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 1q83_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 LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLL 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 0.000 176.624 176.600 0.041 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 D N 3.767 124.200 120.400 0.054 0.000 2.473 5 D HA 0.347 5.007 4.640 0.034 0.000 0.253 5 D C -1.894 174.445 176.300 0.065 0.000 1.233 5 D CA -2.136 51.906 54.000 0.071 0.000 0.908 5 D CB 1.821 42.685 40.800 0.107 0.000 1.170 5 D HN 0.151 nan 8.370 nan 0.000 0.558 6 P HA -0.191 nan 4.420 nan 0.000 0.216 6 P C 1.151 178.465 177.300 0.024 0.000 1.150 6 P CA 0.965 64.079 63.100 0.024 0.000 0.843 6 P CB 0.474 32.175 31.700 0.002 0.000 0.787 7 Q N -0.833 118.967 119.800 -0.000 0.000 2.364 7 Q HA -0.004 4.356 4.340 0.034 0.000 0.209 7 Q C 1.969 178.049 176.000 0.134 0.000 0.977 7 Q CA 0.881 56.667 55.803 -0.029 0.000 0.885 7 Q CB -0.310 28.251 28.738 -0.294 0.000 0.941 7 Q HN 0.434 nan 8.270 nan 0.000 0.464 8 L N -0.437 120.887 121.223 0.168 0.000 2.693 8 L HA 0.228 4.588 4.340 0.034 0.000 0.235 8 L C 0.314 177.373 176.870 0.316 0.000 1.127 8 L CA -0.118 54.872 54.840 0.250 0.000 0.914 8 L CB 0.420 42.551 42.059 0.120 0.000 1.193 8 L HN -0.009 nan 8.230 nan 0.000 0.502 9 L N 1.066 122.401 121.223 0.187 0.000 2.272 9 L HA 0.472 4.832 4.340 0.034 0.000 0.289 9 L C -0.765 176.124 176.870 0.031 0.000 1.032 9 L CA -0.400 54.517 54.840 0.128 0.000 0.810 9 L CB 1.854 43.956 42.059 0.072 0.000 1.205 9 L HN -0.209 nan 8.230 nan 0.000 0.422 10 V N 3.541 123.433 119.914 -0.036 0.000 2.789 10 V HA 0.468 4.608 4.120 0.034 0.000 0.311 10 V C -0.322 175.679 176.094 -0.155 0.000 1.073 10 V CA -0.842 61.303 62.300 -0.258 0.000 0.921 10 V CB 2.224 33.604 31.823 -0.737 0.000 1.009 10 V HN 0.699 nan 8.190 nan 0.000 0.426 11 R N 3.202 123.597 120.500 -0.176 0.000 2.215 11 R HA 0.686 5.046 4.340 0.034 0.000 0.336 11 R C -0.538 175.670 176.300 -0.152 0.000 0.996 11 R CA -0.337 55.698 56.100 -0.109 0.000 0.847 11 R CB 1.332 31.574 30.300 -0.096 0.000 1.127 11 R HN 0.748 nan 8.270 nan 0.000 0.465 12 V N 1.851 121.726 119.914 -0.064 0.000 3.336 12 V HA 0.415 4.555 4.120 0.034 0.000 0.314 12 V C 1.264 177.290 176.094 -0.113 0.000 1.088 12 V CA -0.708 61.557 62.300 -0.059 0.000 1.033 12 V CB 1.556 33.486 31.823 0.179 0.000 1.181 12 V HN 0.828 nan 8.190 nan 0.000 0.449 13 R N 0.981 121.398 120.500 -0.139 0.000 2.120 13 R HA -0.041 4.319 4.340 0.034 0.000 0.234 13 R C 2.045 178.192 176.300 -0.255 0.000 1.123 13 R CA 1.566 57.567 56.100 -0.164 0.000 0.975 13 R CB -0.739 29.482 30.300 -0.132 0.000 0.866 13 R HN 0.995 nan 8.270 nan 0.000 0.446 14 G N -0.453 108.125 108.800 -0.370 0.000 2.744 14 G HA2 0.233 4.213 3.960 0.034 0.000 0.211 14 G HA3 0.233 4.213 3.960 0.034 0.000 0.211 14 G C 0.495 174.445 174.900 -1.584 0.000 1.143 14 G CA 0.598 45.151 45.100 -0.911 0.000 0.788 14 G HN 0.588 nan 8.290 nan 0.000 0.534 15 G N -1.039 107.189 108.800 -0.953 0.000 2.250 15 G HA2 0.017 3.998 3.960 0.034 0.000 0.252 15 G HA3 0.017 3.998 3.960 0.034 0.000 0.252 15 G C -1.012 173.858 174.900 -0.050 0.000 1.325 15 G CA -0.851 43.860 45.100 -0.649 0.000 1.091 15 G HN 0.301 nan 8.290 nan 0.000 0.476 16 Q N -0.249 119.698 119.800 0.245 0.000 2.222 16 Q HA 0.711 5.072 4.340 0.034 0.000 0.252 16 Q C -0.514 175.770 176.000 0.473 0.000 0.926 16 Q CA -0.361 55.623 55.803 0.302 0.000 0.899 16 Q CB 1.980 30.828 28.738 0.183 0.000 1.250 16 Q HN 0.485 nan 8.270 nan 0.000 0.441 17 L N 1.208 122.617 121.223 0.310 0.000 2.381 17 L HA 0.613 4.974 4.340 0.034 0.000 0.268 17 L C -0.400 176.624 176.870 0.256 0.000 0.997 17 L CA -0.808 54.207 54.840 0.291 0.000 0.818 17 L CB 2.259 44.523 42.059 0.342 0.000 1.310 17 L HN 0.421 nan 8.230 nan 0.000 0.416 18 R N 0.784 121.416 120.500 0.220 0.000 2.393 18 R HA 0.633 4.994 4.340 0.034 0.000 0.315 18 R C -0.270 176.132 176.300 0.170 0.000 0.952 18 R CA -0.282 55.934 56.100 0.194 0.000 0.842 18 R CB 1.795 32.154 30.300 0.098 0.000 1.163 18 R HN 0.861 nan 8.270 nan 0.000 0.450 19 G N 3.286 112.176 108.800 0.150 0.000 2.606 19 G HA2 0.478 4.458 3.960 0.034 0.000 0.262 19 G HA3 0.478 4.458 3.960 0.034 0.000 0.262 19 G C -0.928 173.826 174.900 -0.243 0.000 1.394 19 G CA -0.638 44.306 45.100 -0.261 0.000 1.044 19 G HN 0.583 nan 8.290 nan 0.000 0.553 20 I N -1.038 119.317 120.570 -0.359 0.000 2.619 20 I HA 0.510 4.700 4.170 0.034 0.000 0.292 20 I C -0.224 175.765 176.117 -0.212 0.000 1.100 20 I CA -1.073 60.092 61.300 -0.226 0.000 1.043 20 I CB 2.159 40.031 38.000 -0.214 0.000 1.239 20 I HN 0.449 nan 8.210 nan 0.000 0.420 21 R N 7.371 127.785 120.500 -0.142 0.000 2.316 21 R HA 0.515 4.875 4.340 0.034 0.000 0.314 21 R C -1.546 174.653 176.300 -0.169 0.000 1.069 21 R CA -0.180 55.818 56.100 -0.171 0.000 0.959 21 R CB 0.486 30.629 30.300 -0.262 0.000 0.987 21 R HN 0.636 nan 8.270 nan 0.000 0.446 22 L N 3.688 124.826 121.223 -0.143 0.000 2.322 22 L HA 0.457 4.817 4.340 0.034 0.000 0.269 22 L C -0.217 176.582 176.870 -0.117 0.000 1.012 22 L CA -0.962 53.810 54.840 -0.112 0.000 0.815 22 L CB 1.871 43.893 42.059 -0.062 0.000 1.295 22 L HN 0.544 nan 8.230 nan 0.000 0.438 23 K N 1.780 122.117 120.400 -0.105 0.000 2.234 23 K HA 0.698 5.038 4.320 0.034 0.000 0.277 23 K C -0.888 175.651 176.600 -0.101 0.000 1.038 23 K CA -0.330 55.899 56.287 -0.097 0.000 0.888 23 K CB 1.511 33.965 32.500 -0.077 0.000 1.091 23 K HN 0.684 nan 8.250 nan 0.000 0.467 24 A N 5.105 127.868 122.820 -0.094 0.000 2.322 24 A HA 0.500 4.840 4.320 0.034 0.000 0.327 24 A C -2.024 175.563 177.584 0.004 0.000 1.134 24 A CA -1.846 50.133 52.037 -0.096 0.000 0.831 24 A CB 0.742 19.660 19.000 -0.135 0.000 1.288 24 A HN 0.694 nan 8.150 nan 0.000 0.472 25 P HA -0.135 nan 4.420 nan 0.000 0.216 25 P C 1.265 178.592 177.300 0.046 0.000 1.154 25 P CA 2.224 65.372 63.100 0.079 0.000 0.865 25 P CB 0.212 31.985 31.700 0.122 0.000 0.789 26 G N -2.524 106.306 108.800 0.049 0.000 3.088 26 G HA2 0.468 4.449 3.960 0.034 0.000 0.217 26 G HA3 0.468 4.449 3.960 0.034 0.000 0.217 26 G C 0.462 175.377 174.900 0.024 0.000 1.159 26 G CA 0.457 45.578 45.100 0.035 0.000 0.760 26 G HN 0.613 nan 8.290 nan 0.000 0.550 27 G N -0.448 108.359 108.800 0.012 0.000 2.337 27 G HA2 0.398 4.378 3.960 0.034 0.000 0.298 27 G HA3 0.398 4.378 3.960 0.034 0.000 0.298 27 G C -3.383 171.502 174.900 -0.026 0.000 1.335 27 G CA -0.760 44.340 45.100 -0.001 0.000 0.875 27 G HN 0.022 nan 8.290 nan 0.000 0.579 28 P HA 0.512 nan 4.420 nan 0.000 0.274 28 P C -0.056 177.242 177.300 -0.002 0.000 1.231 28 P CA -0.199 62.823 63.100 -0.129 0.000 0.790 28 P CB 1.616 33.089 31.700 -0.378 0.000 0.951 29 V N -1.642 118.274 119.914 0.003 0.000 3.007 29 V HA 0.631 4.771 4.120 0.034 0.000 0.311 29 V C -0.419 175.757 176.094 0.137 0.000 1.120 29 V CA -0.888 61.492 62.300 0.134 0.000 0.980 29 V CB 1.820 33.721 31.823 0.130 0.000 1.033 29 V HN 0.441 nan 8.190 nan 0.000 0.429 30 S N 1.963 117.794 115.700 0.218 0.000 2.525 30 S HA 0.856 5.346 4.470 0.034 0.000 0.278 30 S C 0.054 174.577 174.600 -0.128 0.000 1.234 30 S CA 0.040 58.280 58.200 0.067 0.000 1.058 30 S CB 1.261 64.584 63.200 0.205 0.000 0.983 30 S HN 1.619 nan 8.310 nan 0.000 0.495 31 A N 2.688 125.218 122.820 -0.482 0.000 2.343 31 A HA 0.778 5.118 4.320 0.034 0.000 0.308 31 A C -1.204 175.862 177.584 -0.863 0.000 1.092 31 A CA -0.668 50.997 52.037 -0.620 0.000 0.751 31 A CB 0.455 19.117 19.000 -0.563 0.000 1.203 31 A HN 0.685 nan 8.150 nan 0.000 0.452 32 F N 3.013 122.799 119.950 -0.273 0.000 2.359 32 F HA 0.492 5.039 4.527 0.034 0.000 0.369 32 F C -0.189 175.430 175.800 -0.302 0.000 1.084 32 F CA -0.347 57.565 58.000 -0.148 0.000 1.096 32 F CB 1.155 40.222 39.000 0.113 0.000 1.335 32 F HN 0.337 nan 8.300 nan 0.000 0.457 33 L N 2.045 123.117 121.223 -0.250 0.000 2.334 33 L HA 0.754 5.114 4.340 0.034 0.000 0.276 33 L C 0.890 177.660 176.870 -0.167 0.000 1.014 33 L CA -1.028 53.611 54.840 -0.335 0.000 0.815 33 L CB 1.764 43.421 42.059 -0.671 0.000 1.268 33 L HN 0.808 nan 8.230 nan 0.000 0.428 34 G N 2.782 111.543 108.800 -0.064 0.000 2.182 34 G HA2 -0.239 3.742 3.960 0.034 0.000 0.248 34 G HA3 -0.239 3.742 3.960 0.034 0.000 0.248 34 G C -0.131 174.795 174.900 0.043 0.000 1.042 34 G CA -0.410 44.651 45.100 -0.065 0.000 0.775 34 G HN 0.470 nan 8.290 nan 0.000 0.501 35 I N 2.304 122.921 120.570 0.079 0.000 2.416 35 I HA 0.235 4.425 4.170 0.034 0.000 0.288 35 I C -1.470 174.711 176.117 0.106 0.000 1.051 35 I CA -2.107 59.218 61.300 0.043 0.000 1.375 35 I CB 1.072 39.034 38.000 -0.064 0.000 1.407 35 I HN -0.038 nan 8.210 nan 0.000 0.516 36 P HA 0.043 nan 4.420 nan 0.000 0.276 36 P C -0.215 177.008 177.300 -0.128 0.000 1.235 36 P CA -0.013 62.950 63.100 -0.228 0.000 0.772 36 P CB 0.480 32.066 31.700 -0.191 0.000 0.871 37 F N 1.231 121.011 119.950 -0.285 0.000 2.682 37 F HA 0.725 5.272 4.527 0.034 0.000 0.308 37 F C 0.055 175.841 175.800 -0.025 0.000 1.093 37 F CA -0.777 57.127 58.000 -0.160 0.000 1.244 37 F CB 0.229 39.047 39.000 -0.303 0.000 1.052 37 F HN 0.329 nan 8.300 nan 0.000 0.573 38 A N 0.063 122.587 122.820 -0.492 0.000 2.606 38 A HA 0.555 4.895 4.320 0.034 0.000 0.293 38 A C -0.900 176.517 177.584 -0.278 0.000 1.082 38 A CA -0.820 51.025 52.037 -0.320 0.000 0.685 38 A CB 0.936 19.664 19.000 -0.453 0.000 1.284 38 A HN 0.068 nan 8.150 nan 0.000 0.408 39 E N 1.406 121.526 120.200 -0.133 0.000 2.415 39 E HA 0.202 4.572 4.350 0.034 0.000 0.263 39 E C -2.297 174.209 176.600 -0.156 0.000 0.995 39 E CA -1.263 55.075 56.400 -0.103 0.000 0.915 39 E CB -0.064 29.614 29.700 -0.037 0.000 0.951 39 E HN 0.226 nan 8.360 nan 0.000 0.449 40 P HA -0.030 nan 4.420 nan 0.000 0.256 40 P C -2.228 175.009 177.300 -0.105 0.000 1.173 40 P CA -0.564 62.451 63.100 -0.141 0.000 0.768 40 P CB -0.102 31.551 31.700 -0.078 0.000 0.758 41 P HA 0.032 nan 4.420 nan 0.000 0.220 41 P C -0.446 176.799 177.300 -0.091 0.000 1.806 41 P CA 0.039 63.087 63.100 -0.087 0.000 0.976 41 P CB -0.028 31.624 31.700 -0.080 0.000 1.952 42 V N -2.246 117.620 119.914 -0.080 0.000 3.019 42 V HA 0.917 5.058 4.120 0.034 0.000 0.317 42 V C 0.875 176.929 176.094 -0.067 0.000 1.094 42 V CA 0.076 62.326 62.300 -0.082 0.000 1.000 42 V CB 0.999 32.782 31.823 -0.067 0.000 1.060 42 V HN 0.574 nan 8.190 nan 0.000 0.443 43 G N 2.538 111.298 108.800 -0.068 0.000 2.565 43 G HA2 -0.347 3.633 3.960 0.034 0.000 0.295 43 G HA3 -0.347 3.633 3.960 0.034 0.000 0.295 43 G C 1.319 176.192 174.900 -0.045 0.000 1.165 43 G CA 1.562 46.634 45.100 -0.046 0.000 0.977 43 G HN 2.402 nan 8.290 nan 0.000 0.546 44 S N 0.440 116.127 115.700 -0.022 0.000 2.507 44 S HA -0.008 4.483 4.470 0.034 0.000 0.235 44 S C 1.951 176.545 174.600 -0.010 0.000 0.988 44 S CA 1.834 60.031 58.200 -0.005 0.000 0.944 44 S CB -0.091 63.114 63.200 0.008 0.000 0.762 44 S HN 0.596 nan 8.310 nan 0.000 0.526 45 R N 1.240 121.721 120.500 -0.033 0.000 2.310 45 R HA 0.293 4.653 4.340 0.034 0.000 0.202 45 R C 0.687 176.942 176.300 -0.074 0.000 0.933 45 R CA -0.106 55.974 56.100 -0.033 0.000 1.054 45 R CB -0.869 29.410 30.300 -0.036 0.000 0.985 45 R HN 0.523 nan 8.270 nan 0.000 0.489 46 R N 0.668 121.075 120.500 -0.155 0.000 2.489 46 R HA -0.041 4.319 4.340 0.034 0.000 0.287 46 R C -0.251 175.820 176.300 -0.382 0.000 1.053 46 R CA 0.302 56.170 56.100 -0.386 0.000 1.036 46 R CB 0.079 30.013 30.300 -0.610 0.000 0.966 46 R HN 0.087 nan 8.270 nan 0.000 0.432 47 F N -0.498 119.469 119.950 0.027 0.000 2.656 47 F HA -0.269 4.278 4.527 0.034 0.000 0.381 47 F C -0.114 175.683 175.800 -0.006 0.000 0.603 47 F CA 0.391 58.385 58.000 -0.010 0.000 1.335 47 F CB -1.427 37.555 39.000 -0.030 0.000 1.836 47 F HN 0.444 nan 8.300 nan 0.000 0.290 48 M N 0.940 120.606 119.600 0.110 0.000 2.409 48 M HA 0.450 4.950 4.480 0.034 0.000 0.329 48 M C -1.932 174.404 176.300 0.059 0.000 1.180 48 M CA -2.049 53.300 55.300 0.083 0.000 1.053 48 M CB 0.513 33.148 32.600 0.057 0.000 1.586 48 M HN -0.359 nan 8.290 nan 0.000 0.461 49 P HA 0.083 nan 4.420 nan 0.000 0.266 49 P C -2.429 174.906 177.300 0.059 0.000 1.193 49 P CA -0.424 62.717 63.100 0.069 0.000 0.770 49 P CB -0.546 31.202 31.700 0.080 0.000 0.836 50 P HA 0.208 nan 4.420 nan 0.000 0.279 50 P C -0.601 176.739 177.300 0.066 0.000 1.239 50 P CA -0.006 63.127 63.100 0.053 0.000 0.789 50 P CB 0.915 32.669 31.700 0.090 0.000 0.933 51 E N 3.403 123.627 120.200 0.040 0.000 2.214 51 E HA 0.382 4.752 4.350 0.034 0.000 0.274 51 E C -2.194 174.446 176.600 0.067 0.000 0.977 51 E CA -2.252 54.181 56.400 0.055 0.000 0.827 51 E CB 0.249 29.972 29.700 0.039 0.000 1.130 51 E HN 0.370 nan 8.360 nan 0.000 0.394 52 P HA -0.047 nan 4.420 nan 0.000 0.267 52 P C -0.765 176.603 177.300 0.114 0.000 1.200 52 P CA -0.188 62.996 63.100 0.139 0.000 0.772 52 P CB 0.433 32.221 31.700 0.147 0.000 0.855 53 K N 3.268 123.757 120.400 0.148 0.000 2.448 53 K HA 0.057 4.398 4.320 0.034 0.000 0.278 53 K C 0.064 176.774 176.600 0.183 0.000 1.009 53 K CA 0.330 56.707 56.287 0.150 0.000 0.995 53 K CB 0.242 32.870 32.500 0.215 0.000 0.917 53 K HN 0.274 nan 8.250 nan 0.000 0.481 54 R N 4.507 125.102 120.500 0.158 0.000 2.582 54 R HA 0.246 4.606 4.340 0.034 0.000 0.271 54 R C -1.999 174.414 176.300 0.189 0.000 1.078 54 R CA -1.789 54.392 56.100 0.134 0.000 1.127 54 R CB 0.152 30.513 