 0.000 0.755 434 A CB 0.233 19.575 19.000 0.569 0.000 0.978 434 A HN 1.032 nan 8.150 nan 0.000 0.507 435 S N 1.818 117.657 115.700 0.231 0.000 2.419 435 S HA -0.173 4.317 4.470 0.033 0.000 0.233 435 S C 1.544 176.139 174.600 -0.007 0.000 1.016 435 S CA 1.629 59.883 58.200 0.089 0.000 0.974 435 S CB -0.955 62.318 63.200 0.122 0.000 0.786 435 S HN 1.307 nan 8.310 nan 0.000 0.492 436 T N -0.641 113.872 114.554 -0.067 0.000 3.160 436 T HA 0.249 4.619 4.350 0.033 0.000 0.257 436 T C 0.480 175.096 174.700 -0.139 0.000 1.147 436 T CA -0.303 61.684 62.100 -0.189 0.000 1.064 436 T CB -0.618 67.994 68.868 -0.426 0.000 0.949 436 T HN 0.205 nan 8.240 nan 0.000 0.526 437 L N 3.547 124.725 121.223 -0.076 0.000 2.456 437 L HA 0.273 4.633 4.340 0.033 0.000 0.272 437 L C 1.667 178.478 176.870 -0.097 0.000 1.189 437 L CA 0.802 55.586 54.840 -0.094 0.000 0.846 437 L CB 1.066 43.078 42.059 -0.079 0.000 1.111 437 L HN 0.458 nan 8.230 nan 0.000 0.475 438 T N -1.504 112.961 114.554 -0.149 0.000 3.023 438 T HA 0.129 4.499 4.350 0.033 0.000 0.253 438 T C 0.279 174.992 174.700 0.020 0.000 1.038 438 T CA -0.484 61.533 62.100 -0.137 0.000 0.962 438 T CB -0.246 68.405 68.868 -0.362 0.000 1.018 438 T HN 0.326 nan 8.240 nan 0.000 0.521 439 W N 3.470 124.793 121.300 0.038 0.000 2.184 439 W HA 0.459 5.138 4.660 0.033 0.000 0.338 439 W C -2.007 174.425 176.519 -0.145 0.000 1.257 439 W CA -2.207 55.133 57.345 -0.009 0.000 1.243 439 W CB 0.296 29.688 29.460 -0.114 0.000 1.122 439 W HN -0.017 nan 8.180 nan 0.000 0.585 440 P HA 0.016 nan 4.420 nan 0.000 0.273 440 P C 0.659 177.879 177.300 -0.133 0.000 1.250 440 P CA -0.046 63.018 63.100 -0.060 0.000 0.793 440 P CB 0.908 32.581 31.700 -0.046 0.000 1.011 441 L N -0.126 121.085 121.223 -0.021 0.000 2.127 441 L HA -0.139 4.221 4.340 0.033 0.000 0.211 441 L C 2.593 179.487 176.870 0.040 0.000 1.089 441 L CA 1.601 56.448 54.840 0.012 0.000 0.757 441 L CB -0.878 41.218 42.059 0.061 0.000 0.899 441 L HN 0.621 nan 8.230 nan 0.000 0.434 442 W N -0.481 120.857 121.300 0.063 0.000 2.421 442 W HA -0.151 4.528 4.660 0.032 0.000 0.270 442 W C 1.713 178.278 176.519 0.078 0.000 1.233 442 W CA 0.416 57.799 57.345 0.063 0.000 1.226 442 W CB -0.756 28.745 29.460 0.069 0.000 1.121 442 W HN 0.169 nan 8.180 nan 0.000 0.579 443 M N 1.312 120.615 119.600 -0.496 0.000 2.619 443 M HA 0.115 4.615 4.480 0.033 0.000 0.251 443 M C 1.861 178.076 176.300 -0.143 0.000 1.106 443 M CA 1.435 56.433 55.300 -0.503 0.000 1.086 443 M CB -0.525 31.596 32.600 -0.798 0.000 1.465 443 M HN 0.204 nan 8.290 nan 0.000 0.506 444 G N 0.570 109.337 108.800 -0.054 0.000 2.629 444 G HA2 -0.301 3.679 3.960 0.033 0.000 0.313 444 G HA3 -0.301 3.679 3.960 0.033 0.000 0.313 444 G C -0.085 174.826 174.900 0.018 0.000 1.217 444 G CA 0.000 45.110 45.100 0.016 0.000 0.994 444 G HN 0.247 nan 8.290 nan 0.000 0.549 445 V N 3.550 123.520 119.914 0.092 0.000 2.277 445 V HA 0.478 4.618 4.120 0.033 0.000 0.269 445 V C -1.830 174.393 176.094 0.216 0.000 1.036 445 V CA -0.841 61.566 62.300 0.179 0.000 0.821 445 V CB 1.208 33.196 31.823 0.274 0.000 1.052 445 V HN 0.499 nan 8.190 nan 0.000 0.462 446 P HA 0.212 nan 4.420 nan 0.000 0.278 446 P C -0.284 177.221 177.300 0.342 0.000 1.266 446 P CA -0.632 62.585 63.100 0.195 0.000 0.807 446 P CB 0.390 32.086 31.700 -0.007 0.000 1.094 447 H N 0.286 119.439 119.070 0.139 0.000 3.217 447 H HA 0.236 4.812 4.556 0.033 0.000 0.272 447 H C 1.452 176.740 175.328 -0.066 0.000 0.929 447 H CA 2.387 58.484 56.048 0.082 0.000 1.425 447 H CB -0.949 28.857 29.762 0.073 0.000 1.505 447 H HN 0.698 nan 8.280 nan 0.000 0.542 448 G N 3.544 112.163 108.800 -0.302 0.000 2.253 448 G HA2 -0.277 3.703 3.960 0.033 0.000 0.209 448 G HA3 -0.277 3.703 3.960 0.033 0.000 0.209 