30.300 0.101 0.000 1.038 54 R HN 0.589 nan 8.270 nan 0.000 0.500 55 P HA -0.047 nan 4.420 nan 0.000 0.269 55 P C -1.242 176.111 177.300 0.088 0.000 1.217 55 P CA -0.036 63.008 63.100 -0.094 0.000 0.783 55 P CB 0.307 31.907 31.700 -0.167 0.000 0.898 56 W N 0.040 121.374 121.300 0.057 0.000 2.902 56 W HA 0.692 5.372 4.660 0.034 0.000 0.346 56 W C -0.635 175.909 176.519 0.042 0.000 1.139 56 W CA -1.002 56.373 57.345 0.051 0.000 1.139 56 W CB 0.079 29.577 29.460 0.063 0.000 1.439 56 W HN 0.405 nan 8.180 nan 0.000 0.558 57 S N 1.417 117.285 115.700 0.280 0.000 2.672 57 S HA 0.794 5.284 4.470 0.034 0.000 0.276 57 S C 0.683 175.429 174.600 0.243 0.000 1.207 57 S CA 0.116 58.418 58.200 0.170 0.000 1.002 57 S CB 0.773 64.043 63.200 0.116 0.000 0.998 57 S HN 2.171 nan 8.310 nan 0.000 0.542 58 G N 0.117 109.010 108.800 0.155 0.000 2.578 58 G HA2 -0.193 3.787 3.960 0.034 0.000 0.275 58 G HA3 -0.193 3.787 3.960 0.034 0.000 0.275 58 G C -0.480 174.553 174.900 0.223 0.000 1.271 58 G CA -0.107 45.084 45.100 0.151 0.000 0.941 58 G HN 1.680 nan 8.290 nan 0.000 0.564 59 V N 0.745 120.763 119.914 0.175 0.000 2.370 59 V HA 0.527 4.667 4.120 0.034 0.000 0.279 59 V C 0.596 176.771 176.094 0.135 0.000 1.029 59 V CA -0.352 62.058 62.300 0.183 0.000 0.870 59 V CB 1.196 33.089 31.823 0.117 0.000 0.984 59 V HN 0.818 nan 8.190 nan 0.000 0.451 60 L N 4.378 125.675 121.223 0.122 0.000 2.331 60 L HA 0.398 4.758 4.340 0.034 0.000 0.278 60 L C 0.178 177.021 176.870 -0.045 0.000 1.106 60 L CA 0.256 55.032 54.840 -0.106 0.000 0.824 60 L CB 0.961 42.713 42.059 -0.512 0.000 1.142 60 L HN 0.790 nan 8.230 nan 0.000 0.443 61 D N 4.077 124.434 120.400 -0.070 0.000 2.343 61 D HA 0.451 5.112 4.640 0.034 0.000 0.255 61 D C -0.226 176.029 176.300 -0.075 0.000 1.187 61 D CA 0.293 54.262 54.000 -0.052 0.000 0.875 61 D CB 1.058 41.820 40.800 -0.063 0.000 1.136 61 D HN 0.698 nan 8.370 nan 0.000 0.469 62 A N 3.158 125.957 122.820 -0.036 0.000 3.105 62 A HA 0.272 4.612 4.320 0.034 0.000 0.297 62 A C 0.727 178.238 177.584 -0.121 0.000 0.977 62 A CA -0.334 51.679 52.037 -0.039 0.000 1.020 62 A CB -0.084 18.988 19.000 0.120 0.000 1.098 62 A HN 0.601 nan 8.150 nan 0.000 0.497 63 T N -3.305 111.151 114.554 -0.164 0.000 3.003 63 T HA 0.281 4.651 4.350 0.034 0.000 0.261 63 T C 0.657 175.195 174.700 -0.269 0.000 1.003 63 T CA 0.738 62.710 62.100 -0.214 0.000 0.917 63 T CB -0.097 68.680 68.868 -0.152 0.000 1.084 63 T HN 0.716 nan 8.240 nan 0.000 0.522 64 T N -0.253 114.141 114.554 -0.267 0.000 2.903 64 T HA 0.704 5.075 4.350 0.034 0.000 0.299 64 T C -0.749 173.780 174.700 -0.284 0.000 1.093 64 T CA -0.882 61.047 62.100 -0.284 0.000 1.002 64 T CB 1.101 69.872 68.868 -0.161 0.000 1.127 64 T HN -0.012 nan 8.240 nan 0.000 0.488 65 F N 2.090 121.965 119.950 -0.124 0.000 2.563 65 F HA 0.282 4.830 4.527 0.034 0.000 0.363 65 F C 1.490 177.188 175.800 -0.170 0.000 1.123 65 F CA -0.079 57.849 58.000 -0.120 0.000 1.307 65 F CB 0.373 39.331 39.000 -0.071 0.000 1.115 65 F HN 0.490 nan 8.300 nan 0.000 0.592 66 Q N 1.189 120.992 119.800 0.006 0.000 2.162 66 Q HA 0.228 4.588 4.340 0.034 0.000 0.197 66 Q C -0.206 175.719 176.000 -0.125 0.000 1.013 66 Q CA -0.804 54.852 55.803 -0.246 0.000 1.040 66 Q CB 0.563 28.860 28.738 -0.734 0.000 1.114 66 Q HN 0.497 nan 8.270 nan 0.000 0.547 67 N N -0.186 118.415 118.700 -0.165 0.000 2.441 67 N HA 0.037 4.797 4.740 0.034 0.000 0.251 67 N C -0.587 174.906 175.510 -0.028 0.000 1.242 67 N CA 0.085 53.089 53.050 -0.076 0.000 0.898 67 N CB 0.417 38.870 38.487 -0.055 0.000 1.100 67 N HN 0.167 nan 8.380 nan 0.000 0.443 68 V N 1.806 121.678 119.914 -0.071 0.000 2.649 68 V HA 0.065 4.205 4.120 0.034 0.000 0.292 68 V C 0.667 176.711 176.094 -0.082 0.000 1.055 68 V CA -0.762 61.482 62.300 -0.093 0.000 1.023 68 V CB 0.896 32.623 31.823 -0.161 0.000 0.992 68 V HN 0.699 nan 8.190 nan 0.000 0.480 69 c N 4.358 122.923 118.600 -0.058 0.000 2.657 69 c HA 0.125 4.716 4.570 0.034 0.000 0.420 69 c C 0.460 174.505 174.090 -0.075 0.000 1.323 69 c CA -0.564 55.740 56.329 -0.041 0.000 1.894 69 c CB -0.914 41.602 42.510 0.010 0.000 2.681 69 c HN 0.761 nan 8.230 nan 0.000 0.613 70 Y N 3.798 123.960 120.300 -0.230 0.000 2.620 70 Y HA 0.284 4.854 4.550 0.034 0.000 0.330 70 Y C 0.754 176.654 175.900 0.001 0.000 1.186 70 Y CA 1.009 58.966 58.100 -0.237 0.000 1.467 70 Y CB 0.195 38.300 38.460 -0.592 0.000 1.262 70 Y HN 0.755 nan 8.280 nan 0.000 0.550 71 Q N 3.999 123.801 119.800 0.005 0.000 2.578 71 Q HA 0.205 4.565 4.340 0.034 0.000 0.284 71 Q C -1.937 174.185 176.000 0.202 0.000 0.960 71 Q CA -1.191 54.751 55.803 0.231 0.000 0.809 71 Q CB 1.203 30.020 28.738 0.131 0.000 1.462 71 Q HN 0.688 nan 8.270 nan 0.000 0.392 72 Y N 1.219 121.674 120.300 0.258 0.000 2.511 72 Y HA 0.353 4.923 4.550 0.033 0.000 0.332 72 Y C -0.863 175.123 175.900 0.143 0.000 1.177 72 Y CA 0.114 58.330 58.100 0.194 0.000 1.422 72 Y CB 0.933 39.513 38.460 0.199 0.000 1.271 72 Y HN 0.459 nan 8.280 nan 0.000 0.550 73 V N 6.786 126.342 119.914 -0.597 0.000 2.370 73 V HA 0.081 4.221 4.120 0.034 0.000 0.279 73 V C -0.320 175.395 176.094 -0.631 0.000 1.029 73 V CA -0.958 61.078 62.300 -0.440 0.000 0.870 73 V CB 1.292 32.937 31.823 -0.295 0.000 0.984 73 V HN 0.718 nan 8.190 nan 0.000 0.451 74 D N 3.873 124.159 120.400 -0.191 0.000 2.401 74 D HA 0.091 4.752 4.640 0.034 0.000 0.254 74 D C 0.864 177.164 176.300 0.000 0.000 1.192 74 D CA 0.319 54.343 54.000 0.039 0.000 0.885 74 D CB 1.255 42.207 40.800 0.253 0.000 1.147 74 D HN 0.755 nan 8.370 nan 0.000 0.478 75 T N 1.482 116.037 114.554 0.001 0.000 3.380 75 T HA 0.080 4.450 4.350 0.034 0.000 0.289 75 T C 1.351 176.033 174.700 -0.030 0.000 1.012 75 T CA -0.548 61.544 62.100 -0.014 0.000 0.944 75 T CB -0.023 68.817 68.868 -0.048 0.000 1.172 75 T HN 0.187 nan 8.240 nan 0.000 0.502 76 L N 0.722 121.919 121.223 -0.044 0.000 2.005 76 L HA 0.316 4.676 4.340 0.034 0.000 0.207 76 L C -0.175 176.413 176.870 -0.471 0.000 1.072 76 L CA 1.520 56.177 54.840 -0.305 0.000 0.744 76 L CB -0.323 41.482 42.059 -0.424 0.000 0.895 76 L HN 0.455 nan 8.230 nan 0.000 0.433 77 Y N 0.097 120.420 120.300 0.039 0.000 2.748 77 Y HA 0.424 4.994 4.550 0.034 0.000 0.359 77 Y C -2.195 173.740 175.900 0.059 0.000 1.030 77 Y CA -3.453 54.654 58.100 0.010 0.000 1.169 77 Y CB -0.276 38.158 38.460 -0.044 0.000 1.127 77 Y HN 0.111 nan 8.280 nan 0.000 0.644 78 P HA 0.152 nan 4.420 nan 0.000 0.263 78 P C 1.044 178.396 177.300 0.088 0.000 1.195 78 P CA 1.255 64.406 63.100 0.084 0.000 0.762 78 P CB 0.840 32.560 31.700 0.032 0.000 0.799 79 G N 2.568 111.410 108.800 0.069 0.000 2.195 79 G HA2 -0.282 3.698 3.960 0.034 0.000 0.246 79 G HA3 -0.282 3.698 3.960 0.034 0.000 0.246 79 G C -0.027 174.911 174.900 0.063 0.000 0.984 79 G CA -0.456 44.668 45.100 0.039 0.000 0.633 79 G HN 0.532 nan 8.290 nan 0.000 0.525 80 F N 2.331 122.237 119.950 -0.073 0.000 2.504 80 F HA 0.579 5.126 4.527 0.033 0.000 0.369 80 F C 1.397 177.094 175.800 -0.171 0.000 1.082 80 F CA -0.383 57.525 58.000 -0.152 0.000 1.216 80 F CB 1.301 40.189 39.000 -0.186 0.000 1.108 80 F HN 0.185 nan 8.300 nan 0.000 0.554 81 E N 4.036 123.806 120.200 -0.717 0.000 2.085 81 E HA -0.096 4.274 4.350 0.034 0.000 0.194 81 E C 2.250 178.351 176.600 -0.832 0.000 0.994 81 E CA 1.906 57.911 56.400 -0.657 0.000 0.801 81 E CB -0.549 28.837 29.700 -0.523 0.000 0.743 81 E HN 0.914 nan 8.360 nan 0.000 0.453 82 G N -0.825 106.989 108.800 -1.644 0.000 2.475 82 G HA2 -0.324 3.656 3.960 0.034 0.000 0.220 82 G HA3 -0.324 3.656 3.960 0.034 0.000 0.220 82 G C 1.676 176.562 174.900 -0.024 0.000 1.125 82 G CA 1.762 46.235 45.100 -1.045 0.000 0.755 82 G HN 0.495 nan 8.290 nan 0.000 0.565 83 T N -1.834 112.702 114.554 -0.029 0.000 3.033 83 T HA 0.143 4.513 4.350 0.034 0.000 0.248 83 T C 1.900 176.724 174.700 0.206 0.000 1.040 83 T CA 0.738 63.080 62.100 0.403 0.000 1.133 83 T CB 0.066 69.243 68.868 0.515 0.000 0.895 83 T HN 0.128 nan 8.240 nan 0.000 0.465 84 E N 2.114 122.306 120.200 -0.015 0.000 2.274 84 E HA -0.021 4.349 4.350 0.034 0.000 0.194 84 E C 2.181 178.672 176.600 -0.182 0.000 0.996 84 E CA 0.891 57.248 56.400 -0.072 0.000 0.840 84 E CB -0.414 29.220 29.700 -0.109 0.000 0.772 84 E HN 0.781 nan 8.360 nan 0.000 0.491 85 M N -2.478 116.922 119.600 -0.333 0.000 2.549 85 M HA -0.035 4.466 4.480 0.034 0.000 0.260 85 M C 1.156 177.040 176.300 -0.693 0.000 1.076 85 M CA 1.255 56.210 55.300 -0.574 0.000 1.090 85 M CB -0.428 31.713 32.600 -0.765 0.000 1.418 85 M HN -0.010 nan 8.290 nan 0.000 0.486 86 W N 0.772 121.960 121.300 -0.187 0.000 3.013 86 W HA 0.294 4.974 4.660 0.033 0.000 0.280 86 W C 0.546 176.948 176.519 -0.194 0.000 1.249 86 W CA -0.880 56.339 57.345 -0.209 0.000 1.577 86 W CB -0.119 29.255 29.460 -0.144 0.000 1.057 86 W HN 0.092 nan 8.180 nan 0.000 0.613 87 N N 1.619 120.326 118.700 0.012 0.000 2.444 87 N HA 0.114 4.875 4.740 0.034 0.000 0.255 87 N C -2.418 173.014 175.510 -0.131 0.000 1.255 87 N CA -1.236 51.785 53.050 -0.047 0.000 0.933 87 N CB -0.122 38.338 38.487 -0.045 0.000 1.143 87 N HN -0.330 nan 8.380 nan 0.000 0.453 88 P HA 0.065 nan 4.420 nan 0.000 0.265 88 P C 0.164 177.361 177.300 -0.172 0.000 1.193 88 P CA 0.017 63.008 63.100 -0.182 0.000 0.765 88 P CB 0.284 31.873 31.700 -0.186 0.000 0.823 89 N N 2.270 120.858 118.700 -0.188 0.000 2.234 89 N HA 0.090 4.850 4.740 0.034 0.000 0.227 89 N C 0.108 175.542 175.510 -0.127 0.000 1.151 89 N CA -0.067 52.885 53.050 -0.162 0.000 0.865 89 N CB 0.346 38.720 38.487 -0.189 0.000 1.066 89 N HN 0.141 nan 8.380 nan 0.000 0.515 90 R N -0.071 120.352 120.500 -0.128 0.000 2.831 90 R HA 0.329 4.689 4.340 0.034 0.000 0.266 90 R C -0.407 175.827 176.300 -0.109 0.000 1.051 90 R CA -0.620 55.422 56.100 -0.098 0.000 0.943 90 R CB 0.621 30.874 30.300 -0.078 0.000 1.228 90 R HN 0.094 nan 8.270 nan 0.000 0.467 91 E N 1.648 121.792 120.200 -0.092 0.000 2.442 91 E HA 0.058 4.428 4.350 0.034 0.000 0.262 91 E C 0.034 176.566 176.600 -0.113 0.000 1.004 91 E CA 0.183 56.527 56.400 -0.093 0.000 0.928 91 E CB 0.381 30.041 29.700 -0.067 0.000 0.937 91 E HN 0.272 nan 8.360 nan 0.000 0.446 92 L N 1.780 122.910 121.223 -0.153 0.000 2.397 92 L HA 0.238 4.599 4.340 0.034 0.000 0.271 92 L C 0.740 177.582 176.870 -0.047 0.000 1.148 92 L CA 0.066 54.777 54.840 -0.214 0.000 0.825 92 L CB 0.730 42.458 42.059 -0.552 0.000 1.117 92 L HN 0.384 nan 8.230 nan 0.000 0.456 93 S N 0.651 116.356 115.700 0.008 0.000 2.558 93 S HA 0.164 4.654 4.470 0.034 0.000 0.277 93 S C 0.205 174.802 174.600 -0.005 0.000 1.143 93 S CA -0.679 57.556 58.200 0.058 0.000 0.865 93 S CB 1.513 64.721 63.200 0.013 0.000 1.102 93 S HN 0.750 nan 8.310 nan 0.000 0.454 94 E N 1.109 121.258 120.200 -0.084 0.000 2.268 94 E HA -0.086 4.284 4.350 0.034 0.000 0.195 94 E C -0.184 176.358 176.600 -0.096 0.000 0.995 94 E CA 0.542 56.828 56.400 -0.190 0.000 0.836 94 E CB 0.079 29.621 29.700 -0.263 0.000 0.763 94 E HN 0.551 nan 8.360 nan 0.000 0.491 95 D N 0.568 120.946 120.400 -0.037 0.000 2.508 95 D HA -0.016 4.644 4.640 0.034 0.000 0.224 95 D C 0.072 176.447 176.300 0.125 0.000 1.171 95 D CA -0.217 53.793 54.000 0.017 0.000 1.006 95 D CB -0.111 40.715 40.800 0.043 0.000 1.073 95 D HN 0.144 nan 8.370 nan 0.000 0.513 96 c N 2.350 120.990 118.600 0.067 0.000 3.772 96 c HA 0.374 4.964 4.570 0.034 0.000 0.293 96 c C 0.675 174.827 174.090 0.103 0.000 1.659 96 c CA -0.674 55.758 56.329 0.171 0.000 1.810 96 c CB -1.229 41.321 42.510 0.067 0.000 3.059 96 c HN 0.424 nan 8.230 nan 0.000 0.617 97 L N 2.492 123.517 121.223 -0.329 0.000 2.384 97 L HA 0.391 4.751 4.340 0.034 0.000 0.258 97 L C -0.889 175.351 176.870 -1.051 0.000 1.266 97 L CA 0.490 54.916 54.840 -0.690 0.000 1.162 97 L CB -0.706 40.779 42.059 -0.956 0.000 1.375 97 L HN 0.393 nan 8.230 nan 0.000 0.420 98 Y N 1.650 121.925 120.300 -0.041 0.000 2.570 98 Y HA 0.651 5.221 4.550 0.034 0.000 0.345 98 Y C 0.004 176.090 175.900 0.309 0.000 1.014 98 Y CA -1.160 56.988 58.100 0.080 0.000 1.063 98 Y CB 2.030 40.494 38.460 0.007 0.000 1.272 98 Y HN 0.193 nan 8.280 nan 0.000 0.477 99 L N -0.235 121.177 121.223 0.316 0.000 2.303 99 L HA 0.786 5.146 4.340 0.034 0.000 0.256 99 L C -1.336 175.551 176.870 0.029 0.000 1.034 99 L CA -1.136 53.780 54.840 0.127 0.000 0.832 99 L CB 1.776 43.757 42.059 -0.129 0.000 1.403 99 L HN 0.475 nan 8.230 nan 0.000 0.419 100 N N -0.074 118.642 118.700 0.026 0.000 2.225 100 N HA 0.732 5.492 4.740 0.034 0.000 0.298 100 N C -1.537 173.890 175.510 -0.137 0.000 1.076 100 N CA -0.424 52.555 53.050 -0.117 0.000 0.792 100 N CB 2.869 41.297 38.487 -0.098 0.000 1.498 100 N HN 0.509 nan 8.380 nan 0.000 0.474 101 V N 1.120 120.880 119.914 -0.256 0.000 2.588 101 V HA 0.500 4.640 4.120 0.034 0.000 0.304 101 V C -0.830 175.213 176.094 -0.085 0.000 1.042 101 V CA -0.780 61.467 62.300 -0.087 0.000 0.877 101 V CB 2.428 34.071 31.823 -0.300 0.000 0.996 101 V HN 0.556 nan 8.190 nan 0.000 0.425 102 W N 2.605 124.001 121.300 0.161 0.000 2.632 102 W HA 0.695 5.376 4.660 0.034 0.000 0.328 102 W C 0.116 176.745 176.519 0.183 0.000 1.044 102 W CA -0.415 57.023 57.345 0.156 0.000 1.225 102 W CB 2.468 31.996 29.460 0.114 0.000 1.396 102 W HN 0.684 nan 8.180 nan 0.000 0.499 103 T N 0.151 114.959 114.554 0.423 0.000 2.883 103 T HA 0.540 4.910 4.350 0.034 0.000 0.296 103 T C -2.850 172.018 174.700 0.280 0.000 1.117 103 T CA -2.381 59.922 62.100 0.338 0.000 1.006 103 T CB 2.187 71.277 68.868 0.371 0.000 1.191 103 T HN -0.087 nan 8.240 nan 0.000 0.508 104 P HA 0.165 nan 4.420 nan 0.000 0.269 104 P C -1.583 175.852 177.300 0.225 0.000 1.211 104 P CA -0.019 63.195 63.100 0.190 0.000 0.781 104 P CB 0.038 31.821 31.700 0.139 0.000 0.877 105 Y N 3.024 123.375 120.300 0.085 0.000 2.332 105 Y HA 0.410 4.980 4.550 0.034 0.000 0.326 105 Y C -2.205 173.728 175.900 0.054 0.000 0.978 105 Y CA -2.437 55.705 58.100 0.070 0.000 1.205 105 Y CB 1.120 39.608 38.460 0.046 0.000 1.131 105 Y HN 0.327 nan 8.280 nan 0.000 0.462 106 P HA 0.259 nan 4.420 nan 0.000 0.276 106 P C -0.865 176.395 177.300 -0.067 0.000 1.244 106 P CA -0.509 62.418 63.100 -0.289 0.000 0.801 106 P CB 1.096 32.657 31.700 -0.232 0.000 1.006 107 R N 1.578 122.046 120.500 -0.054 0.000 2.523 107 R HA 0.059 4.419 4.340 0.034 0.000 0.281 107 R C -1.691 174.634 176.300 0.041 0.000 0.969 107 R CA -0.688 55.445 56.100 0.055 0.000 1.093 107 R CB -0.865 29.474 30.300 0.066 0.000 0.917 107 R HN 0.471 nan 8.270 nan 0.000 0.408 108 P HA -0.047 nan 4.420 nan 0.000 0.267 108 P C -0.054 177.266 177.300 0.033 0.000 1.200 108 P CA 0.162 63.295 63.100 0.054 0.000 0.772 108 P CB 0.705 32.448 31.700 0.071 0.000 0.855 109 A N 2.727 125.560 122.820 0.022 0.000 1.872 109 A HA 0.002 4.342 4.320 0.034 0.000 0.214 109 A C 1.204 178.794 177.584 0.010 0.000 1.187 109 A CA 1.576 53.619 52.037 0.011 0.000 0.614 109 A CB -1.002 18.003 19.000 0.008 0.000 0.826 109 A HN 0.705 nan 8.150 nan 0.000 0.442 110 S N -0.611 115.097 115.700 0.014 0.000 2.690 110 S HA 0.606 5.096 4.470 0.034 0.000 0.291 110 S C -3.084 171.528 174.600 0.019 0.000 1.138 110 S CA -1.749 56.458 58.200 0.011 0.000 1.013 110 S CB 0.883 64.087 63.200 0.007 0.000 1.053 110 S HN 0.056 nan 8.310 nan 0.000 0.539 111 P HA 0.231 nan 4.420 nan 0.000 0.266 111 P C -0.638 176.676 177.300 0.024 0.000 1.215 111 P CA 0.180 63.293 63.100 0.022 0.000 0.763 111 P CB 0.171 31.877 31.700 0.009 0.000 0.806 112 T N 5.754 120.333 114.554 0.043 0.000 2.867 112 T HA 0.397 4.767 4.350 0.034 0.000 0.282 112 T C -2.339 172.387 174.700 0.043 0.000 1.000 112 T CA -1.686 60.441 62.100 0.044 0.000 1.042 112 T CB 0.641 69.550 68.868 0.067 0.000 0.973 112 T HN 0.161 nan 8.240 nan 0.000 0.465 113 P HA 0.174 nan 4.420 nan 0.000 0.266 113 P C -1.046 176.288 177.300 0.057 0.000 1.195 113 P CA -0.268 62.845 63.100 0.021 0.000 0.768 113 P CB 0.425 32.120 31.700 -0.009 0.000 0.838 114 V N 4.949 124.911 119.914 0.080 0.000 2.398 114 V HA 0.284 4.424 4.120 0.034 0.000 0.286 114 V C 0.210 176.386 176.094 0.136 0.000 1.026 114 V CA -0.470 61.904 62.300 0.124 0.000 0.868 114 V CB 1.082 32.993 31.823 0.147 0.000 0.982 114 V HN 0.340 nan 8.190 nan 0.000 0.443 115 L N 6.115 127.430 121.223 0.153 0.000 2.295 115 L HA 0.574 4.934 4.340 0.034 0.000 0.285 115 L C -0.354 176.752 176.870 0.394 0.000 1.035 115 L CA 0.012 54.972 54.840 0.199 0.000 0.806 115 L CB 1.403 43.460 42.059 -0.004 0.000 1.214 115 L HN 0.473 nan 8.230 nan 0.000 0.426 116 I N 2.803 123.641 120.570 0.447 0.000 2.355 116 I HA 0.209 4.400 4.170 0.034 0.000 0.288 116 I C -0.699 175.690 176.117 0.454 0.000 0.999 116 I CA -0.412 61.126 61.300 0.397 0.000 1.163 116 I CB 1.167 39.277 38.000 0.182 0.000 1.316 116 I HN 0.638 nan 8.210 nan 0.000 0.454 117 W N 8.405 129.800 121.300 0.159 0.000 2.315 117 W HA 0.575 5.255 4.660 0.033 0.000 0.316 117 W C -1.492 174.916 176.519 -0.185 0.000 1.211 117 W CA -0.607 56.588 57.345 -0.250 0.000 1.201 117 W CB 1.181 30.507 29.460 -0.222 0.000 1.184 117 W HN 0.337 nan 8.180 nan 0.000 0.544 118 I N 8.797 128.664 120.570 -1.172 0.000 2.420 118 I HA 0.062 4.252 4.170 0.034 0.000 0.282 118 I C -0.308 174.973 176.117 -1.393 0.000 1.019 118 I CA -1.093 59.601 61.300 -1.010 0.000 1.130 118 I CB 0.726 38.332 38.000 -0.657 0.000 1.262 118 I HN 0.301 nan 8.210 nan 0.000 0.454 119 Y N 4.535 124.351 120.300 -0.806 0.000 2.511 119 Y HA 0.598 5.168 4.550 0.033 0.000 0.347 119 Y C 0.819 176.558 175.900 -0.267 0.000 1.257 119 Y CA -0.646 57.137 58.100 -0.529 0.000 1.469 119 Y CB -0.102 38.309 38.460 -0.082 0.000 1.353 119 Y HN 0.510 nan 8.280 nan 0.000 0.617 120 G N -0.857 107.964 108.800 0.035 0.000 2.606 120 G HA2 0.496 4.476 3.960 0.034 0.000 0.262 120 G HA3 0.496 4.476 3.960 0.034 0.000 0.262 120 G C 0.294 175.179 174.900 -0.026 0.000 1.394 120 G CA -0.935 44.129 45.100 -0.061 0.000 1.044 120 G HN 1.722 nan 8.290 nan 0.000 0.553 121 G N -2.816 105.816 108.800 -0.280 0.000 2.192 121 G HA2 0.405 4.385 3.960 0.034 0.000 0.152 121 G HA3 0.405 4.385 3.960 0.034 0.000 0.152 121 G C 1.025 175.477 174.900 -0.747 0.000 1.057 121 G CA 0.701 45.520 45.100 -0.469 0.000 0.748 121 G HN 2.335 nan 8.290 nan 0.000 0.488 122 G N -0.453 107.867 108.800 -0.800 0.000 2.203 122 G HA2 -0.122 3.858 3.960 0.034 0.000 0.263 122 G HA3 -0.122 3.858 3.960 0.034 0.000 0.263 122 G C 0.892 175.515 174.900 -0.461 0.000 1.012 122 G CA 0.672 44.985 45.100 -1.312 0.000 0.749 122 G HN 1.753 nan 8.290 nan 0.000 0.512 123 F N -3.119 116.735 119.950 -0.161 0.000 3.021 123 F HA -0.330 4.217 4.527 0.034 0.000 0.294 123 F C 1.492 177.452 175.800 0.268 0.000 0.761 123 F CA 2.285 60.334 58.000 0.081 0.000 1.102 123 F CB -2.029 36.868 39.000 -0.171 0.000 1.380 123 F HN 0.943 nan 8.300 nan 0.000 0.387 124 Y N -1.252 119.185 120.300 0.227 0.000 2.426 124 Y HA 0.615 5.185 4.550 0.033 0.000 0.249 124 Y C 0.615 176.645 175.900 0.217 0.000 1.103 124 Y CA 0.307 58.577 58.100 0.284 0.000 1.256 124 Y CB 0.030 38.651 38.460 0.268 0.000 1.208 124 Y HN 0.062 nan 8.280 nan 0.000 0.519 125 S N -0.744 114.733 115.700 -0.372 0.000 2.688 125 S HA 0.886 5.377 4.470 0.034 0.000 0.275 125 S C -0.152 174.278 174.600 -0.284 0.000 1.175 125 S CA -0.511 57.496 58.200 -0.321 0.000 0.818 125 S CB 1.513 64.402 63.200 -0.519 0.000 1.157 125 S HN 1.358 nan 8.310 nan 0.000 0.482 126 G N -0.731 107.852 108.800 -0.361 0.000 2.440 126 G HA2 0.543 4.523 3.960 0.034 0.000 0.684 126 G HA3 0.543 4.523 3.960 0.034 0.000 0.684 126 G C -0.718 173.483 174.900 -1.165 0.000 1.309 126 G CA -0.211 44.502 45.100 -0.644 0.000 0.931 126 G HN 2.202 nan 8.290 nan 0.000 0.612 127 A N -1.103 120.897 122.820 -1.367 0.000 2.577 127 A HA 0.984 5.324 4.320 0.034 0.000 0.297 127 A C 0.561 177.963 177.584 -0.305 0.000 1.060 127 A CA 0.633 52.164 52.037 -0.844 0.000 0.697 127 A CB 0.987 19.739 19.000 -0.413 0.000 1.281 127 A HN 2.585 nan 8.150 nan 0.000 0.402 128 A N 0.682 123.566 122.820 0.106 0.000 2.206 128 A HA 0.244 4.585 4.320 0.034 0.000 0.211 128 A C 1.699 179.320 177.584 0.062 0.000 1.158 128 A CA 1.791 54.065 52.037 0.394 0.000 0.761 128 A CB -0.509 18.771 19.000 0.466 0.000 0.801 128 A HN 1.831 nan 8.150 nan 0.000 0.473 129 S N -0.669 114.819 115.700 -0.354 0.000 2.556 129 S HA 0.336 4.826 4.470 0.034 0.000 0.216 129 S C 0.495 174.643 174.600 -0.753 0.000 0.970 129 S CA -0.473 57.062 58.200 -1.109 0.000 0.912 129 S CB -0.549 62.000 63.200 -1.085 0.000 0.790 129 S HN 0.371 nan 8.310 nan 0.000 0.504 130 L N 2.116 123.046 121.223 -0.488 0.000 2.483 130 L HA 0.168 4.528 4.340 0.034 0.000 0.275 130 L C 1.188 177.733 176.870 -0.542 0.000 1.220 130 L CA -0.461 54.042 54.840 -0.562 0.000 0.833 130 L CB 0.214 41.785 42.059 -0.815 0.000 1.102 130 L HN 0.075 nan 8.230 nan 0.000 0.490 131 D N 0.788 120.905 120.400 -0.471 0.000 2.178 131 D HA -0.134 4.526 4.640 0.034 0.000 0.201 131 D C 1.973 177.995 176.300 -0.463 0.000 0.980 131 D CA 1.244 55.030 54.000 -0.358 0.000 0.842 131 D CB -0.028 40.598 40.800 -0.291 0.000 0.948 131 D HN 0.513 nan 8.370 nan 0.000 0.472 132 V N -1.380 118.103 119.914 -0.717 0.000 2.970 132 V HA -0.144 3.996 4.120 0.034 0.000 0.260 132 V C 1.020 176.541 176.094 -0.955 0.000 1.100 132 V CA 0.991 62.837 62.300 -0.757 0.000 1.122 132 V CB -1.100 30.223 31.823 -0.832 0.000 0.721 132 V HN 0.057 nan 8.190 nan 0.000 0.483 133 Y N 0.366 120.083 120.300 -0.972 0.000 2.625 133 Y HA 0.472 5.042 4.550 0.033 0.000 0.285 133 Y C 0.679 175.969 175.900 -1.018 0.000 1.168 133 Y CA -2.077 55.065 58.100 -1.597 0.000 1.250 133 Y CB -0.852 37.028 38.460 -0.966 0.000 1.130 133 Y HN 0.260 nan 8.280 nan 0.000 0.526 134 D N 0.655 120.740 120.400 -0.524 0.000 2.346 134 D HA 0.117 4.777 4.640 0.034 0.000 0.260 134 D C 1.377 177.364 176.300 -0.521 0.000 1.252 134 D CA 0.268 54.047 54.000 -0.367 0.000 0.895 134 D CB 1.264 41.989 40.800 -0.124 0.000 1.097 134 D HN 0.436 nan 8.370 nan 0.000 0.489 135 G N 4.190 112.099 108.800 -1.485 0.000 3.026 135 G HA2 -0.157 3.824 3.960 0.034 0.000 0.208 135 G HA3 -0.157 3.824 3.960 0.034 0.000 0.208 135 G C 1.420 175.752 174.900 -0.948 0.000 1.169 135 G CA -0.069 44.316 45.100 -1.192 0.000 0.788 135 G HN 0.561 nan 8.290 nan 0.000 0.533 136 R N -0.161 119.767 120.500 -0.954 0.000 2.115 136 R HA 0.010 4.371 4.340 0.034 0.000 0.226 136 R C 1.498 177.538 176.300 -0.434 0.000 1.100 136 R CA 0.904 56.661 56.100 -0.573 0.000 0.980 136 R CB -0.677 29.331 30.300 -0.488 0.000 0.875 136 R HN 0.333 nan 8.270 nan 0.000 0.445 137 F N 1.529 121.391 119.950 -0.147 0.000 2.163 137 F HA 0.064 4.612 4.527 0.034 0.000 0.297 137 F C 2.391 178.135 175.800 -0.093 0.000 1.094 137 F CA 0.715 58.655 58.000 -0.101 0.000 1.290 137 F CB -0.531 38.401 39.000 -0.114 0.000 1.017 137 F HN -0.139 nan 8.300 nan 0.000 0.483 138 L N -0.249 121.005 121.223 0.051 0.000 2.141 138 L HA -0.149 4.211 4.340 0.034 0.000 0.209 138 L C 2.652 179.529 176.870 0.012 0.000 1.094 138 L CA 0.972 55.805 54.840 -0.013 0.000 0.763 138 L CB -0.814 41.190 42.059 -0.092 0.000 0.908 138 L HN 0.180 nan 8.230 nan 0.000 0.437 139 A N -1.006 121.824 122.820 0.018 0.000 1.897 139 A HA -0.206 4.135 4.320 0.034 0.000 0.215 139 A C 2.283 179.912 177.584 0.075 0.000 1.181 139 A CA 1.272 53.358 52.037 0.081 0.000 0.620 139 A CB -0.367 18.723 19.000 0.149 0.000 0.821 139 A HN 0.359 nan 8.150 nan 0.000 0.443 140 Q N -0.173 119.656 119.800 0.049 0.000 2.062 140 Q HA -0.053 4.307 4.340 0.034 0.000 0.196 140 Q C 2.142 178.175 176.000 0.055 0.000 0.967 140 Q CA 1.857 57.693 55.803 0.055 0.000 0.832 140 Q CB -0.131 28.626 28.738 0.031 0.000 0.899 140 Q HN 0.409 nan 8.270 nan 0.000 0.442 141 V N 1.155 121.101 119.914 0.053 0.000 2.446 141 V HA -0.098 4.042 4.120 0.034 0.000 0.244 141 V C 1.700 177.811 176.094 0.029 0.000 1.039 141 V CA 1.452 63.777 62.300 0.042 0.000 1.045 141 V CB -0.082 31.765 31.823 0.041 0.000 0.681 141 V HN 0.223 nan 8.190 nan 0.000 0.459 142 E N -0.420 119.795 120.200 0.026 0.000 2.489 142 E HA 0.213 4.583 4.350 0.034 0.000 0.204 142 E C 1.712 178.331 176.600 0.031 0.000 1.006 142 E CA 0.763 57.175 56.400 0.019 0.000 0.936 142 E CB 0.712 30.414 29.700 0.004 0.000 1.002 142 E HN 0.570 nan 8.360 nan 0.000 0.488 143 G N 1.644 110.473 108.800 0.047 0.000 2.143 143 G HA2 -0.306 3.674 3.960 0.034 0.000 0.248 143 G HA3 -0.306 3.674 3.960 0.034 0.000 0.248 143 G C 0.545 175.489 174.900 0.073 0.000 0.991 143 G CA 0.339 45.477 45.100 0.063 0.000 0.689 143 G HN 0.488 nan 8.290 nan 0.000 0.522 144 A N -0.700 122.161 122.820 0.068 0.000 2.386 144 A HA 0.675 5.016 4.320 0.034 0.000 0.248 144 A C 0.523 178.186 177.584 0.132 0.000 1.082 144 A CA 0.264 52.347 52.037 0.077 0.000 0.789 144 A CB 1.089 20.115 19.000 0.043 0.000 1.025 144 A HN 1.129 nan 8.150 nan 0.000 0.490 145 V N 2.909 122.910 119.914 0.146 0.000 2.350 145 V HA 0.386 4.526 4.120 0.034 0.000 0.276 145 V C -0.176 176.051 176.094 0.221 0.000 1.028 145 V CA -0.104 62.315 62.300 0.197 0.000 0.860 145 V CB 0.792 32.722 31.823 0.178 0.000 0.990 145 V HN 0.722 nan 8.190 nan 0.000 0.453 146 L N 6.456 127.864 121.223 0.308 0.000 2.341 146 L HA 0.777 5.137 4.340 0.034 0.000 0.278 146 L C -0.914 176.250 176.870 0.490 0.000 1.005 146 L CA -0.274 54.794 54.840 0.380 0.000 0.818 146 L CB 1.909 44.176 42.059 0.346 0.000 1.259 146 L HN 0.428 nan 8.230 nan 0.000 0.418 147 V N 3.109 123.287 119.914 0.441 0.000 2.604 147 V HA 0.710 4.850 4.120 0.034 0.000 0.305 147 V C -0.464 175.893 176.094 0.439 0.000 1.043 147 V CA -0.434 62.087 62.300 0.370 0.000 0.888 147 V CB 2.022 33.985 31.823 0.235 0.000 0.995 147 V HN 0.855 nan 8.190 nan 0.000 0.429 148 S N 5.098 121.060 115.700 0.436 0.000 2.541 148 S HA 0.886 5.376 4.470 0.034 0.000 0.280 148 S C -0.807 173.958 174.600 0.276 0.000 1.112 148 S CA -0.825 57.628 58.200 0.423 0.000 0.925 148 S CB 2.279 65.857 63.200 0.630 0.000 1.067 148 S HN 0.864 nan 8.310 nan 0.000 0.479 149 M N 1.271 120.992 119.600 0.202 0.000 2.602 149 M HA 0.648 5.148 4.480 0.034 0.000 0.312 149 M C -1.698 174.808 176.300 0.343 0.000 1.181 149 M CA -0.566 54.843 55.300 0.181 0.000 0.910 149 M CB 1.145 33.693 32.600 -0.086 0.000 1.723 149 M HN 0.543 nan 8.290 nan 0.000 0.459 150 N N 2.531 121.496 118.700 0.441 0.000 2.518 150 N HA 0.570 5.330 4.740 0.034 0.000 0.283 150 N C -1.392 174.386 175.510 0.448 0.000 1.119 150 N CA 0.079 53.404 53.050 0.457 0.000 0.983 150 N CB 0.580 39.275 38.487 0.346 0.000 1.139 150 N HN 0.717 nan 8.380 nan 0.000 0.465 151 Y N -1.789 118.688 120.300 0.294 0.000 2.512 151 Y HA 0.573 5.143 4.550 0.033 0.000 0.348 151 Y C -0.020 176.025 175.900 0.242 0.000 0.990 151 Y CA -1.336 56.895 58.100 0.217 0.000 1.033 151 Y CB 0.970 39.489 38.460 0.099 0.000 1.259 151 Y HN 0.197 nan 8.280 nan 0.000 0.461 152 R