448 G C 0.547 175.368 174.900 -0.132 0.000 0.997 448 G CA 0.158 45.043 45.100 -0.358 0.000 0.640 448 G HN 0.602 nan 8.290 nan 0.000 0.496 449 Y N 2.028 122.453 120.300 0.208 0.000 2.495 449 Y HA 0.242 4.812 4.550 0.034 0.000 0.293 449 Y C 2.354 178.373 175.900 0.198 0.000 1.186 449 Y CA 0.876 59.136 58.100 0.268 0.000 1.266 449 Y CB 0.394 39.042 38.460 0.314 0.000 1.101 449 Y HN 0.503 nan 8.280 nan 0.000 0.517 450 E N 0.410 120.595 120.200 -0.024 0.000 2.250 450 E HA -0.090 4.280 4.350 0.033 0.000 0.192 450 E C 1.655 178.141 176.600 -0.190 0.000 0.986 450 E CA 0.760 56.810 56.400 -0.583 0.000 0.849 450 E CB -0.408 28.654 29.700 -1.063 0.000 0.797 450 E HN 0.547 nan 8.360 nan 0.000 0.482 451 I N 3.091 123.649 120.570 -0.021 0.000 2.118 451 I HA -0.352 3.838 4.170 0.033 0.000 0.241 451 I C 2.848 178.953 176.117 -0.019 0.000 1.070 451 I CA 2.325 63.652 61.300 0.046 0.000 1.327 451 I CB -0.710 37.389 38.000 0.166 0.000 1.034 451 I HN 0.225 nan 8.210 nan 0.000 0.405 452 E N 1.393 121.521 120.200 -0.119 0.000 2.147 452 E HA -0.270 4.100 4.350 0.033 0.000 0.199 452 E C 2.127 178.471 176.600 -0.427 0.000 1.005 452 E CA 1.768 57.989 56.400 -0.299 0.000 0.810 452 E CB -0.693 28.798 29.700 -0.347 0.000 0.736 452 E HN 0.472 nan 8.360 nan 0.000 0.460 453 F N 1.481 121.324 119.950 -0.178 0.000 2.084 453 F HA -0.095 4.453 4.527 0.034 0.000 0.296 453 F C 2.512 178.086 175.800 -0.375 0.000 1.111 453 F CA 0.734 58.572 58.000 -0.270 0.000 1.224 453 F CB -0.330 38.595 39.000 -0.125 0.000 0.991 453 F HN -0.040 nan 8.300 nan 0.000 0.471 454 I N -0.659 119.750 120.570 -0.269 0.000 2.248 454 I HA -0.320 3.870 4.170 0.033 0.000 0.248 454 I C 2.191 178.063 176.117 -0.408 0.000 1.107 454 I CA 1.785 62.771 61.300 -0.524 0.000 1.373 454 I CB -1.555 36.000 38.000 -0.741 0.000 1.055 454 I HN 0.101 nan 8.210 nan 0.000 0.418 455 F N 0.659 120.420 119.950 -0.316 0.000 2.710 455 F HA 0.216 4.763 4.527 0.033 0.000 0.298 455 F C 1.888 177.546 175.800 -0.236 0.000 1.137 455 F CA 0.900 58.759 58.000 -0.235 0.000 1.444 455 F CB -0.109 38.739 39.000 -0.252 0.000 1.111 455 F HN 0.292 nan 8.300 nan 0.000 0.580 456 G N -0.047 108.600 108.800 -0.256 0.000 2.132 456 G HA2 -0.275 3.705 3.960 0.033 0.000 0.228 456 G HA3 -0.275 3.705 3.960 0.033 0.000 0.228 456 G C 0.908 175.241 174.900 -0.944 0.000 1.000 456 G CA 0.250 45.083 45.100 -0.445 0.000 0.693 456 G HN 0.273 nan 8.290 nan 0.000 0.515 457 L N 0.328 121.023 121.223 -0.880 0.000 2.079 457 L HA 0.046 4.406 4.340 0.033 0.000 0.210 457 L C 0.300 176.657 176.870 -0.855 0.000 1.081 457 L CA 2.578 56.828 54.840 -0.982 0.000 0.752 457 L CB -0.873 40.877 42.059 -0.515 0.000 0.896 457 L HN 0.182 nan 8.230 nan 0.000 0.433 458 P HA -0.133 nan 4.420 nan 0.000 0.229 458 P C 1.488 178.585 177.300 -0.338 0.000 1.150 458 P CA 0.822 63.445 63.100 -0.795 0.000 0.765 458 P CB 0.065 31.281 31.700 -0.808 0.000 0.783 459 L N -1.244 119.723 121.223 -0.427 0.000 2.291 459 L HA -0.024 4.336 4.340 0.033 0.000 0.214 459 L C 0.984 177.796 176.870 -0.098 0.000 1.120 459 L CA 1.209 55.911 54.840 -0.230 0.000 0.799 459 L CB -1.046 40.893 42.059 -0.200 0.000 0.925 459 L HN -0.055 nan 8.230 nan 0.000 0.446 460 D N 0.100 120.412 120.400 -0.146 0.000 2.352 460 D HA 0.079 4.739 4.640 0.033 0.000 0.245 460 D C -1.613 174.713 176.300 0.045 0.000 1.224 460 D CA -1.918 52.112 54.000 0.051 0.000 0.879 460 D CB 1.508 42.379 40.800 0.117 0.000 1.057 460 D HN 0.008 nan 8.370 nan 0.000 0.491 461 P HA -0.112 nan 4.420 nan 0.000 0.221 461 P C 1.248 178.564 177.300 0.028 0.000 1.150 461 P CA 0.727 63.850 63.100 0.038 0.000 0.800 461 P CB 0.051 31.768 31.700 0.029 0.000 0.787 462 S N -0.810 114.904 115.700 0.023 0.000 2.507 462 S HA -0.036 4.454 4.470 0.033 0.000 0.235 462 