N 1.918 122.566 120.500 0.246 0.000 2.537 152 R HA 0.471 4.831 4.340 0.034 0.000 0.280 152 R C -0.309 176.150 176.300 0.265 0.000 1.058 152 R CA -0.147 56.057 56.100 0.172 0.000 1.057 152 R CB 0.841 31.210 30.300 0.115 0.000 0.973 152 R HN 0.731 nan 8.270 nan 0.000 0.438 153 V N -0.285 119.828 119.914 0.332 0.000 3.158 153 V HA 0.889 5.029 4.120 0.034 0.000 0.315 153 V C 0.712 177.163 176.094 0.594 0.000 1.148 153 V CA -0.085 62.536 62.300 0.534 0.000 1.042 153 V CB 1.232 33.287 31.823 0.387 0.000 1.101 153 V HN 0.975 nan 8.190 nan 0.000 0.448 154 G N 1.896 111.106 108.800 0.682 0.000 2.564 154 G HA2 -0.287 3.694 3.960 0.034 0.000 0.273 154 G HA3 -0.287 3.694 3.960 0.034 0.000 0.273 154 G C 1.005 176.088 174.900 0.305 0.000 1.242 154 G CA 1.415 46.855 45.100 0.567 0.000 0.951 154 G HN 2.355 nan 8.290 nan 0.000 0.564 155 T N -1.610 112.845 114.554 -0.165 0.000 2.720 155 T HA -0.110 4.260 4.350 0.034 0.000 0.268 155 T C 2.129 176.714 174.700 -0.192 0.000 1.037 155 T CA 2.628 64.390 62.100 -0.562 0.000 1.144 155 T CB -0.420 67.978 68.868 -0.783 0.000 0.864 155 T HN 0.591 nan 8.240 nan 0.000 0.444 156 F N 2.234 122.270 119.950 0.145 0.000 2.171 156 F HA 0.207 4.754 4.527 0.033 0.000 0.300 156 F C 2.804 178.623 175.800 0.032 0.000 1.090 156 F CA 0.864 58.900 58.000 0.060 0.000 1.293 156 F CB -1.012 37.994 39.000 0.010 0.000 1.013 156 F HN 0.369 nan 8.300 nan 0.000 0.486 157 G N -2.137 106.757 108.800 0.156 0.000 2.662 157 G HA2 0.003 3.983 3.960 0.034 0.000 0.212 157 G HA3 0.003 3.983 3.960 0.034 0.000 0.212 157 G C 0.882 175.361 174.900 -0.701 0.000 1.141 157 G CA 0.306 45.229 45.100 -0.295 0.000 0.797 157 G HN 0.352 nan 8.290 nan 0.000 0.531 158 F N -0.878 119.187 119.950 0.191 0.000 2.974 158 F HA 0.411 4.958 4.527 0.034 0.000 0.357 158 F C 0.424 176.323 175.800 0.165 0.000 1.114 158 F CA -1.058 57.036 58.000 0.157 0.000 1.099 158 F CB 0.280 39.390 39.000 0.183 0.000 1.205 158 F HN -0.088 nan 8.300 nan 0.000 0.535 159 L N 2.246 123.545 121.223 0.127 0.000 2.513 159 L HA 0.516 4.876 4.340 0.034 0.000 0.272 159 L C -0.027 176.828 176.870 -0.025 0.000 1.187 159 L CA 0.044 54.856 54.840 -0.046 0.000 0.895 159 L CB 0.380 42.131 42.059 -0.512 0.000 1.147 159 L HN 0.128 nan 8.230 nan 0.000 0.483 160 A N 6.597 129.445 122.820 0.047 0.000 2.374 160 A HA 0.631 4.971 4.320 0.034 0.000 0.305 160 A C -0.976 176.596 177.584 -0.020 0.000 1.053 160 A CA -0.614 51.428 52.037 0.009 0.000 0.726 160 A CB 1.208 20.244 19.000 0.060 0.000 1.229 160 A HN 0.719 nan 8.150 nan 0.000 0.431 161 L N 3.577 124.770 121.223 -0.051 0.000 2.360 161 L HA 0.306 4.666 4.340 0.034 0.000 0.265 161 L C -2.418 174.444 176.870 -0.012 0.000 1.066 161 L CA -1.863 52.955 54.840 -0.036 0.000 0.929 161 L CB 1.218 43.243 42.059 -0.058 0.000 1.306 161 L HN 0.412 nan 8.230 nan 0.000 0.434 162 P HA 0.054 nan 4.420 nan 0.000 0.264 162 P C 0.966 178.270 177.300 0.008 0.000 1.183 162 P CA 0.745 63.851 63.100 0.010 0.000 0.763 162 P CB 0.953 32.659 31.700 0.010 0.000 0.807 163 G N 1.718 110.526 108.800 0.014 0.000 2.234 163 G HA2 -0.242 3.738 3.960 0.034 0.000 0.235 163 G HA3 -0.242 3.738 3.960 0.034 0.000 0.235 163 G C 0.418 175.326 174.900 0.013 0.000 0.997 163 G CA 0.252 45.360 45.100 0.013 0.000 0.623 163 G HN 0.811 nan 8.290 nan 0.000 0.514 164 S N -0.145 115.561 115.700 0.010 0.000 2.603 164 S HA 0.596 5.086 4.470 0.034 0.000 0.268 164 S C 1.208 175.821 174.600 0.022 0.000 1.317 164 S CA 0.464 58.670 58.200 0.011 0.000 1.012 164 S CB 1.952 65.152 63.200 0.001 0.000 0.926 164 S HN 0.466 nan 8.310 nan 0.000 0.539 165 R N 0.555 121.070 120.500 0.025 0.000 2.119 165 R HA -0.019 4.342 4.340 0.034 0.000 0.222 165 R C 1.413 177.739 176.300 0.044 0.000 1.088 165 R CA 1.297 57.417 56.100 0.033 0.000 0.984 165 R CB -0.071 30.247 30.300 0.031 0.000 0.884 165 R HN 0.911 nan 8.270 nan 0.000 0.447 166 E N -1.105 119.122 120.200 0.044 0.000 2.476 166 E HA 0.085 4.455 4.350 0.034 0.000 0.199 166 E C -0.243 176.413 176.600 0.093 0.000 1.021 166 E CA 0.234 56.675 56.400 0.069 0.000 0.907 166 E CB 1.092 30.833 29.700 0.068 0.000 0.974 166 E HN 0.184 nan 8.360 nan 0.000 0.489 167 A N 2.604 125.451 122.820 0.045 0.000 3.409 167 A HA 0.346 4.686 4.320 0.034 0.000 0.282 167 A C -2.183 175.411 177.584 0.016 0.000 1.064 167 A CA -0.914 51.137 52.037 0.023 0.000 0.889 167 A CB 0.792 19.714 19.000 -0.130 0.000 1.251 167 A HN -0.087 nan 8.150 nan 0.000 0.538 168 P HA 0.146 nan 4.420 nan 0.000 0.233 168 P C 0.894 178.221 177.300 0.045 0.000 1.167 168 P CA 1.749 64.875 63.100 0.042 0.000 0.770 168 P CB 0.112 31.846 31.700 0.056 0.000 0.837 169 G N 0.776 109.603 108.800 0.045 0.000 2.699 169 G HA2 -0.173 3.807 3.960 0.034 0.000 0.686 169 G HA3 -0.173 3.807 3.960 0.034 0.000 0.686 169 G C -0.093 174.826 174.900 0.032 0.000 1.301 169 G CA -0.321 44.812 45.100 0.055 0.000 0.816 169 G HN 0.117 nan 8.290 nan 0.000 0.595 170 N N -2.350 116.375 118.700 0.041 0.000 2.753 170 N HA -0.281 4.479 4.740 0.034 0.000 0.251 170 N C 1.869 177.279 175.510 -0.167 0.000 1.097 170 N CA 2.373 55.392 53.050 -0.051 0.000 0.786 170 N CB -1.609 36.773 38.487 -0.176 0.000 1.137 170 N HN 1.917 nan 8.380 nan 0.000 0.566 171 V N -2.688 117.123 119.914 -0.172 0.000 2.626 171 V HA 0.038 4.178 4.120 0.034 0.000 0.252 171 V C 2.291 178.286 176.094 -0.165 0.000 1.067 171 V CA 2.230 64.464 62.300 -0.109 0.000 1.081 171 V CB -0.803 30.998 31.823 -0.035 0.000 0.686 171 V HN 0.262 nan 8.190 nan 0.000 0.468 172 G N 0.465 108.981 108.800 -0.472 0.000 2.432 172 G HA2 -0.130 3.850 3.960 0.034 0.000 0.219 172 G HA3 -0.130 3.850 3.960 0.034 0.000 0.219 172 G C 1.533 176.432 174.900 -0.001 0.000 1.135 172 G CA 1.133 46.075 45.100 -0.264 0.000 0.767 172 G HN 0.544 nan 8.290 nan 0.000 0.550 173 L N -0.185 120.991 121.223 -0.078 0.000 2.156 173 L HA 0.114 4.474 4.340 0.034 0.000 0.208 173 L C 2.741 179.649 176.870 0.064 0.000 1.095 173 L CA 0.288 55.047 54.840 -0.135 0.000 0.770 173 L CB -0.255 41.397 42.059 -0.677 0.000 0.914 173 L HN 0.172 nan 8.230 nan 0.000 0.439 174 L N -0.565 120.706 121.223 0.080 0.000 2.201 174 L HA -0.184 4.176 4.340 0.034 0.000 0.212 174 L C 2.054 179.059 176.870 0.226 0.000 1.105 174 L CA 0.709 55.687 54.840 0.230 0.000 0.775 174 L CB -0.563 41.609 42.059 0.188 0.000 0.913 174 L HN 0.263 nan 8.230 nan 0.000 0.440 175 D N -0.022 120.501 120.400 0.205 0.000 2.097 175 D HA -0.182 4.479 4.640 0.034 0.000 0.197 175 D C 2.292 178.751 176.300 0.265 0.000 0.984 175 D CA 1.128 55.322 54.000 0.325 0.000 0.826 175 D CB -0.130 40.879 40.800 0.348 0.000 0.973 175 D HN 0.385 nan 8.370 nan 0.000 0.460 176 Q N 0.179 120.074 119.800 0.158 0.000 2.050 176 Q HA -0.121 4.239 4.340 0.034 0.000 0.202 176 Q C 2.283 178.286 176.000 0.004 0.000 0.980 176 Q CA 1.022 56.838 55.803 0.022 0.000 0.840 176 Q CB -0.058 28.697 28.738 0.028 0.000 0.898 176 Q HN 0.176 nan 8.270 nan 0.000 0.424 177 R N 0.508 121.125 120.500 0.196 0.000 2.091 177 R HA -0.179 4.181 4.340 0.034 0.000 0.238 177 R C 2.167 178.533 176.300 0.111 0.000 1.136 177 R CA 1.026 57.234 56.100 0.180 0.000 0.959 177 R CB -0.214 30.291 30.300 0.343 0.000 0.856 177 R HN 0.206 nan 8.270 nan 0.000 0.437 178 L N 0.680 121.993 121.223 0.151 0.000 2.083 178 L HA -0.045 4.315 4.340 0.034 0.000 0.209 178 L C 2.234 179.140 176.870 0.059 0.000 1.083 178 L CA 2.075 57.025 54.840 0.183 0.000 0.752 178 L CB -0.690 41.572 42.059 0.339 0.000 0.899 178 L HN 0.264 nan 8.230 nan 0.000 0.433 179 A N -1.121 121.530 122.820 -0.281 0.000 1.930 179 A HA -0.143 4.197 4.320 0.034 0.000 0.217 179 A C 2.110 179.641 177.584 -0.088 0.000 1.175 179 A CA 1.600 53.324 52.037 -0.522 0.000 0.627 179 A CB -0.693 17.756 19.000 -0.918 0.000 0.815 179 A HN 0.395 nan 8.150 nan 0.000 0.443 180 L N -0.551 120.632 121.223 -0.067 0.000 2.017 180 L HA -0.194 4.166 4.340 0.034 0.000 0.208 180 L C 2.626 179.548 176.870 0.086 0.000 1.073 180 L CA 2.153 56.994 54.840 0.001 0.000 0.745 180 L CB -1.042 40.977 42.059 -0.066 0.000 0.894 180 L HN 0.460 nan 8.230 nan 0.000 0.432 181 Q N -2.120 117.743 119.800 0.104 0.000 2.096 181 Q HA -0.276 4.084 4.340 0.034 0.000 0.204 181 Q C 2.128 178.223 176.000 0.159 0.000 0.982 181 Q CA 2.085 57.961 55.803 0.122 0.000 0.850 181 Q CB -0.376 28.443 28.738 0.134 0.000 0.901 181 Q HN 0.586 nan 8.270 nan 0.000 0.422 182 W N -0.635 120.684 121.300 0.031 0.000 2.363 182 W HA -0.184 4.497 4.660 0.034 0.000 0.296 182 W C 1.634 178.191 176.519 0.063 0.000 1.212 182 W CA 1.117 58.501 57.345 0.065 0.000 1.260 182 W CB 0.026 29.528 29.460 0.070 0.000 1.131 182 W HN -0.098 nan 8.180 nan 0.000 0.530 183 V N 0.648 120.762 119.914 0.332 0.000 2.358 183 V HA -0.308 3.832 4.120 0.034 0.000 0.246 183 V C 2.518 178.638 176.094 0.044 0.000 1.047 183 V CA 1.868 64.292 62.300 0.207 0.000 1.035 183 V CB -0.962 30.996 31.823 0.226 0.000 0.658 183 V HN 0.129 nan 8.190 nan 0.000 0.452 184 Q N 0.229 120.060 119.800 0.052 0.000 2.077 184 Q HA -0.243 4.117 4.340 0.034 0.000 0.206 184 Q C 2.191 178.166 176.000 -0.041 0.000 0.989 184 Q CA 1.982 57.800 55.803 0.025 0.000 0.853 184 Q CB -0.323 28.436 28.738 0.035 0.000 0.907 184 Q HN 0.741 nan 8.270 nan 0.000 0.418 185 E N -0.659 119.478 120.200 -0.105 0.000 2.230 185 E HA 0.000 4.371 4.350 0.034 0.000 0.192 185 E C 1.281 177.729 176.600 -0.254 0.000 0.987 185 E CA 0.420 56.725 56.400 -0.158 0.000 0.841 185 E CB 0.248 29.854 29.700 -0.156 0.000 0.783 185 E HN 0.319 nan 8.360 nan 0.000 0.481 186 N N -0.043 118.412 118.700 -0.409 0.000 2.360 186 N HA 0.023 4.783 4.740 0.034 0.000 0.211 186 N C 1.501 176.902 175.510 -0.182 0.000 1.147 186 N CA 0.064 52.825 53.050 -0.482 0.000 0.866 186 N CB 0.448 38.220 38.487 -1.192 0.000 1.206 186 N HN 0.031 nan 8.380 nan 0.000 0.478 187 I N 2.493 123.016 120.570 -0.079 0.000 2.567 187 I HA -0.119 4.071 4.170 0.034 0.000 0.257 187 I C 2.103 178.340 176.117 0.200 0.000 1.184 187 I CA 0.559 61.957 61.300 0.163 0.000 1.451 187 I CB -0.249 37.827 38.000 0.126 0.000 1.089 187 I HN 0.066 nan 8.210 nan 0.000 0.441 188 A N 0.303 123.163 122.820 0.066 0.000 1.972 188 A HA -0.131 4.210 4.320 0.034 0.000 0.219 188 A C 2.502 180.083 177.584 -0.006 0.000 1.169 188 A CA 1.570 53.626 52.037 0.032 0.000 0.635 188 A CB -1.133 17.860 19.000 -0.011 0.000 0.810 188 A HN 0.481 nan 8.150 nan 0.000 0.446 189 A N -1.368 121.404 122.820 -0.080 0.000 2.076 189 A HA -0.028 4.312 4.320 0.034 0.000 0.220 189 A C 1.626 178.992 177.584 -0.363 0.000 1.160 189 A CA 1.439 53.321 52.037 -0.257 0.000 0.653 189 A CB -0.698 18.054 19.000 -0.413 0.000 0.801 189 A HN 0.525 nan 8.150 nan 0.000 0.455 190 F N -1.512 118.390 119.950 -0.079 0.000 2.727 190 F HA 0.378 4.926 4.527 0.034 0.000 0.302 190 F C 1.810 177.622 175.800 0.020 0.000 1.097 190 F CA 0.586 58.557 58.000 -0.048 0.000 1.330 190 F CB 0.269 39.255 39.000 -0.024 0.000 1.084 190 F HN 0.336 nan 8.300 nan 0.000 0.578 191 G N 0.248 109.138 108.800 0.150 0.000 2.157 191 G HA2 -0.172 3.808 3.960 0.034 0.000 0.239 191 G HA3 -0.172 3.808 3.960 0.034 0.000 0.239 191 G C 0.621 175.591 174.900 0.117 0.000 0.982 191 G CA -0.286 44.879 45.100 0.108 0.000 0.650 191 G HN 0.710 nan 8.290 nan 0.000 0.527 192 G N -0.620 108.270 108.800 0.149 0.000 2.507 192 G HA2 0.480 4.461 3.960 0.034 0.000 0.271 192 G HA3 0.480 4.461 3.960 0.034 0.000 0.271 192 G C -0.825 174.125 174.900 0.082 0.000 1.189 192 G CA 0.187 45.360 45.100 0.122 0.000 0.859 192 G HN 0.181 nan 8.290 nan 0.000 0.542 193 D N 0.905 121.343 120.400 0.064 0.000 2.412 193 D HA 0.322 4.982 4.640 0.034 0.000 0.224 193 D C -1.367 174.963 176.300 0.050 0.000 1.093 193 D CA -2.295 51.725 54.000 0.034 0.000 0.850 193 D CB 2.043 42.845 40.800 0.003 0.000 1.046 193 D HN 0.006 nan 8.370 nan 0.000 0.507 194 P HA -0.039 nan 4.420 nan 0.000 0.233 194 P C 1.320 178.707 177.300 0.145 0.000 1.167 194 P CA 0.510 63.670 63.100 0.100 0.000 0.770 194 P CB 0.163 31.904 31.700 0.068 0.000 0.837 195 M N -1.237 118.378 119.600 0.025 0.000 2.619 195 M HA 0.067 4.568 4.480 0.034 0.000 0.251 195 M C 0.773 176.718 176.300 -0.592 0.000 1.106 195 M CA 0.836 56.053 55.300 -0.139 0.000 1.086 195 M CB -0.575 31.949 32.600 -0.127 0.000 1.465 195 M HN -0.095 nan 8.290 nan 0.000 0.506 196 S N 0.960 116.498 115.700 -0.270 0.000 2.383 196 S HA 0.470 4.960 4.470 0.034 0.000 0.196 196 S C -1.171 173.459 174.600 0.050 0.000 1.364 196 S CA -0.448 57.607 58.200 -0.241 0.000 1.212 196 S CB 0.602 63.705 63.200 -0.161 0.000 1.171 196 S HN -0.016 nan 8.310 nan 0.000 0.456 197 V N 4.428 124.528 119.914 0.309 0.000 2.443 197 V HA 0.507 4.647 4.120 0.034 0.000 0.293 197 V C -0.132 176.148 176.094 0.309 0.000 1.021 197 V CA -0.454 62.029 62.300 0.304 0.000 0.848 197 V CB 1.959 33.980 31.823 0.330 0.000 0.998 197 V HN 0.776 nan 8.190 nan 0.000 0.424 198 T N 6.792 121.473 114.554 0.211 0.000 2.756 198 T HA 0.570 4.940 4.350 0.034 0.000 0.290 198 T C -0.107 174.736 174.700 0.237 0.000 0.985 198 T CA -0.294 61.932 62.100 0.209 0.000 0.955 198 T CB 0.659 69.595 68.868 0.113 0.000 0.930 198 T HN 0.339 nan 8.240 nan 0.000 0.451 199 L N 4.864 126.199 121.223 0.186 0.000 2.371 199 L HA 0.636 4.996 4.340 0.034 0.000 0.272 199 L C -0.279 176.790 176.870 0.332 0.000 1.124 199 L CA -0.716 54.195 54.840 0.119 0.000 0.816 199 L CB 0.207 42.114 42.059 -0.254 0.000 1.129 199 L HN 0.626 nan 8.230 nan 0.000 0.448 200 F N 0.430 120.438 119.950 0.096 0.000 2.601 200 F HA 0.942 5.489 4.527 0.033 0.000 0.309 200 F C -0.352 175.434 175.800 -0.023 0.000 1.089 200 F CA -1.326 56.780 58.000 0.177 0.000 0.940 200 F CB 1.572 40.818 39.000 0.410 0.000 1.273 200 F HN 0.468 nan 8.300 nan 0.000 0.450 201 G N 1.379 110.064 108.800 -0.192 0.000 2.646 201 G HA2 0.511 4.491 3.960 0.034 0.000 0.291 201 G HA3 0.511 4.491 3.960 0.034 0.000 0.291 201 G C -2.540 172.157 174.900 -0.339 0.000 1.445 201 G CA -0.774 43.850 45.100 -0.794 0.000 0.814 201 G HN 0.870 nan 8.290 nan 0.000 0.495 202 E N 0.245 120.198 120.200 -0.413 0.000 2.317 202 E HA 0.649 5.019 4.350 0.034 0.000 0.270 202 E C 0.608 177.169 176.600 -0.064 0.000 0.885 202 E CA 0.191 56.577 56.400 -0.024 0.000 0.760 202 E CB 2.303 32.130 29.700 0.212 0.000 1.227 202 E HN 0.804 nan 8.360 nan 0.000 0.434 203 S N 2.047 117.792 115.700 0.075 0.000 4.059 203 S HA -0.391 4.100 4.470 0.034 0.000 0.624 203 S C 1.455 176.162 174.600 0.179 0.000 2.019 203 S CA 2.101 60.416 58.200 0.192 0.000 4.197 203 S CB -1.577 61.641 63.200 0.030 0.000 0.215 203 S HN 0.968 nan 8.310 nan 0.000 0.609 204 A N 0.944 123.737 122.820 -0.044 0.000 2.024 204 A HA 0.108 4.448 4.320 0.034 0.000 0.220 204 A C 2.447 179.768 177.584 -0.437 0.000 1.164 204 A CA 2.504 54.304 52.037 -0.394 0.000 0.643 204 A CB -1.562 16.774 19.000 -1.107 0.000 0.806 204 A HN 1.561 nan 8.150 nan 0.000 0.451 205 G N -0.546 108.056 108.800 -0.330 0.000 2.418 205 G HA2 0.012 3.993 3.960 0.034 0.000 0.217 205 G HA3 0.012 3.993 3.960 0.034 0.000 0.217 205 G C 1.727 176.458 174.900 -0.282 0.000 1.158 205 G CA 1.309 46.165 45.100 -0.408 0.000 0.771 205 G HN 0.780 nan 8.290 nan 0.000 0.545 206 A N 1.173 123.906 122.820 -0.146 0.000 1.902 206 A HA 0.284 4.624 4.320 0.034 0.000 0.217 206 A C 2.790 180.363 177.584 -0.019 0.000 1.181 206 A CA 2.204 54.218 52.037 -0.039 0.000 0.623 206 A CB -0.736 18.304 19.000 0.067 0.000 0.818 206 A HN 0.770 nan 8.150 nan 0.000 0.443 207 A N -0.608 122.218 122.820 0.011 0.000 1.969 207 A HA -0.008 4.332 4.320 0.034 0.000 0.218 207 A C 2.395 179.993 177.584 0.024 0.000 1.169 207 A CA 1.880 53.917 52.037 -0.001 0.000 0.635 207 A CB -0.681 18.317 19.000 -0.004 0.000 0.810 207 A HN 0.449 nan 8.150 nan 0.000 0.445 208 S N -0.283 115.424 115.700 0.011 0.000 2.355 208 S HA -0.128 4.362 4.470 0.034 0.000 0.222 208 S C 1.893 176.484 174.600 -0.014 0.000 1.031 208 S CA 1.380 59.561 58.200 -0.030 0.000 0.993 208 S CB -0.524 62.592 63.200 -0.141 0.000 0.859 208 S HN 0.344 nan 8.310 nan 0.000 0.453 209 V N 1.881 121.785 119.914 -0.016 0.000 2.332 209 V HA -0.198 3.942 4.120 0.034 0.000 0.248 209 V C 2.621 178.731 176.094 0.026 0.000 1.055 209 V CA 2.041 64.337 62.300 -0.005 0.000 1.038 209 V CB -1.510 30.277 31.823 -0.060 0.000 0.651 209 V HN 0.608 nan 8.190 nan 0.000 0.450 210 G N -1.214 107.590 108.800 0.006 0.000 2.432 210 G HA2 -0.258 3.723 3.960 0.034 0.000 0.219 210 G HA3 -0.258 3.723 3.960 0.034 0.000 0.219 210 G C 1.618 176.543 174.900 0.041 0.000 1.135 210 G CA 0.956 46.062 45.100 0.010 0.000 0.767 210 G HN 0.445 nan 8.290 nan 0.000 0.550 211 M N -0.236 119.369 119.600 0.009 0.000 2.254 211 M HA 0.033 4.533 4.480 0.034 0.000 0.265 211 M C 2.325 178.688 176.300 0.106 0.000 1.066 211 M CA 0.838 56.162 55.300 0.041 0.000 1.123 211 M CB -0.194 32.382 32.600 -0.040 0.000 1.388 211 M HN 0.214 nan 8.290 nan 0.000 0.425 212 H N -0.162 119.024 119.070 0.193 0.000 2.389 212 H HA -0.043 4.533 4.556 0.034 0.000 0.299 212 H C 2.126 177.651 175.328 0.329 0.000 1.081 212 H CA 1.504 57.673 56.048 0.202 0.000 1.345 212 H CB -0.353 29.395 29.762 -0.024 0.000 1.393 212 H HN 0.405 nan 8.280 nan 0.000 0.520 213 I N 0.786 121.612 120.570 0.427 0.000 2.286 213 I HA -0.237 3.953 4.170 0.034 0.000 0.248 213 I C 1.726 178.030 176.117 0.311 0.000 1.115 213 I CA 1.078 62.637 61.300 0.432 0.000 1.392 213 I CB -0.058 38.107 38.000 0.275 0.000 1.065 213 I HN 0.105 nan 8.210 nan 0.000 0.418 214 L N -0.886 120.472 121.223 0.226 0.000 2.628 214 L HA 0.146 4.506 4.340 0.034 0.000 0.229 214 L C 0.676 177.598 176.870 0.086 0.000 1.137 214 L CA 0.014 54.964 54.840 0.183 0.000 0.909 214 L CB 0.029 42.177 42.059 0.148 0.000 1.137 214 L HN -0.001 nan 8.230 nan 0.000 0.470 215 S N -0.272 115.449 115.700 0.035 0.000 2.659 215 S HA 0.405 4.895 4.470 0.034 0.000 0.312 215 S C 0.999 175.528 174.600 -0.118 0.000 1.114 215 S CA -0.652 57.459 58.200 -0.149 0.000 1.063 215 S CB 1.158 64.028 63.200 -0.551 0.000 0.996 215 S HN 0.157 nan 8.310 nan 0.000 0.478 216 L N 4.970 126.130 121.223 -0.106 0.000 2.012 216 L HA -0.043 4.317 4.340 0.034 0.000 0.210 216 L C -0.764 176.061 176.870 -0.075 0.000 1.073 216 L CA 1.507 56.303 54.840 -0.074 0.000 0.748 216 L CB -1.691 40.326 42.059 -0.070 0.000 0.891 216 L HN 0.490 nan 8.230 nan 0.000 0.431 217 P HA -0.108 nan 4.420 nan 0.000 0.219 217 P C 1.655 178.946 177.300 -0.016 0.000 1.146 217 P CA 1.172 64.231 63.100 -0.068 0.000 0.808 217 P CB 0.085 31.733 31.700 -0.087 0.000 0.779 218 S N -0.994 114.714 115.700 0.014 0.000 2.436 218 S HA -0.020 4.470 4.470 0.034 0.000 0.228 218 S C 1.862 176.592 174.600 0.216 0.000 1.014 218 S CA 0.553 58.871 58.200 0.198 0.000 0.950 218 S CB -0.413 63.044 63.200 0.428 0.000 0.784 218 S HN 0.074 nan 8.310 nan 0.000 0.504 219 R N 1.946 122.471 120.500 0.042 0.000 2.120 219 R HA -0.003 4.357 4.340 0.034 0.000 0.234 219 R C 2.278 178.383 176.300 -0.326 0.000 1.123 219 R CA 1.368 57.346 56.100 -0.203 0.000 0.975 219 R CB -1.064 29.146 30.300 -0.150 0.000 0.866 219 R HN 0.571 nan 8.270 nan 0.000 0.446 220 S N -0.143 115.459 115.700 -0.164 0.000 2.607 220 S HA 0.076 4.566 4.470 0.034 0.000 0.224 220 S C 1.676 176.186 174.600 -0.151 0.000 0.969 220 S CA 0.243 58.344 58.200 -0.165 0.000 0.927 220 S CB -0.127 63.024 63.200 -0.082 0.000 0.772 220 S HN 0.214 nan 8.310 nan 0.000 0.533 221 L N 0.496 121.676 121.223 -0.071 0.000 2.640 221 L HA 0.481 4.841 4.340 0.034 0.000 0.230 221 L C -0.034 176.906 176.870 0.117 0.000 1.123 221 L CA -0.322 54.545 54.840 0.045 0.000 0.900 221 L CB -0.099 42.037 42.059 0.129 0.000 1.146 221 L HN 0.506 nan 8.230 nan 0.000 0.484 222 F N -4.097 115.684 119.950 -0.282 0.000 2.773 222 F HA 0.423 4.970 4.527 0.034 0.000 0.314 222 F C 0.058 175.572 175.800 -0.477 0.000 1.160 222 F CA -1.127 56.701 58.000 -0.287 0.000 0.920 222 F CB 0.822 39.782 39.000 -0.068 0.000 1.323 222 F HN -0.119 nan 8.300 nan 0.000 0.457 223 H N -0.956 118.146 119.070 0.053 0.000 3.255 223 H HA 0.543 5.119 4.556 0.034 0.000 0.256 223 H C -0.245 175.095 175.328 0.020 0.000 1.049 223 H CA -0.191 55.818 56.048 -0.065 0.000 1.202 223 H CB 0.704 30.442 29.762 -0.040 0.000 1.497 223 H HN 0.428 nan 8.280 nan 0.000 0.503 224 R N 0.001 120.695 120.500 0.323 0.000 2.710 224 R HA 0.783 5.143 4.340 0.034 0.000 0.270 224 R C -1.609 174.953 176.300 0.436 0.000 1.021 224 R CA -0.794 55.463 56.100 0.262 0.000 0.889 224 R CB 2.518 32.792 30.300 -0.044 0.000 1.243 224 R HN 0.153 nan 8.270 nan 0.000 0.464 225 A N 1.065 124.151 122.820 0.443 0.000 2.549 225 A HA 0.728 5.068 4.320 0.034 0.000 0.297 225 A C -1.527 176.232 177.584 0.291 0.000 1.061 225 A CA -0.604 51.639 52.037 0.343 0.000 0.690 225 A CB 2.003 21.169 19.000 0.276 0.000 1.287 225 A HN 0.284 nan 8.150 nan 0.000 0.402 226 V N 1.719 121.761 119.914 0.212 0.000 2.525 226 V HA 0.507 4.647 4.120 0.034 0.000 0.299 226 V C -1.232 174.965 176.094 0.172 0.000 1.034 226 V CA -0.290 62.082 62.300 0.120 0.000 0.863 226 V CB 1.290 33.212 31.823 0.165 0.000 0.999 226 V HN 0.685 nan 8.190 nan 0.000 0.423 227 L N 5.074 126.369 121.223 0.120 0.000 2.316 227 L HA 0.545 4.905 4.340 0.034 0.000 0.280 227 L C -0.016 176.963 176.870 0.183 0.000 1.006 227 L CA 0.032 54.939 54.840 0.112 0.000 0.836 227 L CB 1.600 43.681 42.059 0.036 0.000 1.221 227 L HN 0.627 nan 8.230 nan 0.000 0.418 228 Q N 2.111 122.066 119.800 0.258 0.000 2.347 228 Q HA 0.450 4.811 4.340 0.034 0.000 0.262 228 Q C 0.118 176.278 176.000 0.266 0.000 0.980 228 Q CA -0.531 55.486 55.803 0.357 0.000 0.867 228 Q CB 1.418 30.451 28.738 0.492 0.000 1.242 228 Q HN 0.635 nan 8.270 nan 0.000 0.453 229 S N 0.935 116.781 115.700 0.244 0.000 3.641 229 S HA -0.162 4.328 4.470 0.034 0.000 0.346 229 S C 0.022 174.848 174.600 0.377 0.000 1.074 229 S CA 0.585 58.970 58.200 0.308 0.000 1.026 229 S CB -1.155 62.283 63.200 0.397 0.000 0.908 229 S HN 1.006 nan 8.310 nan 0.000 0.479 230 G N -0.567 108.396 108.800 0.273 0.000 2.519 230 G HA2 0.645 4.625 3.960 0.034 0.000 0.292 230 G HA3 0.645 4.625 3.960 0.034 0.000 0.292 230 G C -0.946 174.033 174.900 0.132 0.000 1.507 230 G CA 0.251 45.558 45.100 0.346 0.000 0.806 230 G HN 1.032 nan 8.290 nan 0.000 0.523 231 T N -1.470 113.094 114.554 0.017 0.000 2.853 231 T HA 0.735 5.105 4.350 0.034 0.000 0.311 231 T C -2.389 172.162 174.700 -0.250 0.000 1.307 231 T CA -1.164 60.866 62.100 -0.117 0.000 1.019 231 T CB 2.906 71.692 68.868 -0.136 0.000 1.264 231 T HN 0.298 nan 8.240 nan 0.000 0.497 232 P HA -0.031 nan 4.420 nan 0.000 0.216 232 P C 0.390 177.536 177.300 -0.257 0.000 1.153 232 P CA 0.801 63.782 63.100 -0.198 0.000 0.844 232 P CB -0.191 31.448 31.700 -0.102 0.000 0.787 233 N N 0.771 119.341 118.700 -0.216 0.000 2.317 233 N HA 0.256 5.016 4.740 0.034 0.000 0.245 233 N C 0.841 176.156 175.510 -0.326 0.000 1.294 233 N CA 0.803 53.723 53.050 -0.216 0.000 0.924 233 N CB -0.109 38.291 38.487 -0.145 0.000 1.186 233 N HN 0.267 nan 8.380 nan 0.000 0.495 234 G N -0.947 107.678 108.800 -0.292 0.000 2.525 234 G HA2 -0.116 3.864 3.960 0.034 0.000 0.685 234 G HA3 -0.116 3.864 3.960 0.034 0.000 0.685 234 G C -2.272 172.400 174.900 -0.380 0.000 1.290 234 G CA -0.213 44.668 45.100 -0.365 0.000 0.915 234 G HN 0.543 nan 8.290 nan 0.000 0.548 235 P HA 0.116 nan 4.420 nan 0.000 0.240 235 P C 1.381 178.624 177.300 -0.094 0.000 1.190 235 P CA 1.928 64.903 63.100 -0.208 0.000 0.781 235 P CB -0.031 31.516 31.700 -0.255 0.000 0.931 236 W N -1.700 119.515 121.300 -0.142 0.000 2.873 236 W HA 0.554 5.234 4.660 0.033 0.000 0.282 236 W C 1.088 177.686 176.519 0.131 0.000 1.118 236 W CA 0.447 57.787 57.345 -0.009 0.000 1.480 236 W CB -0.714 28.776 29.460 0.050 0.000 0.954 236 W HN -0.174 nan 8.180 nan 0.000 0.591 237 A N 1.955 124.478 122.820 -0.494 0.000 2.067 237 A HA 0.128 4.468 4.320 0.034 0.000 0.217 237 A C 1.215 178.651 177.584 -0.246 0.000 1.156 237 A CA 1.850 53.648 52.037 -0.398 0.000 0.683 237 A CB -0.775 17.732 19.000 -0.822 0.000 0.808 237 A HN 0.256 nan 8.150 nan 0.000 0.455 238 T N -3.437 110.987 114.554 -0.218 0.000 2.838 238 T HA 0.641 5.011 4.350 0.034 0.000 0.292 238 T C -0.656 173.974 174.700 -0.118 0.000 1.113 238 T CA -0.106 61.881 62.100 -0.188 0.000 1.008 238 T CB 1.430 70.192 68.868 -0.175 0.000 1.259 238 T HN 0.946 nan 8.240 nan 0.000 0.520 239 V N -1.375 118.476 119.914 -0.105 0.000 3.049 239 V HA 0.863 5.003 4.120 0.034 0.000 0.309 239 V C 0.175 176.232 176.094 -0.062 0.000 1.148 239 V CA -0.858 61.396 62.300 -0.076 0.000 0.990 239 V CB 1.296 33.076 31.823 -0.073 0.000 1.039 239 V HN 1.393 nan 8.190 nan 0.000 0.430 240 S N 2.005 117.674 115.700 -0.051 0.000 2.589 240 S HA 0.565 5.055 4.470 0.034 0.000 0.265 240 S C 1.458 176.040 174.600 -0.029 0.000 1.342 240 S CA 0.125 58.302 58.200 -0.038 0.000 1.005 240 S CB 1.200 64.378 63.200 -0.035 0.000 0.909 240 S HN 2.019 nan 8.310 nan 0.000 0.555 241 A N 2.131 124.940 122.820 -0.019 0.000 1.908 241 A HA 0.079 4.420 4.320 0.034 0.000 0.218 241 A C 2.251 179.827 177.584 -0.013 0.000 1.181 241 A CA 1.841 53.872 52.037 -0.010 0.000 0.627 241 A CB -1.891 17.107 19.000 -0.004 0.000 0.818 241 A HN 1.170 nan 8.150 nan 0.000 0.445 242 G N -0.506 108.283 108.800 -0.019 0.000 2.440 242 G HA2 -0.277 3.703 3.960 0.034 0.000 0.218 242 G HA3 -0.277 3.703 3.960 0.034 0.000 0.218 242 G C 1.483 176.367 174.900 -0.027 0.000 1.154 242 G CA 1.450 46.537 45.100 -0.021 0.000 0.767 242 G HN 0.586 nan 8.290 nan 0.000 0.552 243 E N 0.856 121.035 120.200 -0.035 0.000 2.107 243 E HA 0.133 4.504 4.350 0.034 0.000 0.191 243 E C 2.626 179.196 176.600 -0.050 0.000 0.982 243 E CA 1.284 57.654 56.400 -0.049 0.000 0.809 243 E CB -0.498 29.166 29.700 -0.060 0.000 0.756 243 E HN 0.281 nan 8.360 nan 0.000 0.459 244 A N 0.791 123.593 122.820 -0.030 0.000 1.898 244 A HA -0.152 4.188 4.320 0.034 0.000 0.216 244 A C 2.272 179.869 177.584 0.021 0.000 1.181 244 A CA 1.636 53.673 52.037 0.000 0.000 0.620 244 A CB -0.570 18.447 19.000 0.027 0.000 0.819 244 A HN 0.258 nan 8.150 nan 0.000 0.442 245 R N -0.525 119.977 120.500 0.003 0.000 2.073 245 R HA -0.139 4.222 4.340 0.034 0.000 0.234 245 R C 2.473 178.772 176.300 -0.002 0.000 1.134 245 R CA 1.634 57.733 56.100 -0.001 0.000 0.952 245 R CB -0.316 29.979 30.300 -0.009 0.000 0.850 245 R HN 0.500 nan 8.270 nan 0.000 0.433 246 R N 0.502 120.993 120.500 -0.015 0.000 2.073 246 R HA -0.130 4.230 4.340 0.034 0.000 0.234 246 R C 2.164 178.454 176.300 -0.016 0.000 1.134 246 R CA 1.794 57.881 56.100 -0.022 0.000 0.952 246 R CB -0.104 30.174 30.300 -0.037 0.000 0.850 246 R HN 0.278 nan 8.270 nan 0.000 0.433 247 R N -0.326 120.159 120.500 -0.026 0.000 2.090 247 R HA -0.020 4.340 4.340 0.034 0.000 0.228 247 R C 2.328 178.713 176.300 0.141 0.000 1.110 247 R CA 1.157 57.241 56.100 -0.027 0.000 0.973 247 