S C 1.617 176.205 174.600 -0.020 0.000 0.988 462 S CA 0.616 58.816 58.200 0.001 0.000 0.944 462 S CB -1.439 61.763 63.200 0.003 0.000 0.762 462 S HN 0.113 nan 8.310 nan 0.000 0.526 463 L N 0.820 122.043 121.223 -0.001 0.000 2.591 463 L HA 0.216 4.576 4.340 0.033 0.000 0.228 463 L C 0.264 177.028 176.870 -0.177 0.000 1.133 463 L CA -0.136 54.668 54.840 -0.059 0.000 0.880 463 L CB -0.706 41.378 42.059 0.041 0.000 1.033 463 L HN 0.238 nan 8.230 nan 0.000 0.450 464 N N -1.152 117.495 118.700 -0.088 0.000 2.747 464 N HA -0.233 4.527 4.740 0.033 0.000 0.249 464 N C -0.491 174.939 175.510 -0.133 0.000 1.107 464 N CA 0.838 53.826 53.050 -0.104 0.000 0.707 464 N CB -1.696 36.714 38.487 -0.129 0.000 1.054 464 N HN 0.299 nan 8.380 nan 0.000 0.555 465 Y N 0.925 121.209 120.300 -0.028 0.000 2.326 465 Y HA 0.160 4.730 4.550 0.033 0.000 0.333 465 Y C 1.884 177.804 175.900 0.033 0.000 1.240 465 Y CA 0.084 58.193 58.100 0.015 0.000 1.365 465 Y CB 0.530 38.992 38.460 0.003 0.000 1.289 465 Y HN 0.069 nan 8.280 nan 0.000 0.548 466 T N -2.194 112.506 114.554 0.244 0.000 2.860 466 T HA 0.043 4.413 4.350 0.033 0.000 0.299 466 T C 1.166 175.944 174.700 0.131 0.000 1.045 466 T CA -0.271 61.918 62.100 0.148 0.000 1.071 466 T CB 0.885 69.831 68.868 0.130 0.000 0.985 466 T HN 0.754 nan 8.240 nan 0.000 0.537 467 T N 1.785 116.386 114.554 0.079 0.000 2.665 467 T HA -0.152 4.218 4.350 0.033 0.000 0.268 467 T C 1.763 176.494 174.700 0.051 0.000 1.035 467 T CA 2.026 64.159 62.100 0.054 0.000 1.151 467 T CB -0.507 68.382 68.868 0.034 0.000 0.862 467 T HN 0.774 nan 8.240 nan 0.000 0.438 468 E N 1.136 121.363 120.200 0.046 0.000 2.070 468 E HA -0.138 4.232 4.350 0.033 0.000 0.197 468 E C 2.284 178.906 176.600 0.036 0.000 1.004 468 E CA 1.283 57.693 56.400 0.016 0.000 0.805 468 E CB -0.234 29.458 29.700 -0.013 0.000 0.744 468 E HN 0.624 nan 8.360 nan 0.000 0.451 469 E N -0.001 120.262 120.200 0.106 0.000 2.150 469 E HA -0.139 4.231 4.350 0.033 0.000 0.193 469 E C 2.117 178.819 176.600 0.169 0.000 0.985 469 E CA 0.420 56.950 56.400 0.216 0.000 0.814 469 E CB -0.047 29.927 29.700 0.456 0.000 0.752 469 E HN 0.058 nan 8.360 nan 0.000 0.466 470 R N 1.164 121.712 120.500 0.080 0.000 2.081 470 R HA -0.140 4.220 4.340 0.033 0.000 0.235 470 R C 2.128 178.427 176.300 -0.002 0.000 1.131 470 R CA 1.160 57.258 56.100 -0.003 0.000 0.960 470 R CB -0.254 30.046 30.300 -0.002 0.000 0.856 470 R HN 0.205 nan 8.270 nan 0.000 0.436 471 I N 0.161 120.749 120.570 0.030 0.000 2.202 471 I HA -0.258 3.932 4.170 0.033 0.000 0.242 471 I C 2.282 178.429 176.117 0.050 0.000 1.091 471 I CA 0.869 62.182 61.300 0.022 0.000 1.368 471 I CB -0.450 37.563 38.000 0.022 0.000 1.058 471 I HN 0.075 nan 8.210 nan 0.000 0.410 472 F N 2.182 122.067 119.950 -0.108 0.000 2.091 472 F HA -0.298 4.250 4.527 0.035 0.000 0.299 472 F C 2.477 178.225 175.800 -0.087 0.000 1.103 472 F CA 1.433 59.347 58.000 -0.142 0.000 1.228 472 F CB -0.714 38.121 39.000 -0.276 0.000 0.984 472 F HN 0.036 nan 8.300 nan 0.000 0.477 473 A N -0.274 122.477 122.820 -0.116 0.000 1.933 473 A HA -0.240 4.100 4.320 0.033 0.000 0.218 473 A C 2.163 179.611 177.584 -0.226 0.000 1.175 473 A CA 1.776 53.687 52.037 -0.209 0.000 0.628 473 A CB -0.854 18.055 19.000 -0.152 0.000 0.814 473 A HN 0.625 nan 8.150 nan 0.000 0.444 474 Q N -1.027 118.679 119.800 -0.157 0.000 2.167 474 Q HA -0.126 4.234 4.340 0.033 0.000 0.202 474 Q C 2.362 178.246 176.000 -0.195 0.000 0.970 474 Q CA 1.291 57.008 55.803 -0.142 0.000 0.855 474 Q CB -0.108 28.576 28.738 -0.088 0.000 0.911 474 Q HN 0.629 nan 8.270 nan 0.000 0.438 475 R N 0.127 120.483 120.500 -0.241 0.000 2.066 475 R HA -0.074 4.286 4.340 0.033 0.000 0.232 475 R C 2.244 178.212 176.300 -0.553 0.000 1.131 475 R CA 1.017 56.874 56.100 -0.405 0.000 0.955 475 R CB -0.132 29.983 30.300 -0.308 0.000 0.851 475 R HN 0.219 nan 8.270 nan 0.000 0.432 476 L N -0.083 120.910 121.223 -0.383 0.000 2.056 476 L HA -0.153 4.207 4.340 0.033 0.000 0.207 476 L C 2.493 179.294 176.870 -0.116 0.000 1.078 476 L CA 1.197 55.920 54.840 -0.194 0.000 0.749 476 L CB -0.310 41.508 42.059 -0.402 0.000 0.901 476 L HN 0.229 nan 8.230 nan 0.000 0.433 477 M N -0.526 118.951 119.600 -0.204 0.000 2.149 477 M HA -0.237 4.263 4.480 0.033 0.000 0.261 477 M C 2.313 178.598 176.300 -0.026 0.000 1.064 477 M CA 1.772 56.992 55.300 -0.135 0.000 1.102 477 M CB -0.258 32.255 32.600 -0.145 0.000 1.369 477 M HN 0.111 nan 8.290 nan 0.000 0.408 478 K N -0.649 119.703 120.400 -0.081 0.000 2.057 478 K HA -0.144 4.196 4.320 0.033 0.000 0.206 478 K C 1.892 178.552 176.600 0.100 0.000 1.050 478 K CA 1.395 57.656 56.287 -0.043 0.000 0.935 478 K CB -0.241 32.177 32.500 -0.136 0.000 0.715 478 K HN 0.282 nan 8.250 nan 0.000 0.439 479 Y N 0.046 120.475 120.300 0.215 0.000 2.128 479 Y HA -0.238 4.331 4.550 0.033 0.000 0.284 479 Y C 2.298 178.350 175.900 0.253 0.000 1.154 479 Y CA 0.769 59.037 58.100 0.279 0.000 1.149 479 Y CB -0.850 37.922 38.460 0.519 0.000 0.976 479 Y HN 0.224 nan 8.280 nan 0.000 0.505 480 W N 0.485 121.857 121.300 0.119 0.000 2.379 480 W HA -0.212 4.467 4.660 0.033 0.000 0.307 480 W C 2.500 179.030 176.519 0.019 0.000 1.200 480 W CA 2.124 59.488 57.345 0.032 0.000 1.297 480 W CB -0.609 28.796 29.460 -0.091 0.000 1.140 480 W HN 0.224 nan 8.180 nan 0.000 0.507 481 T N -2.245 112.420 114.554 0.185 0.000 2.942 481 T HA -0.122 4.248 4.350 0.033 0.000 0.265 481 T C 1.420 176.147 174.700 0.045 0.000 1.062 481 T CA 1.131 63.269 62.100 0.062 0.000 1.139 481 T CB -0.578 68.302 68.868 0.020 0.000 0.883 481 T HN -0.109 nan 8.240 nan 0.000 0.468 482 N N 1.082 119.828 118.700 0.076 0.000 2.104 482 N HA -0.030 4.730 4.740 0.033 0.000 0.190 482 N C 1.321 176.838 175.510 0.013 0.000 1.024 482 N CA 1.141 54.219 53.050 0.046 0.000 0.853 482 N CB -0.715 37.822 38.487 0.084 0.000 1.008 482 N HN 0.512 nan 8.380 nan 0.000 0.424 483 F N 1.295 121.169 119.950 -0.127 0.000 2.171 483 F HA -0.035 4.513 4.527 0.034 0.000 0.300 483 F C 2.096 177.818 175.800 -0.130 0.000 1.090 483 F CA 1.291 59.166 58.000 -0.208 0.000 1.293 483 F CB -0.422 38.368 39.000 -0.350 0.000 1.013 483 F HN 0.036 nan 8.300 nan 0.000 0.486 484 A N 0.519 123.251 122.820 -0.145 0.000 1.902 484 A HA -0.176 4.164 4.320 0.033 0.000 0.217 484 A C 2.371 179.834 177.584 -0.201 0.000 1.181 484 A CA 1.665 53.582 52.037 -0.200 0.000 0.623 484 A CB -0.774 18.186 19.000 -0.067 0.000 0.818 484 A HN 0.438 nan 8.150 nan 0.000 0.443 485 R N -1.123 119.297 120.500 -0.133 0.000 2.092 485 R HA -0.094 4.266 4.340 0.033 0.000 0.231 485 R C 1.685 177.903 176.300 -0.137 0.000 1.119 485 R CA 1.862 57.899 56.100 -0.106 0.000 0.970 485 R CB -0.075 30.190 30.300 -0.058 0.000 0.864 485 R HN 0.733 nan 8.270 nan 0.000 0.440 486 T N -6.223 108.223 114.554 -0.179 0.000 3.041 486 T HA 0.231 4.601 4.350 0.033 0.000 0.276 486 T C 1.012 175.593 174.700 -0.199 0.000 0.948 486 T CA 0.292 62.302 62.100 -0.149 0.000 0.885 486 T CB 1.351 70.169 68.868 -0.085 0.000 1.175 486 T HN 0.279 nan 8.240 nan 0.000 0.529 487 G N 1.448 110.002 108.800 -0.410 0.000 2.153 487 G HA2 -0.180 3.800 3.960 0.033 0.000 0.252 487 G HA3 -0.180 3.800 3.960 0.033 0.000 0.252 487 G C -0.359 174.486 174.900 -0.092 0.000 0.994 487 G CA 0.277 45.078 45.100 -0.499 0.000 0.698 487 G HN 0.786 nan 8.290 nan 0.000 0.521 488 D N -0.737 119.603 120.400 -0.101 0.000 2.736 488 D HA 0.409 5.069 4.640 0.033 0.000 0.243 488 D C -1.429 174.724 176.300 -0.246 0.000 1.304 488 D CA -1.511 52.374 54.000 -0.190 0.000 0.934 488 