R CB -0.246 29.922 30.300 -0.220 0.000 0.869 247 R HN 0.233 nan 8.270 nan 0.000 0.440 248 A N 0.849 123.770 122.820 0.168 0.000 1.873 248 A HA -0.175 4.165 4.320 0.034 0.000 0.215 248 A C 2.301 179.908 177.584 0.038 0.000 1.186 248 A CA 2.039 54.164 52.037 0.146 0.000 0.616 248 A CB -0.894 18.133 19.000 0.044 0.000 0.823 248 A HN 0.469 nan 8.150 nan 0.000 0.442 249 T N -2.231 112.331 114.554 0.014 0.000 2.951 249 T HA -0.053 4.317 4.350 0.034 0.000 0.268 249 T C 1.733 176.432 174.700 -0.002 0.000 1.073 249 T CA 1.363 63.457 62.100 -0.009 0.000 1.134 249 T CB -0.334 68.524 68.868 -0.016 0.000 0.884 249 T HN 0.205 nan 8.240 nan 0.000 0.479 250 L N 0.428 121.658 121.223 0.013 0.000 2.093 250 L HA 0.307 4.667 4.340 0.034 0.000 0.208 250 L C 2.235 179.119 176.870 0.023 0.000 1.085 250 L CA 1.368 56.214 54.840 0.009 0.000 0.755 250 L CB -0.989 41.072 42.059 0.004 0.000 0.904 250 L HN 0.359 nan 8.230 nan 0.000 0.435 251 L N -0.413 120.855 121.223 0.076 0.000 2.093 251 L HA -0.029 4.331 4.340 0.034 0.000 0.208 251 L C 2.472 179.342 176.870 -0.001 0.000 1.085 251 L CA 1.742 56.633 54.840 0.084 0.000 0.755 251 L CB -0.695 41.464 42.059 0.167 0.000 0.904 251 L HN 0.272 nan 8.230 nan 0.000 0.435 252 A N -0.351 122.459 122.820 -0.017 0.000 1.877 252 A HA -0.259 4.082 4.320 0.034 0.000 0.216 252 A C 2.501 180.061 177.584 -0.041 0.000 1.186 252 A CA 1.843 53.859 52.037 -0.035 0.000 0.620 252 A CB -0.687 18.288 19.000 -0.041 0.000 0.822 252 A HN 0.465 nan 8.150 nan 0.000 0.443 253 R N -0.560 119.915 120.500 -0.041 0.000 2.103 253 R HA -0.102 4.258 4.340 0.034 0.000 0.242 253 R C 1.940 178.187 176.300 -0.087 0.000 1.142 253 R CA 1.604 57.674 56.100 -0.049 0.000 0.960 253 R CB -0.390 29.886 30.300 -0.040 0.000 0.858 253 R HN 0.564 nan 8.270 nan 0.000 0.439 254 L N 0.280 121.421 121.223 -0.137 0.000 2.217 254 L HA -0.075 4.285 4.340 0.034 0.000 0.211 254 L C 1.790 178.428 176.870 -0.387 0.000 1.107 254 L CA 0.594 55.247 54.840 -0.313 0.000 0.783 254 L CB 0.097 41.900 42.059 -0.427 0.000 0.919 254 L HN 0.174 nan 8.230 nan 0.000 0.442 255 V N -3.978 115.824 119.914 -0.187 0.000 3.444 255 V HA 0.511 4.651 4.120 0.034 0.000 0.308 255 V C 1.032 177.117 176.094 -0.015 0.000 1.371 255 V CA 0.202 62.467 62.300 -0.058 0.000 1.141 255 V CB -0.246 31.596 31.823 0.031 0.000 1.037 255 V HN 0.412 nan 8.190 nan 0.000 0.433 256 G N -0.369 108.411 108.800 -0.034 0.000 2.165 256 G HA2 -0.203 3.777 3.960 0.034 0.000 0.226 256 G HA3 -0.203 3.777 3.960 0.034 0.000 0.226 256 G C -0.104 174.793 174.900 -0.006 0.000 1.035 256 G CA -0.089 45.004 45.100 -0.012 0.000 0.744 256 G HN 0.717 nan 8.290 nan 0.000 0.501 257 c N 1.114 119.707 118.600 -0.013 0.000 2.408 257 c HA 0.815 5.406 4.570 0.034 0.000 0.321 257 c C -1.490 172.592 174.090 -0.014 0.000 1.245 257 c CA -1.138 55.187 56.329 -0.007 0.000 1.523 257 c CB 1.850 44.357 42.510 -0.005 0.000 2.178 257 c HN 0.482 nan 8.230 nan 0.000 0.488 266 D N 0.125 120.520 120.400 -0.008 0.000 2.117 266 D HA -0.082 4.578 4.640 0.034 0.000 0.197 266 D C 1.049 177.344 176.300 -0.008 0.000 0.987 266 D CA 2.196 56.187 54.000 -0.014 0.000 0.829 266 D CB -0.419 40.373 40.800 -0.013 0.000 0.961 266 D HN 0.724 nan 8.370 nan 0.000 0.460 267 T N 1.076 115.631 114.554 0.002 0.000 2.684 267 T HA -0.158 4.212 4.350 0.034 0.000 0.267 267 T C 1.848 176.556 174.700 0.014 0.000 1.036 267 T CA 1.235 63.343 62.100 0.012 0.000 1.148 267 T CB -0.217 68.659 68.868 0.014 0.000 0.863 267 T HN 0.272 nan 8.240 nan 0.000 0.436 268 E N 0.448 120.653 120.200 0.008 0.000 2.051 268 E HA -0.076 4.294 4.350 0.034 0.000 0.192 268 E C 2.205 178.810 176.600 0.008 0.000 0.991 268 E CA 0.856 57.261 56.400 0.009 0.000 0.799 268 E CB -0.270 29.433 29.700 0.005 0.000 0.748 268 E HN 0.347 nan 8.360 nan 0.000 0.449 269 L N 0.618 121.839 121.223 -0.004 0.000 2.046 269 L HA -0.200 4.160 4.340 0.034 0.000 0.208 269 L C 2.206 179.068 176.870 -0.014 0.000 1.077 269 L CA 1.226 56.057 54.840 -0.015 0.000 0.747 269 L CB -0.054 41.985 42.059 -0.032 0.000 0.896 269 L HN 0.135 nan 8.230 nan 0.000 0.432 270 I N -0.431 120.132 120.570 -0.012 0.000 2.353 270 I HA -0.204 3.986 4.170 0.034 0.000 0.248 270 I C 2.647 178.823 176.117 0.098 0.000 1.119 270 I CA 1.018 62.328 61.300 0.016 0.000 1.417 270 I CB -0.397 37.611 38.000 0.013 0.000 1.078 270 I HN 0.294 nan 8.210 nan 0.000 0.421 271 A N -0.482 122.377 122.820 0.066 0.000 1.940 271 A HA -0.313 4.027 4.320 0.034 0.000 0.219 271 A C 2.500 180.123 177.584 0.066 0.000 1.176 271 A CA 2.074 54.150 52.037 0.066 0.000 0.631 271 A CB -1.342 17.683 19.000 0.043 0.000 0.814 271 A HN 0.630 nan 8.150 nan 0.000 0.446 272 c N -0.878 117.754 118.600 0.053 0.000 2.486 272 c HA 0.148 4.739 4.570 0.034 0.000 0.279 272 c C 2.519 176.650 174.090 0.068 0.000 1.302 272 c CA 0.791 57.148 56.329 0.047 0.000 1.720 272 c CB -1.488 41.038 42.510 0.028 0.000 2.030 272 c HN 0.578 nan 8.230 nan 0.000 0.490 273 L N 0.571 121.847 121.223 0.088 0.000 2.129 273 L HA -0.152 4.208 4.340 0.034 0.000 0.212 273 L C 2.982 179.980 176.870 0.215 0.000 1.087 273 L CA 1.549 56.478 54.840 0.149 0.000 0.757 273 L CB -0.640 41.502 42.059 0.138 0.000 0.896 273 L HN 0.393 nan 8.230 nan 0.000 0.434 274 R N -0.651 119.968 120.500 0.198 0.000 2.189 274 R HA -0.101 4.259 4.340 0.034 0.000 0.218 274 R C 2.154 178.482 176.300 0.047 0.000 1.074 274 R CA 1.636 57.797 56.100 0.102 0.000 0.991 274 R CB -0.261 30.090 30.300 0.086 0.000 0.883 274 R HN 0.497 nan 8.270 nan 0.000 0.457 275 T N -1.583 113.003 114.554 0.054 0.000 3.113 275 T HA 0.101 4.471 4.350 0.034 0.000 0.256 275 T C 0.910 175.631 174.700 0.035 0.000 1.131 275 T CA -0.020 62.101 62.100 0.035 0.000 1.074 275 T CB 0.154 69.042 68.868 0.034 0.000 0.944 275 T HN -0.145 nan 8.240 nan 0.000 0.516 276 R N 2.650 123.179 120.500 0.048 0.000 2.308 276 R HA 0.399 4.759 4.340 0.034 0.000 0.305 276 R C -2.705 173.616 176.300 0.036 0.000 1.053 276 R CA -2.545 53.584 56.100 0.050 0.000 0.957 276 R CB 0.309 30.650 30.300 0.068 0.000 1.022 276 R HN 0.247 nan 8.270 nan 0.000 0.461 277 P HA -0.055 nan 4.420 nan 0.000 0.265 277 P C 0.336 177.627 177.300 -0.014 0.000 1.187 277 P CA 0.283 63.379 63.100 -0.006 0.000 0.766 277 P CB 0.558 32.263 31.700 0.008 0.000 0.820 278 A N 2.914 125.659 122.820 -0.125 0.000 1.917 278 A HA -0.285 4.055 4.320 0.034 0.000 0.219 278 A C 2.140 179.677 177.584 -0.078 0.000 1.182 278 A CA 2.005 53.951 52.037 -0.152 0.000 0.633 278 A CB -1.179 17.271 19.000 -0.918 0.000 0.819 278 A HN 0.543 nan 8.150 nan 0.000 0.448 279 Q N 0.041 119.772 119.800 -0.114 0.000 2.224 279 Q HA -0.135 4.225 4.340 0.034 0.000 0.203 279 Q C 1.223 177.325 176.000 0.170 0.000 0.970 279 Q CA 1.793 57.689 55.803 0.154 0.000 0.865 279 Q CB -0.357 28.505 28.738 0.206 0.000 0.922 279 Q HN 0.640 nan 8.270 nan 0.000 0.445 280 D N -0.561 119.914 120.400 0.125 0.000 2.123 280 D HA -0.159 4.501 4.640 0.034 0.000 0.196 280 D C 1.495 177.913 176.300 0.197 0.000 0.992 280 D CA 0.859 54.955 54.000 0.159 0.000 0.833 280 D CB -0.063 40.819 40.800 0.136 0.000 0.954 280 D HN 0.228 nan 8.370 nan 0.000 0.455 281 L N 0.304 121.617 121.223 0.149 0.000 2.056 281 L HA -0.101 4.259 4.340 0.034 0.000 0.207 281 L C 2.495 179.459 176.870 0.157 0.000 1.078 281 L CA 0.898 55.796 54.840 0.096 0.000 0.749 281 L CB -0.900 41.101 42.059 -0.097 0.000 0.901 281 L HN -0.036 nan 8.230 nan 0.000 0.433 282 V N -0.612 119.452 119.914 0.249 0.000 2.427 282 V HA -0.235 3.906 4.120 0.034 0.000 0.248 282 V C 2.125 178.364 176.094 0.242 0.000 1.051 282 V CA 1.379 63.874 62.300 0.323 0.000 1.048 282 V CB -0.556 31.565 31.823 0.498 0.000 0.666 282 V HN 0.350 nan 8.190 nan 0.000 0.456 283 D N -0.810 119.704 120.400 0.190 0.000 2.190 283 D HA -0.158 4.502 4.640 0.034 0.000 0.200 283 D C 1.903 178.157 176.300 -0.077 0.000 0.992 283 D CA 1.368 55.401 54.000 0.056 0.000 0.854 283 D CB -0.134 40.653 40.800 -0.023 0.000 0.936 283 D HN 0.508 nan 8.370 nan 0.000 0.462 284 H N -0.966 118.196 119.070 0.153 0.000 2.893 284 H HA 0.137 4.713 4.556 0.034 0.000 0.270 284 H C 1.518 176.909 175.328 0.105 0.000 1.095 284 H CA -0.027 56.129 56.048 0.181 0.000 1.186 284 H CB 0.706 30.612 29.762 0.239 0.000 1.562 284 H HN 0.274 nan 8.280 nan 0.000 0.536 285 E N 0.596 120.931 120.200 0.225 0.000 2.114 285 E HA -0.237 4.133 4.350 0.034 0.000 0.199 285 E C 1.682 178.421 176.600 0.232 0.000 1.008 285 E CA 1.390 57.977 56.400 0.311 0.000 0.810 285 E CB -0.033 29.834 29.700 0.278 0.000 0.739 285 E HN 0.359 nan 8.360 nan 0.000 0.456 286 W N 0.625 121.807 121.300 -0.197 0.000 2.519 286 W HA -0.036 4.644 4.660 0.033 0.000 0.266 286 W C 1.338 177.748 176.519 -0.182 0.000 1.253 286 W CA 1.414 58.597 57.345 -0.269 0.000 1.274 286 W CB -0.159 29.048 29.460 -0.422 0.000 1.114 286 W HN 0.253 nan 8.180 nan 0.000 0.596 287 H N -1.046 118.058 119.070 0.056 0.000 2.556 287 H HA -0.016 4.560 4.556 0.034 0.000 0.268 287 H C 1.925 177.181 175.328 -0.121 0.000 0.996 287 H CA 1.002 57.007 56.048 -0.073 0.000 1.157 287 H CB -0.068 29.756 29.762 0.103 0.000 1.355 287 H HN 0.109 nan 8.280 nan 0.000 0.597 288 V N -1.684 118.206 119.914 -0.041 0.000 3.647 288 V HA 0.169 4.309 4.120 0.034 0.000 0.279 288 V C 0.523 176.505 176.094 -0.188 0.000 1.314 288 V CA -0.128 62.122 62.300 -0.083 0.000 1.125 288 V CB -0.547 31.245 31.823 -0.052 0.000 0.907 288 V HN 0.137 nan 8.190 nan 0.000 0.434 289 L N 2.286 123.348 121.223 -0.269 0.000 2.426 289 L HA 0.284 4.644 4.340 0.034 0.000 0.271 289 L C -0.401 176.340 176.870 -0.216 0.000 1.169 289 L CA -1.116 53.560 54.840 -0.274 0.000 0.836 289 L CB 0.961 42.798 42.059 -0.369 0.000 1.112 289 L HN 0.136 nan 8.230 nan 0.000 0.465 290 P HA -0.059 nan 4.420 nan 0.000 0.225 290 P C -0.297 176.931 177.300 -0.121 0.000 1.156 290 P CA 0.957 63.981 63.100 -0.126 0.000 0.787 290 P CB 0.495 32.134 31.700 -0.101 0.000 0.802 291 Q N -1.267 118.449 119.800 -0.139 0.000 2.456 291 Q HA 0.314 4.674 4.340 0.034 0.000 0.284 291 Q C -0.734 175.177 176.000 -0.148 0.000 1.061 291 Q CA -0.734 54.999 55.803 -0.118 0.000 0.799 291 Q CB 1.684 30.373 28.738 -0.082 0.000 1.445 291 Q HN -0.069 nan 8.270 nan 0.000 0.411 292 E N 0.959 121.092 120.200 -0.111 0.000 2.465 292 E HA 0.268 4.638 4.350 0.034 0.000 0.260 292 E C -1.058 175.511 176.600 -0.052 0.000 0.980 292 E CA 0.258 56.609 56.400 -0.081 0.000 0.927 292 E CB 0.346 30.032 29.700 -0.023 0.000 0.934 292 E HN 0.574 nan 8.360 nan 0.000 0.459 293 S N 3.546 119.229 115.700 -0.029 0.000 2.578 293 S HA 0.535 5.026 4.470 0.034 0.000 0.272 293 S C -0.526 174.079 174.600 0.009 0.000 1.145 293 S CA -1.062 57.123 58.200 -0.026 0.000 0.835 293 S CB 0.536 63.690 63.200 -0.077 0.000 1.104 293 S HN 0.541 nan 8.310 nan 0.000 0.458 294 I N -2.196 118.361 120.570 -0.021 0.000 2.910 294 I HA 0.802 4.992 4.170 0.034 0.000 0.310 294 I C -0.109 175.916 176.117 -0.153 0.000 1.043 294 I CA -1.235 60.038 61.300 -0.045 0.000 1.053 294 I CB 0.839 38.845 38.000 0.010 0.000 1.242 294 I HN 0.764 nan 8.210 nan 0.000 0.452 295 F N 1.650 121.298 119.950 -0.503 0.000 3.067 295 F HA -0.195 4.351 4.527 0.033 0.000 0.279 295 F C -0.197 175.048 175.800 -0.925 0.000 0.945 295 F CA 0.745 58.199 58.000 -0.910 0.000 0.948 295 F CB -0.621 37.770 39.000 -1.014 0.000 0.898 295 F HN 0.550 nan 8.300 nan 0.000 0.746 296 R N 0.284 120.297 120.500 -0.811 0.000 2.673 296 R HA 0.646 5.006 4.340 0.034 0.000 0.281 296 R C -1.057 174.771 176.300 -0.788 0.000 0.991 296 R CA -0.624 55.078 56.100 -0.664 0.000 0.896 296 R CB 1.516 31.661 30.300 -0.258 0.000 1.201 296 R HN -0.015 nan 8.270 nan 0.000 0.457 297 F N -0.786 119.246 119.950 0.137 0.000 2.565 297 F HA 0.348 4.895 4.527 0.033 0.000 0.313 297 F C 1.413 177.237 175.800 0.040 0.000 1.091 297 F CA -0.810 57.280 58.000 0.150 0.000 0.915 297 F CB 2.016 41.203 39.000 0.312 0.000 1.208 297 F HN 0.361 nan 8.300 nan 0.000 0.453 298 S N 0.728 116.517 115.700 0.148 0.000 2.387 298 S HA 0.053 4.543 4.470 0.034 0.000 0.226 298 S C -0.107 174.128 174.600 -0.607 0.000 1.026 298 S CA 1.051 59.083 58.200 -0.280 0.000 0.972 298 S CB -0.170 62.856 63.200 -0.290 0.000 0.814 298 S HN 0.359 nan 8.310 nan 0.000 0.477 299 F N 1.488 121.573 119.950 0.225 0.000 2.513 299 F HA 0.509 5.057 4.527 0.034 0.000 0.358 299 F C -0.107 175.775 175.800 0.137 0.000 1.118 299 F CA -1.056 57.066 58.000 0.203 0.000 1.037 299 F CB 1.298 40.452 39.000 0.257 0.000 1.276 299 F HN -0.126 nan 8.300 nan 0.000 0.446 300 V N 0.450 120.375 119.914 0.017 0.000 3.155 300 V HA 0.792 4.932 4.120 0.034 0.000 0.313 300 V C -2.856 172.894 176.094 -0.574 0.000 1.162 300 V CA -3.373 58.623 62.300 -0.507 0.000 1.048 300 V CB 2.032 33.722 31.823 -0.222 0.000 1.092 300 V HN 0.230 nan 8.190 nan 0.000 0.447 301 P HA 0.184 nan 4.420 nan 0.000 0.265 301 P C -0.729 176.430 177.300 -0.235 0.000 1.187 301 P CA 0.398 63.208 63.100 -0.484 0.000 0.766 301 P CB 0.648 31.973 31.700 -0.626 0.000 0.820 302 V N 4.679 124.535 119.914 -0.098 0.000 2.581 302 V HA 0.248 4.388 4.120 0.034 0.000 0.303 302 V C -0.381 175.693 176.094 -0.033 0.000 1.041 302 V CA -0.901 61.369 62.300 -0.050 0.000 0.907 302 V CB 2.126 33.952 31.823 0.005 0.000 0.994 302 V HN 0.127 nan 8.190 nan 0.000 0.442 303 V N 7.247 127.143 119.914 -0.030 0.000 2.352 303 V HA 0.193 4.333 4.120 0.034 0.000 0.253 303 V C 0.710 176.810 