D CB 2.001 42.768 40.800 -0.055 0.000 1.382 488 D HN 0.010 nan 8.370 nan 0.000 0.571 489 P HA -0.038 nan 4.420 nan 0.000 0.233 489 P C 0.091 177.394 177.300 0.004 0.000 1.167 489 P CA 0.081 63.007 63.100 -0.290 0.000 0.770 489 P CB 0.432 31.651 31.700 -0.803 0.000 0.837 490 N N 1.446 120.109 118.700 -0.062 0.000 2.508 490 N HA 0.008 4.768 4.740 0.033 0.000 0.264 490 N C 0.105 175.680 175.510 0.110 0.000 1.216 490 N CA 0.309 53.424 53.050 0.109 0.000 0.943 490 N CB 0.508 39.048 38.487 0.089 0.000 1.113 490 N HN 0.040 nan 8.380 nan 0.000 0.447 491 D N 2.456 122.942 120.400 0.145 0.000 2.359 491 D HA 0.050 4.711 4.640 0.033 0.000 0.250 491 D C -1.204 175.137 176.300 0.069 0.000 1.264 491 D CA -1.281 52.778 54.000 0.097 0.000 0.911 491 D CB 1.059 41.917 40.800 0.097 0.000 1.056 491 D HN 0.335 nan 8.370 nan 0.000 0.499 492 P HA -0.117 nan 4.420 nan 0.000 0.223 492 P C 1.025 178.346 177.300 0.035 0.000 1.151 492 P CA 0.900 64.022 63.100 0.038 0.000 0.787 492 P CB 0.380 32.094 31.700 0.023 0.000 0.788 493 R N 0.077 120.597 120.500 0.034 0.000 2.279 493 R HA 0.121 4.481 4.340 0.033 0.000 0.195 493 R C 0.758 177.078 176.300 0.033 0.000 0.905 493 R CA 0.545 56.663 56.100 0.029 0.000 1.044 493 R CB -1.344 28.970 30.300 0.023 0.000 1.056 493 R HN 0.267 nan 8.270 nan 0.000 0.535 494 D N -0.289 120.135 120.400 0.040 0.000 2.350 494 D HA 0.186 4.846 4.640 0.033 0.000 0.249 494 D C 0.881 177.212 176.300 0.051 0.000 1.119 494 D CA 0.575 54.602 54.000 0.044 0.000 0.886 494 D CB 1.584 42.412 40.800 0.048 0.000 1.195 494 D HN 0.198 nan 8.370 nan 0.000 0.437 495 S N 3.379 119.107 115.700 0.046 0.000 2.184 495 S HA 0.044 4.534 4.470 0.033 0.000 0.159 495 S C 0.105 174.739 174.600 0.057 0.000 1.364 495 S CA -0.257 57.972 58.200 0.048 0.000 2.236 495 S CB -0.237 62.987 63.200 0.039 0.000 0.365 495 S HN 0.636 nan 8.310 nan 0.000 0.359 496 K N 0.805 121.235 120.400 0.050 0.000 2.508 496 K HA -0.118 4.222 4.320 0.033 0.000 0.262 496 K C 0.007 176.647 176.600 0.067 0.000 1.016 496 K CA 1.034 57.353 56.287 0.052 0.000 1.122 496 K CB -0.300 32.225 32.500 0.041 0.000 0.778 496 K HN 0.568 nan 8.250 nan 0.000 0.469 497 S N 4.098 119.842 115.700 0.074 0.000 3.420 497 S HA 0.295 4.785 4.470 0.033 0.000 0.173 497 S C -2.292 172.363 174.600 0.090 0.000 0.800 497 S CA -0.530 57.729 58.200 0.099 0.000 0.963 497 S CB -0.584 62.687 63.200 0.118 0.000 1.236 497 S HN 0.621 nan 8.310 nan 0.000 0.827 498 P HA 0.306 nan 4.420 nan 0.000 0.271 498 P C -0.787 176.579 177.300 0.109 0.000 1.233 498 P CA -0.199 62.946 63.100 0.075 0.000 0.789 498 P CB 0.226 31.953 31.700 0.046 0.000 0.951 499 Q N -0.039 119.834 119.800 0.122 0.000 2.293 499 Q HA 0.097 4.457 4.340 0.033 0.000 0.251 499 Q C -0.573 175.571 176.000 0.240 0.000 0.930 499 Q CA -0.049 55.862 55.803 0.179 0.000 0.893 499 Q CB 0.681 29.516 28.738 0.162 0.000 1.215 499 Q HN 0.542 nan 8.270 nan 0.000 0.425 500 W N 6.716 128.053 121.300 0.062 0.000 2.585 500 W HA 0.216 4.898 4.660 0.036 0.000 0.337 500 W C -2.398 174.253 176.519 0.220 0.000 1.226 500 W CA -2.292 55.102 57.345 0.082 0.000 1.463 500 W CB 0.039 29.479 29.460 -0.035 0.000 1.458 500 W HN 0.391 nan 8.180 nan 0.000 0.458 501 P HA 0.307 nan 4.420 nan 0.000 0.279 501 P C -2.643 174.872 177.300 0.359 0.000 1.252 501 P CA -1.798 61.531 63.100 0.381 0.000 0.811 501 P CB 0.795 32.626 31.700 0.219 0.000 1.035 502 P HA 0.133 nan 4.420 nan 0.000 0.272 502 P C -0.652 176.635 177.300 -0.023 0.000 1.223 502 P CA -0.012 62.886 63.100 -0.335 0.000 0.784 502 P CB 0.113 31.564 31.700 -0.415 0.000 0.923 503 Y N 2.204 122.445 120.300 -0.098 0.000 2.359 503 Y HA 0.355 4.925 4.550 0.033 0.000 0.330 503 Y C 0.386 176.275 175.900 -0.019 0.000 1.143 503 Y CA 0.848 58.960 58.100 0.019 0.000 