176.094 0.009 0.000 1.083 303 V CA 0.272 62.567 62.300 -0.008 0.000 0.993 303 V CB 0.327 32.138 31.823 -0.020 0.000 1.111 303 V HN 1.067 nan 8.190 nan 0.000 0.490 304 D N 2.704 123.123 120.400 0.032 0.000 2.367 304 D HA 0.134 4.794 4.640 0.034 0.000 0.207 304 D C 1.583 177.907 176.300 0.039 0.000 1.034 304 D CA 0.773 54.796 54.000 0.039 0.000 0.861 304 D CB 0.429 41.264 40.800 0.059 0.000 0.943 304 D HN 0.661 nan 8.370 nan 0.000 0.515 305 G N 0.590 109.414 108.800 0.040 0.000 2.179 305 G HA2 -0.337 3.643 3.960 0.034 0.000 0.260 305 G HA3 -0.337 3.643 3.960 0.034 0.000 0.260 305 G C 0.530 175.455 174.900 0.042 0.000 0.977 305 G CA 0.752 45.872 45.100 0.033 0.000 0.641 305 G HN 0.534 nan 8.290 nan 0.000 0.533 306 D N -1.371 119.071 120.400 0.069 0.000 2.949 306 D HA 0.282 4.943 4.640 0.034 0.000 0.247 306 D C 1.829 178.192 176.300 0.106 0.000 1.552 306 D CA 0.416 54.463 54.000 0.078 0.000 1.231 306 D CB -0.536 40.318 40.800 0.091 0.000 0.990 306 D HN 0.074 nan 8.370 nan 0.000 0.270 307 F N 1.042 121.001 119.950 0.015 0.000 2.091 307 F HA 0.106 4.653 4.527 0.034 0.000 0.299 307 F C 0.598 176.398 175.800 0.000 0.000 1.103 307 F CA 1.254 59.262 58.000 0.012 0.000 1.228 307 F CB 0.072 39.078 39.000 0.010 0.000 0.984 307 F HN -0.010 nan 8.300 nan 0.000 0.477 308 L N 0.826 122.225 121.223 0.294 0.000 2.277 308 L HA 0.192 4.552 4.340 0.034 0.000 0.284 308 L C 1.340 178.257 176.870 0.078 0.000 1.028 308 L CA -0.141 54.796 54.840 0.161 0.000 0.835 308 L CB 1.299 43.433 42.059 0.126 0.000 1.215 308 L HN 0.090 nan 8.230 nan 0.000 0.425 309 S N 0.410 116.136 115.700 0.044 0.000 2.481 309 S HA 0.014 4.504 4.470 0.034 0.000 0.231 309 S C 0.464 175.073 174.600 0.016 0.000 0.996 309 S CA 0.372 58.585 58.200 0.022 0.000 0.942 309 S CB 0.206 63.408 63.200 0.004 0.000 0.768 309 S HN 0.705 nan 8.310 nan 0.000 0.520 310 D N 0.154 120.564 120.400 0.017 0.000 2.825 310 D HA 0.284 4.944 4.640 0.034 0.000 0.327 310 D C -0.866 175.436 176.300 0.004 0.000 1.277 310 D CA 0.049 54.053 54.000 0.007 0.000 0.950 310 D CB 1.438 42.240 40.800 0.003 0.000 1.438 310 D HN 0.256 nan 8.370 nan 0.000 0.526 311 T N -0.973 113.576 114.554 -0.008 0.000 2.900 311 T HA 0.251 4.621 4.350 0.034 0.000 0.307 311 T C -1.822 172.870 174.700 -0.014 0.000 1.065 311 T CA -0.780 61.307 62.100 -0.021 0.000 1.105 311 T CB 1.110 69.958 68.868 -0.032 0.000 0.979 311 T HN 0.079 nan 8.240 nan 0.000 0.544 312 P HA -0.107 nan 4.420 nan 0.000 0.216 312 P C 1.337 178.630 177.300 -0.011 0.000 1.150 312 P CA 1.113 64.199 63.100 -0.022 0.000 0.843 312 P CB 0.071 31.729 31.700 -0.070 0.000 0.787 313 E N -0.467 119.716 120.200 -0.029 0.000 2.051 313 E HA -0.150 4.221 4.350 0.034 0.000 0.192 313 E C 2.174 178.778 176.600 0.006 0.000 0.991 313 E CA 1.616 58.005 56.400 -0.019 0.000 0.799 313 E CB -1.098 28.583 29.700 -0.032 0.000 0.748 313 E HN 0.129 nan 8.360 nan 0.000 0.449 314 A N 0.280 123.102 122.820 0.004 0.000 1.972 314 A HA -0.141 4.199 4.320 0.034 0.000 0.219 314 A C 2.134 179.735 177.584 0.029 0.000 1.169 314 A CA 1.107 53.151 52.037 0.011 0.000 0.635 314 A CB -0.513 18.488 19.000 0.001 0.000 0.810 314 A HN 0.192 nan 8.150 nan 0.000 0.446 315 L N -0.289 120.961 121.223 0.044 0.000 2.131 315 L HA -0.046 4.315 4.340 0.034 0.000 0.206 315 L C 2.518 179.484 176.870 0.160 0.000 1.087 315 L CA 1.214 56.099 54.840 0.075 0.000 0.767 315 L CB -0.459 41.650 42.059 0.084 0.000 0.917 315 L HN 0.647 nan 8.230 nan 0.000 0.441 316 I N -3.034 117.640 120.570 0.172 0.000 2.546 316 I HA -0.105 4.085 4.170 0.034 0.000 0.255 316 I C 1.849 178.099 176.117 0.222 0.000 1.163 316 I CA 1.127 62.587 61.300 0.267 0.000 1.457 316 I CB -0.396 37.663 38.000 0.098 0.000 1.092 316 I HN 0.170 nan 8.210 nan 0.000 0.434 317 N N 1.485 120.253 118.700 0.113 0.000 2.270 317 N HA -0.097 4.663 4.740 0.034 0.000 0.181 317 N C 1.841 177.387 175.510 0.059 0.000 1.016 317 N CA 2.067 55.163 53.050 0.078 0.000 0.870 317 N CB -0.284 38.228 38.487 0.041 0.000 0.979 317 N HN 0.668 nan 8.380 nan 0.000 0.431 318 T N -3.610 110.965 114.554 0.036 0.000 3.044 318 T HA 0.309 4.679 4.350 0.034 0.000 0.260 318 T C 0.955 175.601 174.700 -0.091 0.000 1.019 318 T CA -0.402 61.688 62.100 -0.017 0.000 0.921 318 T CB 0.041 68.894 68.868 -0.025 0.000 1.053 318 T HN 0.038 nan 8.240 nan 0.000 0.533 319 G N 0.905 109.622 108.800 -0.138 0.000 2.527 319 G HA2 0.397 4.377 3.960 0.034 0.000 0.248 319 G HA3 0.397 4.377 3.960 0.034 0.000 0.248 319 G C -1.041 173.454 174.900 -0.674 0.000 1.231 319 G CA -0.406 44.375 45.100 -0.532 0.000 0.838 319 G HN 0.300 nan 8.290 nan 0.000 0.570 320 D N 0.448 120.422 120.400 -0.710 0.000 2.412 320 D HA 0.332 4.992 4.640 0.034 0.000 0.224 320 D C -0.436 175.541 176.300 -0.539 0.000 1.093 320 D CA -0.681 53.041 54.000 -0.464 0.000 0.850 320 D CB 0.438 41.095 40.800 -0.238 0.000 1.046 320 D HN 0.097 nan 8.370 nan 0.000 0.507 321 F N 2.270 122.222 119.950 0.003 0.000 2.925 321 F HA 0.223 4.771 4.527 0.034 0.000 0.302 321 F C 2.013 177.817 175.800 0.006 0.000 1.189 321 F CA -0.415 57.589 58.000 0.007 0.000 1.346 321 F CB 0.305 39.318 39.000 0.021 0.000 0.954 321 F HN 0.343 nan 8.300 nan 0.000 0.506 322 Q N 0.129 119.981 119.800 0.086 0.000 2.084 322 Q HA -0.171 4.189 4.340 0.034 0.000 0.202 322 Q C 0.310 176.348 176.000 0.062 0.000 0.978 322 Q CA 1.586 57.425 55.803 0.062 0.000 0.844 322 Q CB -0.091 28.658 28.738 0.018 0.000 0.898 322 Q HN 0.433 nan 8.270 nan 0.000 0.426 323 D N -0.001 120.429 120.400 0.051 0.000 2.722 323 D HA 0.184 4.844 4.640 0.034 0.000 0.239 323 D C -1.074 175.255 176.300 0.049 0.000 1.249 323 D CA -0.020 54.002 54.000 0.037 0.000 0.830 323 D CB 0.271 41.078 40.800 0.011 0.000 1.025 323 D HN -0.059 nan 8.370 nan 0.000 0.486 324 L N 0.756 122.032 121.223 0.088 0.000 2.346 324 L HA 0.503 4.863 4.340 0.034 0.000 0.274 324 L C -1.156 175.783 176.870 0.116 0.000 1.007 324 L CA -0.525 54.378 54.840 0.105 0.000 0.818 324 L CB 1.776 43.931 42.059 0.160 0.000 1.284 324 L HN -0.148 nan 8.230 nan 0.000 0.424 325 Q N 3.107 122.991 119.800 0.140 0.000 2.337 325 Q HA 0.804 5.164 4.340 0.034 0.000 0.266 325 Q C -1.509 174.721 176.000 0.383 0.000 1.023 325 Q CA -0.568 55.371 55.803 0.227 0.000 0.829 325 Q CB 2.752 31.590 28.738 0.167 0.000 1.306 325 Q HN 0.461 nan 8.270 nan 0.000 0.449 326 V N 2.395 122.519 119.914 0.351 0.000 2.686 326 V HA 0.450 4.590 4.120 0.034 0.000 0.306 326 V C -1.457 174.611 176.094 -0.044 0.000 1.065 326 V CA -0.825 61.599 62.300 0.207 0.000 0.894 326 V CB 1.970 33.824 31.823 0.052 0.000 1.004 326 V HN 0.614 nan 8.190 nan 0.000 0.424 327 L N 6.674 127.661 121.223 -0.392 0.000 2.296 327 L HA 0.891 5.252 4.340 0.034 0.000 0.286 327 L C -0.429 176.330 176.870 -0.185 0.000 1.023 327 L CA -0.076 54.446 54.840 -0.530 0.000 0.812 327 L CB 1.617 42.931 42.059 -1.241 0.000 1.223 327 L HN 0.633 nan 8.230 nan 0.000 0.421 328 V N 2.137 122.003 119.914 -0.080 0.000 2.962 328 V HA 1.123 5.263 4.120 0.034 0.000 0.313 328 V C -0.187 175.699 176.094 -0.348 0.000 1.099 328 V CA 0.206 62.444 62.300 -0.103 0.000 0.971 328 V CB 1.113 32.840 31.823 -0.159 0.000 1.028 328 V HN 1.028 nan 8.190 nan 0.000 0.430 329 G N 0.948 109.395 108.800 -0.588 0.000 2.489 329 G HA2 0.815 4.795 3.960 0.034 0.000 0.305 329 G HA3 0.815 4.795 3.960 0.034 0.000 0.305 329 G C -1.150 173.474 174.900 -0.460 0.000 1.311 329 G CA 0.091 44.487 45.100 -1.174 0.000 0.813 329 G HN 2.117 nan 8.290 nan 0.000 0.480 330 V N -2.413 117.357 119.914 -0.241 0.000 3.188 330 V HA 0.902 5.042 4.120 0.034 0.000 0.305 330 V C 0.210 176.514 176.094 0.350 0.000 1.232 330 V CA -0.334 62.040 62.300 0.123 0.000 1.043 330 V CB 1.073 32.936 31.823 0.065 0.000 1.068 330 V HN 1.859 nan 8.190 nan 0.000 0.439 331 V N -0.327 119.815 119.914 0.380 0.000 3.262 331 V HA 0.560 4.701 4.120 0.034 0.000 0.313 331 V C 1.405 177.704 176.094 0.341 0.000 1.070 331 V CA 0.057 62.627 62.300 0.450 0.000 1.049 331 V CB 1.211 33.302 31.823 0.447 0.000 1.157 331 V HN 1.111 nan 8.190 nan 0.000 0.454 332 K N -0.494 120.102 120.400 0.328 0.000 2.211 332 K HA -0.027 4.314 4.320 0.034 0.000 0.203 332 K C 0.212 176.943 176.600 0.218 0.000 1.050 332 K CA 1.566 57.996 56.287 0.240 0.000 0.945 332 K CB 0.102 32.721 32.500 0.197 0.000 0.732 332 K HN 0.895 nan 8.250 nan 0.000 0.451 333 D N 0.997 121.540 120.400 0.239 0.000 2.772 333 D HA 0.028 4.688 4.640 0.034 0.000 0.326 333 D C 0.076 176.529 176.300 0.254 0.000 1.207 333 D CA -0.080 54.052 54.000 0.220 0.000 0.777 333 D CB 1.209 42.122 40.800 0.187 0.000 1.169 333 D HN 0.112 nan 8.370 nan 0.000 0.506 334 E N 0.484 120.836 120.200 0.253 0.000 2.130 334 E HA -0.138 4.232 4.350 0.034 0.000 0.196 334 E C 1.896 178.682 176.600 0.311 0.000 0.998 334 E CA 0.911 57.484 56.400 0.288 0.000 0.806 334 E CB 0.149 29.963 29.700 0.189 0.000 0.738 334 E HN 0.401 nan 8.360 nan 0.000 0.459 335 G N 0.818 109.759 108.800 0.235 0.000 2.939 335 G HA2 -0.107 3.873 3.960 0.034 0.000 0.210 335 G HA3 -0.107 3.873 3.960 0.034 0.000 0.210 335 G C 1.629 176.697 174.900 0.280 0.000 1.160 335 G CA 0.663 45.910 45.100 0.245 0.000 0.770 335 G HN 0.327 nan 8.290 nan 0.000 0.543 336 S N 0.840 116.695 115.700 0.258 0.000 2.374 336 S HA -0.271 4.219 4.470 0.034 0.000 0.227 336 S C 2.195 176.889 174.600 0.158 0.000 1.037 336 S CA 1.661 59.997 58.200 0.226 0.000 1.024 336 S CB -0.717 62.546 63.200 0.104 0.000 0.861 336 S HN 0.737 nan 8.310 nan 0.000 0.456 337 Y N 0.327 120.582 120.300 -0.074 0.000 2.490 337 Y HA 0.371 4.941 4.550 0.033 0.000 0.285 337 Y C 1.579 177.424 175.900 -0.091 0.000 1.117 337 Y CA -0.277 57.677 58.100 -0.245 0.000 1.262 337 Y CB -0.646 37.456 38.460 -0.597 0.000 1.043 337 Y HN 0.154 nan 8.280 nan 0.000 0.553 338 F N 1.113 120.631 119.950 -0.721 0.000 2.333 338 F HA -0.138 4.409 4.527 0.033 0.000 0.300 338 F C 1.937 177.630 175.800 -0.179 0.000 1.083 338 F CA 1.239 58.864 58.000 -0.626 0.000 1.395 338 F CB -0.387 38.286 39.000 -0.545 0.000 1.056 338 F HN 0.123 nan 8.300 nan 0.000 0.529 339 L N -0.249 120.994 121.223 0.032 0.000 2.093 339 L HA -0.146 4.214 4.340 0.034 0.000 0.208 339 L C 2.474 179.408 176.870 0.107 0.000 1.085 339 L CA 1.099 55.877 54.840 -0.104 0.000 0.755 339 L CB -1.001 40.734 42.059 -0.539 0.000 0.904 339 L HN 0.191 nan 8.230 nan 0.000 0.435 340 V N -3.746 116.335 119.914 0.279 0.000 3.217 340 V HA -0.161 3.979 4.120 0.034 0.000 0.264 340 V C 1.950 178.146 176.094 0.171 0.000 1.135 340 V CA 0.669 63.172 62.300 0.338 0.000 1.142 340 V CB -0.844 31.239 31.823 0.433 0.000 0.754 340 V HN 0.209 nan 8.190 nan 0.000 0.484 341 Y N 2.526 122.885 120.300 0.098 0.000 2.586 341 Y HA 0.416 4.986 4.550 0.033 0.000 0.240 341 Y C 2.698 178.638 175.900 0.067 0.000 0.998 341 Y CA 1.846 59.974 58.100 0.047 0.000 1.019 341 Y CB -1.205 37.243 38.460 -0.021 0.000 1.047 341 Y HN 0.175 nan 8.280 nan 0.000 0.468 342 G N -0.312 108.635 108.800 0.245 0.000 2.920 342 G HA2 0.149 4.130 3.960 0.034 0.000 0.208 342 G HA3 0.149 4.130 3.960 0.034 0.000 0.208 342 G C -0.412 174.585 174.900 0.161 0.000 1.159 342 G CA 0.128 45.345 45.100 0.195 0.000 0.784 342 G HN 0.085 nan 8.290 nan 0.000 0.535 343 V N 1.878 121.886 119.914 0.158 0.000 2.350 343 V HA 0.276 4.416 4.120 0.034 0.000 0.276 343 V C -2.117 174.151 176.094 0.291 0.000 1.028 343 V CA -2.187 60.222 62.300 0.182 0.000 0.860 343 V CB 1.532 33.405 31.823 0.083 0.000 0.990 343 V HN -0.032 nan 8.190 nan 0.000 0.453 344 P HA 0.284 nan 4.420 nan 0.000 0.264 344 P C 1.015 178.445 177.300 0.216 0.000 1.193 344 P CA 1.178 64.391 63.100 0.188 0.000 0.763 344 P CB 0.741 32.516 31.700 0.125 0.000 0.810 345 G N 1.275 110.143 108.800 0.114 0.000 2.253 345 G HA2 -0.185 3.795 3.960 0.034 0.000 0.209 345 G HA3 -0.185 3.795 3.960 0.034 0.000 0.209 345 G C -0.240 174.503 174.900 -0.260 0.000 0.997 345 G CA -0.594 44.444 45.100 -0.103 0.000 0.640 345 G HN 0.397 nan 8.290 nan 0.000 0.496 346 F N 1.400 121.370 119.950 0.033 0.000 2.458 346 F HA 0.834 5.380 4.527 0.033 0.000 0.330 346 F C 0.571 176.466 175.800 0.158 0.000 1.082 346 F CA -0.176 57.853 58.000 0.049 0.000 0.995 346 F CB 2.331 41.402 39.000 0.117 0.000 1.170 346 F HN 0.231 nan 8.300 nan 0.000 0.478 347 S N 0.979 116.927 115.700 0.414 0.000 2.547 347 S HA 0.271 4.761 4.470 0.034 0.000 0.270 347 S C 0.147 175.070 174.600 0.538 0.000 1.150 347 S CA -0.803 57.643 58.200 0.409 0.000 0.850 347 S CB 1.424 64.764 63.200 0.233 0.000 1.118 347 S HN 0.767 nan 8.310 nan 0.000 0.461 348 K N 1.176 121.801 120.400 0.375 0.000 2.288 348 K HA 0.097 4.437 4.320 0.034 0.000 0.201 348 K C 0.182 176.839 176.600 0.096 0.000 1.048 348 K CA 1.381 57.796 56.287 0.213 0.000 0.956 348 K CB -0.114 32.278 32.500 -0.180 0.000 0.746 348 K HN 0.478 nan 8.250 nan 0.000 0.461 349 D N 0.690 121.128 120.400 0.063 0.000 2.349 349 D HA 0.020 4.680 4.640 0.034 0.000 0.214 349 D C -0.338 176.003 176.300 0.069 0.000 1.063 349 D CA 0.237 54.242 54.000 0.009 0.000 0.847 349 D CB 0.112 40.887 40.800 -0.040 0.000 0.933 349 D HN 0.513 nan 8.370 nan 0.000 0.513 350 N N -1.112 117.666 118.700 0.131 0.000 2.761 350 N HA 0.162 4.922 4.740 0.034 0.000 0.283 350 N C 0.322 175.896 175.510 0.107 0.000 1.377 350 N CA -0.663 52.437 53.050 0.082 0.000 0.791 350 N CB 1.028 39.521 38.487 0.009 0.000 1.540 350 N HN -0.364 nan 8.380 nan 0.000 0.539 351 E N -0.514 119.680 