1.318 503 Y CB 0.370 38.859 38.460 0.047 0.000 1.234 503 Y HN 0.398 nan 8.280 nan 0.000 0.522 504 T N 0.098 114.373 114.554 -0.466 0.000 2.903 504 T HA 0.214 4.584 4.350 0.033 0.000 0.299 504 T C 0.772 175.224 174.700 -0.414 0.000 1.093 504 T CA -0.239 61.698 62.100 -0.271 0.000 1.002 504 T CB 1.227 70.003 68.868 -0.153 0.000 1.127 504 T HN 0.673 nan 8.240 nan 0.000 0.488 505 T N -0.337 114.122 114.554 -0.158 0.000 2.821 505 T HA -0.016 4.354 4.350 0.033 0.000 0.267 505 T C 2.241 176.882 174.700 -0.099 0.000 1.046 505 T CA 1.180 63.224 62.100 -0.093 0.000 1.139 505 T CB -0.862 68.013 68.868 0.012 0.000 0.871 505 T HN 0.908 nan 8.240 nan 0.000 0.454 506 A N 2.167 124.935 122.820 -0.086 0.000 1.834 506 A HA 0.341 4.681 4.320 0.033 0.000 0.216 506 A C 2.777 180.316 177.584 -0.076 0.000 1.203 506 A CA 2.131 54.132 52.037 -0.059 0.000 0.621 506 A CB -1.432 17.543 19.000 -0.042 0.000 0.841 506 A HN 0.851 nan 8.150 nan 0.000 0.446 507 A N -2.329 120.424 122.820 -0.111 0.000 2.147 507 A HA 0.235 4.575 4.320 0.033 0.000 0.211 507 A C 1.016 178.530 177.584 -0.116 0.000 1.160 507 A CA 0.930 52.916 52.037 -0.085 0.000 0.781 507 A CB -0.338 18.625 19.000 -0.062 0.000 0.842 507 A HN 0.612 nan 8.150 nan 0.000 0.475 508 Q N -0.448 119.171 119.800 -0.302 0.000 2.435 508 Q HA -0.246 4.114 4.340 0.033 0.000 0.286 508 Q C -0.453 175.538 176.000 -0.015 0.000 1.229 508 Q CA 0.741 56.285 55.803 -0.432 0.000 0.884 508 Q CB -1.777 26.909 28.738 -0.087 0.000 1.245 508 Q HN 0.826 nan 8.270 nan 0.000 0.488 509 Q N 0.326 120.120 119.800 -0.011 0.000 2.332 509 Q HA 0.371 4.731 4.340 0.033 0.000 0.263 509 Q C -0.411 175.859 176.000 0.450 0.000 0.979 509 Q CA 0.250 56.157 55.803 0.174 0.000 0.885 509 Q CB 0.446 29.239 28.738 0.092 0.000 1.218 509 Q HN 0.332 nan 8.270 nan 0.000 0.405 510 Y N -1.291 119.140 120.300 0.218 0.000 2.670 510 Y HA 0.701 5.271 4.550 0.032 0.000 0.334 510 Y C -1.237 174.677 175.900 0.023 0.000 1.185 510 Y CA -1.514 56.721 58.100 0.226 0.000 1.053 510 Y CB 0.481 39.089 38.460 0.245 0.000 1.298 510 Y HN 0.320 nan 8.280 nan 0.000 0.459 511 V N -0.320 119.515 119.914 -0.132 0.000 2.815 511 V HA 0.866 5.006 4.120 0.033 0.000 0.314 511 V C -0.215 175.794 176.094 -0.143 0.000 1.064 511 V CA -0.492 61.581 62.300 -0.378 0.000 0.952 511 V CB 1.306 32.660 31.823 -0.781 0.000 1.020 511 V HN 1.248 nan 8.190 nan 0.000 0.439 512 S N 3.604 119.219 115.700 -0.142 0.000 2.499 512 S HA 0.725 5.215 4.470 0.033 0.000 0.279 512 S C -0.527 174.040 174.600 -0.055 0.000 1.219 512 S CA -0.682 57.510 58.200 -0.013 0.000 1.062 512 S CB 0.618 63.807 63.200 -0.018 0.000 0.978 512 S HN 0.775 nan 8.310 nan 0.000 0.489 513 L N 4.180 125.413 121.223 0.017 0.000 2.262 513 L HA 0.536 4.896 4.340 0.033 0.000 0.288 513 L C -0.105 176.681 176.870 -0.140 0.000 1.035 513 L CA -0.475 54.397 54.840 0.052 0.000 0.820 513 L CB 0.138 42.311 42.059 0.189 0.000 1.204 513 L HN 0.914 nan 8.230 nan 0.000 0.424 514 N N 2.278 120.828 118.700 -0.250 0.000 3.506 514 N HA 0.411 5.171 4.740 0.033 0.000 0.331 514 N C 0.261 175.189 175.510 -0.969 0.000 1.631 514 N CA -0.968 51.658 53.050 -0.705 0.000 0.786 514 N CB 0.617 38.877 38.487 -0.379 0.000 2.023 514 N HN 0.208 nan 8.380 nan 0.000 0.621 515 L N -0.707 120.014 121.223 -0.837 0.000 2.217 515 L HA 0.117 4.477 4.340 0.033 0.000 0.211 515 L C 0.564 177.262 176.870 -0.287 0.000 1.107 515 L CA 0.900 55.364 54.840 -0.627 0.000 0.783 515 L CB -0.464 41.326 42.059 -0.449 0.000 0.919 515 L HN 0.356 nan 8.230 nan 0.000 0.442 516 K N 0.459 120.730 120.400 -0.216 0.000 2.219 516 K HA 0.198 4.538 4.320 0.033 0.000 0.258 516 K C -2.180 174.380 176.600 -0.066 0.000 1.008 516 K CA -1.757 54.463 56.287 -0.112 0.000 0.928 516 K CB -0.127 32.317 32.500 -0.093 0.000 0.983 516 K HN -0.172 nan 8.250 nan 0.000 0.484 517 P HA 0.031 nan 4.420 nan 0.000 0.272 517 P C -0.327 176.977 177.300 0.006 0.000 1.230 517 P CA -0.314 62.798 63.100 0.021 0.000 0.788 517 P CB 0.388 32.102 31.700 0.023 0.000 0.949 518 L N 1.062 122.304 121.223 0.032 0.000 2.628 518 L HA -0.095 4.265 4.340 0.033 0.000 0.292 518 L C 1.107 177.937 176.870 -0.067 0.000 1.250 518 L CA 0.984 55.798 54.840 -0.045 0.000 0.892 518 L CB -0.269 41.752 42.059 -0.064 0.000 1.138 518 L HN 0.515 nan 8.230 nan 0.000 0.502 519 E N 2.972 123.104 120.200 -0.112 0.000 2.210 519 E HA 0.407 4.777 4.350 0.033 0.000 0.266 519 E C -1.452 175.045 176.600 -0.171 0.000 0.883 519 E CA -0.799 55.536 56.400 -0.109 0.000 0.761 519 E CB 2.002 31.647 29.700 -0.092 0.000 1.156 519 E HN 0.301 nan 8.360 nan 0.000 0.412 520 V N 5.226 125.052 119.914 -0.147 0.000 2.406 520 V HA 0.392 4.532 4.120 0.033 0.000 0.272 520 V C 0.344 176.301 176.094 -0.228 0.000 1.043 520 V CA -0.275 61.916 62.300 -0.182 0.000 0.915 520 V CB 0.811 32.585 31.823 -0.082 0.000 0.988 520 V HN 0.671 nan 8.190 nan 0.000 0.466 521 R N 3.907 124.145 120.500 -0.436 0.000 2.856 521 R HA 0.763 5.123 4.340 0.033 0.000 0.258 521 R C -0.666 175.439 176.300 -0.325 0.000 1.066 521 R CA -1.039 54.797 56.100 -0.440 0.000 1.045 521 R CB 2.120 32.032 30.300 -0.647 0.000 1.178 521 R HN 0.560 nan 8.270 nan 0.000 0.499 522 R N -0.169 120.307 120.500 -0.040 0.000 2.513 522 R HA 0.428 4.788 4.340 0.033 0.000 0.301 522 R C -0.973 175.504 176.300 0.295 0.000 0.968 522 R CA -0.360 55.822 56.100 0.137 0.000 0.872 522 R CB 2.220 32.557 30.300 0.062 0.000 1.177 522 R HN 0.908 nan 8.270 nan 0.000 0.444 523 G N 2.925 111.955 108.800 0.384 0.000 3.405 523 G HA2 -0.219 3.761 3.960 0.033 0.000 0.676 523 G HA3 -0.219 3.761 3.960 0.033 0.000 0.676 523 G C -0.666 174.414 174.900 0.300 0.000 1.039 523 G CA -0.875 44.402 45.100 0.295 0.000 0.855 523 G HN 0.570 nan 8.290 nan 0.000 0.443 524 L N 3.421 124.713 121.223 0.116 0.000 2.401 524 L HA 0.415 4.775 4.340 0.033 0.000 0.283 524 L C 1.554 178.421 176.870 -0.004 0.000 1.151 524 L CA -0.420 54.304 54.840 -0.193 0.000 0.942 524 L CB 0.019 41.869 42.059 -0.348 0.000 1.283 524 L HN 0.825 nan 8.230 nan 0.000 0.442 525 R N 2.602 123.143 120.500 0.068 0.000 3.333 525 R HA -0.287 4.073 4.340 0.033 0.000 0.256 525 R C 1.283 177.670 176.300 0.144 0.000 1.010 525 R CA 0.418 56.591 56.100 0.122 0.000 0.680 525 R CB -0.953 29.420 30.300 0.122 0.000 1.102 525 R HN 0.837 nan 8.270 nan 0.000 0.440 526 A N 0.393 123.298 122.820 0.141 0.000 1.865 526 A HA -0.254 4.086 4.320 0.033 0.000 0.217 526 A C 1.841 179.511 177.584 0.144 0.000 1.191 526 A CA 1.440 53.560 52.037 0.139 0.000 0.623 526 A CB -0.217 18.859 19.000 0.128 0.000 0.826 526 A HN 0.550 nan 8.150 nan 0.000 0.444 527 Q N -0.639 119.244 119.800 0.137 0.000 2.050 527 Q HA -0.129 4.231 4.340 0.033 0.000 0.202 527 Q C 2.254 178.371 176.000 0.194 0.000 0.980 527 Q CA 2.109 57.997 55.803 0.142 0.000 0.840 527 Q CB -1.166 27.641 28.738 0.115 0.000 0.898 527 Q HN 0.668 nan 8.270 nan 0.000 0.424 528 T N 0.627 115.316 114.554 0.225 0.000 2.788 528 T HA -0.120 4.250 4.350 0.033 0.000 0.268 528 T C 2.057 176.978 174.700 0.370 0.000 1.044 528 T CA 1.184 63.457 62.100 0.288 0.000 1.139 528 T CB -0.252 68.806 68.868 0.318 0.000 0.867 528 T HN 0.321 nan 8.240 nan 0.000 0.454 529 c N 1.477 120.268 118.600 0.318 0.000 2.464 529 c HA 0.271 4.861 4.570 0.033 0.000 0.278 529 c C 3.156 177.402 174.090 0.261 0.000 1.375 529 c CA -0.044 56.481 56.329 0.327 0.000 1.761 529 c CB -1.357 41.279 42.510 0.210 0.000 1.944 529 c HN 0.642 nan 8.230 nan 0.000 0.509 530 A N 0.306 123.246 122.820 0.199 0.000 1.940 530 A HA -0.220 4.120 4.320 0.033 0.000 0.219 530 A C 1.879 179.551 177.584 0.146 0.000 1.176 530 A CA 1.716 53.845 52.037 0.153 0.000 0.631 530 A CB -0.824 18.251 19.000 0.125 0.000 0.814 530 A HN 0.557 nan 8.150 nan 0.000 0.446 531 F N -0.967 118.961 119.950 -0.038 0.000 2.069 531 F HA -0.195 4.354 4.527 0.037 0.000 0.298 531 F C 1.968 177.704 175.800 -0.107 0.000 1.113 531 F CA 1.918 59.796 58.000 -0.202 0.000 1.214 531 F CB -0.485 38.106 39.000 -0.682 0.000 0.978 531 F HN 0.387 nan 8.300 nan 0.000 0.474 532 W N 0.366 121.694 121.300 0.046 0.000 2.453 532 W HA -0.084 4.595 4.660 0.032 0.000 0.289 532 W C 2.114 178.610 176.519 -0.040 0.000 1.215 532 W CA 0.817 58.155 57.345 -0.011 0.000 1.297 532 W CB -0.376 29.185 29.460 0.169 0.000 1.113 532 W HN -0.050 nan 8.180 nan 0.000 0.551 533 N N -0.535 118.297 118.700 0.220 0.000 2.409 533 N HA 0.041 4.801 4.740 0.033 0.000 0.174 533 N C 1.463 177.009 175.510 0.061 0.000 1.037 533 N CA 0.857 53.983 53.050 0.126 0.000 0.898 533 N CB -0.143 38.413 38.487 0.115 0.000 1.010 533 N HN 0.217 nan 8.380 nan 0.000 0.445 534 R N -1.684 118.847 120.500 0.051 0.000 2.342 534 R HA 0.238 4.599 4.340 0.033 0.000 0.204 534 R C 1.037 177.360 176.300 0.038 0.000 0.882 534 R CA -0.030 56.097 56.100 0.045 0.000 1.041 534 R CB 0.234 30.579 30.300 0.075 0.000 1.188 534 R HN 0.053 nan 8.270 nan 0.000 0.598 535 F N 0.965 120.801 119.950 -0.190 0.000 2.298 535 F HA 0.153 4.700 4.527 0.035 0.000 0.282 535 F C 1.837 177.446 175.800 -0.319 0.000 1.045 535 F CA 0.622 58.473 58.000 -0.247 0.000 1.280 535 F CB -0.226 38.602 39.000 -0.287 0.000 1.114 535 F HN -0.201 nan 8.300 nan 0.000 0.546 536 L N 0.938 121.840 121.223 -0.535 0.000 2.051 536 L HA -0.196 4.164 4.340 0.033 0.000 0.214 536 L C -0.558 176.104 176.870 -0.347 0.000 1.076 536 L CA 2.031 56.541 54.840 -0.550 0.000 0.758 536 L CB -2.042 39.696 42.059 -0.535 0.000 0.890 536 L HN 0.145 nan 8.230 nan 0.000 0.433 537 P HA -0.184 nan 4.420 nan 0.000 0.218 537 P C 1.247 178.432 177.300 -0.191 0.000 1.148 537 P CA 1.408 64.421 63.100 -0.146 0.000 0.822 537 P CB -0.028 31.623 31.700 -0.082 0.000 0.784 538 K N -1.480 118.754 120.400 -0.276 0.000 2.432 538 K HA -0.001 4.340 4.320 0.033 0.000 0.196 538 K C 1.480 177.875 176.600 -0.342 0.000 1.038 538 K CA 0.563 56.682 56.287 -0.279 0.000 0.986 538 K CB -0.309 32.025 32.500 -0.277 0.000 0.782 538 K HN 0.122 nan 8.250 nan 0.000 0.485 539 L N 0.505 121.468 121.223 -0.435 0.000 2.463 539 L HA 0.043 4.403 4.340 0.033 0.000 0.219 539 L C 1.669 178.412 176.870 -0.212 0.000 1.088 539 L CA 0.627 55.244 54.840 -0.370 0.000 0.849 539 L CB -0.053 41.715 42.059 -0.485 0.000 1.012 539 L HN 0.049 nan 8.230 nan 0.000 0.468 540 L N -0.573 120.541 121.223 -0.181 0.000 1.993 540 L HA 0.011 4.371 4.340 0.033 0.000 0.206 540 L C 1.668 178.481 176.870 -0.095 0.000 1.074 540 L CA 1.868 56.641 54.840 -0.112 0.000 0.746 540 L CB -0.817 41.191 42.059 -0.084 0.000 0.896 540 L HN 0.308 nan 8.230 nan 0.000 0.435 541 S N -0.880 114.762 115.700 -0.097 0.000 3.513 541 S HA 0.676 5.166 4.470 0.033 0.000 0.209 541 S C 0.364 174.916 174.600 -0.081 0.000 1.446 541 S CA -0.021 58.133 58.200 -0.076 0.000 1.150 541 S CB 0.127 63.289 63.200 -0.063 0.000 1.266 541 S HN 0.697 nan 8.310 nan 0.000 0.502 542 A N 1.153 123.922 122.820 -0.085 0.000 1.784 542 A HA 0.394 4.734 4.320 0.033 0.000 0.185 542 A C 0.603 178.148 177.584 -0.066 0.000 1.964 542 A CA 0.301 52.293 52.037 -0.075 0.000 1.540 542 A CB 0.111 19.056 19.000 -0.091 0.000 1.588 542 A HN 0.600 nan 8.150 nan 0.000 0.320 543 T N 0.000 114.508 114.554 -0.077 0.000 3.816 543 T HA 0.000 4.370 4.350 0.033 0.000 0.228 543 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 543 T CB 0.000 68.837 68.868 -0.053 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658