120.200 -0.009 0.000 2.478 351 E HA -0.021 4.349 4.350 0.034 0.000 0.198 351 E C -0.450 175.831 176.600 -0.531 0.000 1.046 351 E CA 0.403 56.732 56.400 -0.118 0.000 0.870 351 E CB -0.308 29.362 29.700 -0.050 0.000 0.818 351 E HN 0.604 nan 8.360 nan 0.000 0.527 352 S N 0.348 115.757 115.700 -0.484 0.000 3.614 352 S HA -0.185 4.306 4.470 0.034 0.000 0.360 352 S C 0.267 174.451 174.600 -0.695 0.000 1.023 352 S CA 0.169 57.944 58.200 -0.708 0.000 1.114 352 S CB -1.778 60.764 63.200 -1.096 0.000 0.907 352 S HN 0.307 nan 8.310 nan 0.000 0.470 353 L N 1.601 122.571 121.223 -0.422 0.000 2.477 353 L HA 0.395 4.755 4.340 0.034 0.000 0.272 353 L C 0.748 177.429 176.870 -0.316 0.000 1.157 353 L CA 0.103 54.757 54.840 -0.310 0.000 0.889 353 L CB 0.002 41.947 42.059 -0.190 0.000 1.158 353 L HN 0.466 nan 8.230 nan 0.000 0.473 354 I N 0.090 120.478 120.570 -0.303 0.000 3.023 354 I HA 0.689 4.879 4.170 0.034 0.000 0.312 354 I C 0.369 176.416 176.117 -0.116 0.000 1.056 354 I CA -0.676 60.480 61.300 -0.240 0.000 1.033 354 I CB 2.070 39.892 38.000 -0.296 0.000 1.233 354 I HN 0.546 nan 8.210 nan 0.000 0.462 355 S N 1.939 117.605 115.700 -0.057 0.000 2.707 355 S HA 0.443 4.933 4.470 0.034 0.000 0.276 355 S C 0.888 175.517 174.600 0.048 0.000 1.179 355 S CA -0.529 57.662 58.200 -0.015 0.000 0.992 355 S CB 1.663 64.861 63.200 -0.004 0.000 1.030 355 S HN 0.857 nan 8.310 nan 0.000 0.554 356 R N 0.284 120.817 120.500 0.054 0.000 2.081 356 R HA -0.050 4.310 4.340 0.034 0.000 0.235 356 R C 2.390 178.789 176.300 0.165 0.000 1.131 356 R CA 1.628 57.803 56.100 0.125 0.000 0.960 356 R CB -1.135 29.213 30.300 0.080 0.000 0.856 356 R HN 0.834 nan 8.270 nan 0.000 0.436 357 A N 0.436 123.316 122.820 0.100 0.000 1.902 357 A HA -0.224 4.117 4.320 0.034 0.000 0.217 357 A C 2.027 179.668 177.584 0.096 0.000 1.181 357 A CA 1.577 53.664 52.037 0.084 0.000 0.623 357 A CB -0.494 18.539 19.000 0.055 0.000 0.818 357 A HN 0.506 nan 8.150 nan 0.000 0.443 358 Q N -1.969 117.896 119.800 0.108 0.000 2.224 358 Q HA -0.104 4.257 4.340 0.034 0.000 0.203 358 Q C 1.819 177.946 176.000 0.211 0.000 0.970 358 Q CA 1.432 57.312 55.803 0.128 0.000 0.865 358 Q CB -0.248 28.540 28.738 0.084 0.000 0.922 358 Q HN 0.831 nan 8.270 nan 0.000 0.445 359 F N 0.735 120.729 119.950 0.073 0.000 2.163 359 F HA -0.111 4.440 4.527 0.040 0.000 0.297 359 F C 1.594 177.441 175.800 0.078 0.000 1.094 359 F CA 0.777 58.831 58.000 0.091 0.000 1.290 359 F CB 0.192 39.230 39.000 0.063 0.000 1.017 359 F HN -0.056 nan 8.300 nan 0.000 0.483 360 L N 0.205 121.370 121.223 -0.096 0.000 2.109 360 L HA -0.076 4.285 4.340 0.034 0.000 0.207 360 L C 2.840 179.647 176.870 -0.106 0.000 1.086 360 L CA 0.972 55.704 54.840 -0.180 0.000 0.760 360 L CB -1.537 40.494 42.059 -0.047 0.000 0.910 360 L HN 0.180 nan 8.230 nan 0.000 0.437 361 A N 0.985 123.794 122.820 -0.019 0.000 1.933 361 A HA -0.093 4.247 4.320 0.034 0.000 0.218 361 A C 2.432 180.023 177.584 0.010 0.000 1.175 361 A CA 1.727 53.770 52.037 0.010 0.000 0.628 361 A CB -1.227 17.801 19.000 0.047 0.000 0.814 361 A HN 0.438 nan 8.150 nan 0.000 0.444 362 G N -0.814 108.002 108.800 0.027 0.000 2.422 362 G HA2 -0.044 3.937 3.960 0.034 0.000 0.218 362 G HA3 -0.044 3.937 3.960 0.034 0.000 0.218 362 G C 1.448 176.322 174.900 -0.044 0.000 1.140 362 G CA 1.118 46.242 45.100 0.040 0.000 0.775 362 G HN 0.310 nan 8.290 nan 0.000 0.545 363 V N 1.004 120.829 119.914 -0.148 0.000 2.427 363 V HA -0.098 4.043 4.120 0.034 0.000 0.248 363 V C 2.936 178.981 176.094 -0.080 0.000 1.051 363 V CA 1.390 63.592 62.300 -0.163 0.000 1.048 363 V CB -0.337 31.298 31.823 -0.315 0.000 0.666 363 V HN 0.207 nan 8.190 nan 0.000 0.456 364 R N 0.099 120.561 120.500 -0.064 0.000 2.120 364 R HA -0.001 4.359 4.340 0.034 0.000 0.234 364 R C 2.026 178.311 176.300 -0.024 0.000 1.123 364 R CA 1.401 57.480 56.100 -0.035 0.000 0.975 364 R CB -0.855 29.431 30.300 -0.024 0.000 0.866 364 R HN 0.467 nan 8.270 nan 0.000 0.446 365 I N -0.406 120.155 120.570 -0.016 0.000 2.406 365 I HA -0.061 4.129 4.170 0.034 0.000 0.249 365 I C 2.260 178.369 176.117 -0.013 0.000 1.122 365 I CA 1.275 62.572 61.300 -0.005 0.000 1.431 365 I CB -0.493 37.519 38.000 0.020 0.000 1.087 365 I HN 0.193 nan 8.210 nan 0.000 0.424 366 G N 0.520 109.307 108.800 -0.022 0.000 2.421 366 G HA2 -0.034 3.946 3.960 0.034 0.000 0.217 366 G HA3 -0.034 3.946 3.960 0.034 0.000 0.217 366 G C 0.839 175.736 174.900 -0.005 0.000 1.143 366 G CA 0.406 45.492 45.100 -0.023 0.000 0.784 366 G HN 0.240 nan 8.290 nan 0.000 0.541 367 V N 1.863 121.762 119.914 -0.026 0.000 2.320 367 V HA 0.231 4.372 4.120 0.034 0.000 0.257 367 V C -1.542 174.540 176.094 -0.019 0.000 0.996 367 V CA -1.132 61.137 62.300 -0.052 0.000 0.928 367 V CB 1.554 33.333 31.823 -0.074 0.000 1.169 367 V HN 0.076 nan 8.190 nan 0.000 0.475 368 P HA -0.160 nan 4.420 nan 0.000 0.223 368 P C 1.339 178.629 177.300 -0.017 0.000 1.151 368 P CA 1.016 64.106 63.100 -0.017 0.000 0.787 368 P CB 0.420 32.103 31.700 -0.028 0.000 0.788 369 Q N -0.089 119.710 119.800 -0.002 0.000 2.432 369 Q HA 0.091 4.451 4.340 0.034 0.000 0.205 369 Q C 0.771 176.761 176.000 -0.016 0.000 0.945 369 Q CA 0.297 56.096 55.803 -0.008 0.000 0.924 369 Q CB -0.695 28.050 28.738 0.011 0.000 1.016 369 Q HN 0.049 nan 8.270 nan 0.000 0.503 370 A N 2.414 125.223 122.820 -0.017 0.000 2.450 370 A HA 0.361 4.701 4.320 0.034 0.000 0.255 370 A C 0.539 178.109 177.584 -0.023 0.000 1.096 370 A CA 0.099 52.122 52.037 -0.023 0.000 0.778 370 A CB 0.302 19.291 19.000 -0.018 0.000 1.031 370 A HN 0.508 nan 8.150 nan 0.000 0.494 371 S N 1.997 117.681 115.700 -0.027 0.000 2.598 371 S HA 0.053 4.543 4.470 0.034 0.000 0.256 371 S C 0.495 175.089 174.600 -0.011 0.000 1.350 371 S CA 0.485 58.672 58.200 -0.022 0.000 0.984 371 S CB 0.265 63.449 63.200 -0.027 0.000 0.930 371 S HN 0.625 nan 8.310 nan 0.000 0.577 372 D N 0.176 120.573 120.400 -0.005 0.000 2.123 372 D HA -0.085 4.575 4.640 0.034 0.000 0.196 372 D C 1.715 178.024 176.300 0.016 0.000 0.992 372 D CA 1.236 55.239 54.000 0.004 0.000 0.833 372 D CB -0.471 40.333 40.800 0.006 0.000 0.954 372 D HN 0.447 nan 8.370 nan 0.000 0.455 373 L N 0.435 121.668 121.223 0.015 0.000 2.056 373 L HA 0.038 4.398 4.340 0.034 0.000 0.207 373 L C 2.005 178.905 176.870 0.050 0.000 1.078 373 L CA 1.625 56.484 54.840 0.033 0.000 0.749 373 L CB -0.713 41.360 42.059 0.023 0.000 0.901 373 L HN -0.013 nan 8.230 nan 0.000 0.433 374 A N -0.426 122.405 122.820 0.018 0.000 1.930 374 A HA -0.040 4.301 4.320 0.034 0.000 0.217 374 A C 2.430 180.047 177.584 0.054 0.000 1.175 374 A CA 1.556 53.603 52.037 0.016 0.000 0.627 374 A CB -1.064 17.908 19.000 -0.046 0.000 0.815 374 A HN 0.562 nan 8.150 nan 0.000 0.443 375 A N -0.750 122.090 122.820 0.033 0.000 1.930 375 A HA -0.112 4.228 4.320 0.034 0.000 0.217 375 A C 2.000 179.614 177.584 0.049 0.000 1.175 375 A CA 1.584 53.636 52.037 0.026 0.000 0.627 375 A CB -0.345 18.653 19.000 -0.003 0.000 0.815 375 A HN 0.425 nan 8.150 nan 0.000 0.443 376 E N -0.034 120.208 120.200 0.069 0.000 2.072 376 E HA -0.097 4.273 4.350 0.034 0.000 0.191 376 E C 2.354 179.040 176.600 0.143 0.000 0.985 376 E CA 1.131 57.589 56.400 0.096 0.000 0.801 376 E CB -0.411 29.342 29.700 0.089 0.000 0.750 376 E HN 0.534 nan 8.360 nan 0.000 0.452 377 A N 0.734 123.662 122.820 0.180 0.000 1.902 377 A HA -0.142 4.199 4.320 0.034 0.000 0.217 377 A C 2.584 180.300 177.584 0.220 0.000 1.181 377 A CA 1.437 53.631 52.037 0.262 0.000 0.623 377 A CB -0.641 18.635 19.000 0.459 0.000 0.818 377 A HN 0.141 nan 8.150 nan 0.000 0.443 378 V N -0.532 119.535 119.914 0.255 0.000 2.261 378 V HA -0.230 3.911 4.120 0.034 0.000 0.246 378 V C 2.578 178.824 176.094 0.255 0.000 1.047 378 V CA 2.014 64.449 62.300 0.225 0.000 1.015 378 V CB -0.756 31.184 31.823 0.195 0.000 0.642 378 V HN 0.367 nan 8.190 nan 0.000 0.446 379 V N -0.212 119.802 119.914 0.166 0.000 2.332 379 V HA -0.260 3.880 4.120 0.034 0.000 0.248 379 V C 2.262 178.561 176.094 0.341 0.000 1.055 379 V CA 2.002 64.432 62.300 0.217 0.000 1.038 379 V CB -0.484 31.393 31.823 0.090 0.000 0.651 379 V HN 0.450 nan 8.190 nan 0.000 0.450 380 L N -0.863 120.536 121.223 0.293 0.000 2.109 380 L HA -0.161 4.199 4.340 0.034 0.000 0.207 380 L C 2.525 179.586 176.870 0.318 0.000 1.086 380 L CA 1.754 56.833 54.840 0.398 0.000 0.760 380 L CB -0.734 41.492 42.059 0.278 0.000 0.910 380 L HN 0.442 nan 8.230 nan 0.000 0.437 381 H N -0.806 118.254 119.070 -0.018 0.000 2.389 381 H HA -0.182 4.396 4.556 0.037 0.000 0.299 381 H C 1.666 176.886 175.328 -0.181 0.000 1.081 381 H CA 1.838 57.724 56.048 -0.269 0.000 1.345 381 H CB 0.084 29.320 29.762 -0.876 0.000 1.393 381 H HN 0.252 nan 8.280 nan 0.000 0.520 382 Y N -0.281 120.054 120.300 0.059 0.000 2.462 382 Y HA 0.159 4.729 4.550 0.032 0.000 0.261 382 Y C 0.768 176.643 175.900 -0.040 0.000 1.146 382 Y CA 0.187 58.336 58.100 0.082 0.000 1.283 382 Y CB 0.402 39.060 38.460 0.330 0.000 1.090 382 Y HN 0.034 nan 8.280 nan 0.000 0.526 383 T N 1.335 115.886 114.554 -0.006 0.000 2.930 383 T HA -0.066 4.304 4.350 0.034 0.000 0.306 383 T C -0.180 174.230 174.700 -0.483 0.000 1.045 383 T CA -0.195 61.661 62.100 -0.406 0.000 1.134 383 T CB 0.318 68.674 68.868 -0.853 0.000 0.961 383 T HN 0.077 nan 8.240 nan 0.000 0.545 384 D N 1.728 121.898 120.400 -0.384 0.000 2.365 384 D HA 0.084 4.744 4.640 0.034 0.000 0.237 384 D C 0.010 176.089 176.300 -0.368 0.000 1.190 384 D CA -0.287 53.582 54.000 -0.218 0.000 0.867 384 D CB 0.568 41.421 40.800 0.089 0.000 1.050 384 D HN 0.648 nan 8.370 nan 0.000 0.491 385 W N 3.073 124.326 121.300 -0.079 0.000 2.937 385 W HA 0.062 4.740 4.660 0.031 0.000 0.245 385 W C 2.068 178.495 176.519 -0.153 0.000 1.306 385 W CA -0.331 56.959 57.345 -0.091 0.000 1.470 385 W CB 0.220 29.635 29.460 -0.075 0.000 1.132 385 W HN 0.447 nan 8.180 nan 0.000 0.675 386 L N -0.990 120.147 121.223 -0.143 0.000 2.209 386 L HA -0.048 4.313 4.340 0.034 0.000 0.207 386 L C 0.141 176.659 176.870 -0.586 0.000 1.094 386 L CA 1.180 55.778 54.840 -0.404 0.000 0.790 386 L CB -0.074 41.609 42.059 -0.628 0.000 0.932 386 L HN -0.013 nan 8.230 nan 0.000 0.447 387 H N -2.148 116.838 119.070 -0.140 0.000 2.380 387 H HA 0.209 4.770 4.556 0.008 0.000 0.231 387 H C -1.975 173.194 175.328 -0.265 0.000 1.415 387 H CA -1.688 54.223 56.048 -0.229 0.000 1.433 387 H CB 0.087 29.601 29.762 -0.414 0.000 1.544 387 H HN -0.047 nan 8.280 nan 0.000 0.503 388 P HA -0.131 nan 4.420 nan 0.000 0.222 388 P C 0.431 177.603 177.300 -0.214 0.000 1.147 388 P CA 1.163 64.085 63.100 -0.297 0.000 0.790 388 P CB 0.563 32.139 31.700 -0.205 0.000 0.780 389 E N -0.942 119.182 120.200 -0.127 0.000 2.714 389 E HA 0.067 4.437 4.350 0.034 0.000 0.219 389 E C -0.323 176.217 176.600 -0.100 0.000 0.979 389 E CA -0.241 56.101 56.400 -0.096 0.000 1.092 389 E CB 0.144 29.814 29.700 -0.049 0.000 1.049 389 E HN 0.193 nan 8.360 nan 0.000 0.487 390 D N 2.782 123.103 120.400 -0.132 0.000 2.371 390 D HA 0.007 4.667 4.640 0.034 0.000 0.256 390 D C -1.210 175.023 176.300 -0.112 0.000 1.193 390 D CA -1.721 52.190 54.000 -0.147 0.000 0.881 390 D CB 1.182 41.813 40.800 -0.282 0.000 1.143 390 D HN -0.131 nan 8.370 nan 0.000 0.473 391 P HA -0.115 nan 4.420 nan 0.000 0.221 391 P C 1.055 178.302 177.300 -0.087 0.000 1.150 391 P CA 0.836 63.876 63.100 -0.102 0.000 0.800 391 P CB 0.194 31.829 31.700 -0.108 0.000 0.787 392 T N -0.778 113.755 114.554 -0.034 0.000 2.737 392 T HA -0.139 4.232 4.350 0.034 0.000 0.265 392 T C 1.660 176.400 174.700 0.067 0.000 1.038 392 T CA 1.567 63.677 62.100 0.017 0.000 1.144 392 T CB -0.940 67.970 68.868 0.070 0.000 0.866 392 T HN 0.214 nan 8.240 nan 0.000 0.434 393 H N 0.935 119.944 119.070 -0.101 0.000 2.353 393 H HA 0.114 4.687 4.556 0.027 0.000 0.300 393 H C 2.162 177.386 175.328 -0.173 0.000 1.090 393 H CA 0.868 56.856 56.048 -0.101 0.000 1.327 393 H CB -0.681 29.023 29.762 -0.097 0.000 1.383 393 H HN 0.229 nan 8.280 nan 0.000 0.508 394 L N -0.053 121.097 121.223 -0.121 0.000 2.046 394 L HA -0.178 4.183 4.340 0.034 0.000 0.208 394 L C 2.803 179.580 176.870 -0.155 0.000 1.077 394 L CA 1.360 55.990 54.840 -0.349 0.000 0.747 394 L CB -0.388 41.494 42.059 -0.295 0.000 0.896 394 L HN 0.217 nan 8.230 nan 0.000 0.432 395 R N 0.675 121.153 120.500 -0.038 0.000 2.082 395 R HA -0.208 4.153 4.340 0.034 0.000 0.234 395 R C 1.732 178.151 176.300 0.199 0.000 1.136 395 R CA 2.317 58.476 56.100 0.098 0.000 0.935 395 R CB -0.573 29.662 30.300 -0.108 0.000 0.842 395 R HN 0.337 nan 8.270 nan 0.000 0.430 396 D N 0.274 120.743 120.400 0.116 0.000 2.218 396 D HA -0.113 4.547 4.640 0.034 0.000 0.204 396 D C 1.659 178.043 176.300 0.140 0.000 0.976 396 D CA 1.411 55.498 54.000 0.145 0.000 0.853 396 D CB -0.097 40.743 40.800 0.067 0.000 0.939 396 D HN 0.436 nan 8.370 nan 0.000 0.481 397 A N 0.499 123.363 122.820 0.073 0.000 1.898 397 A HA -0.086 4.254 4.320 0.034 0.000 0.214 397 A C 2.102 179.800 177.584 0.191 0.000 1.183 397 A CA 1.030 53.136 52.037 0.114 0.000 0.622 397 A CB -0.378 18.571 19.000 -0.086 0.000 0.824 397 A HN 0.107 nan 8.150 nan 0.000 0.444 398 M N 0.292 120.058 119.600 0.278 0.000 2.108 398 M HA -0.124 4.376 4.480 0.034 0.000 0.261 398 M C 2.276 178.658 176.300 0.135 0.000 1.066 398 M CA 2.195 57.697 55.300 0.337 0.000 1.107 398 M CB -0.627 32.232 32.600 0.432 0.000 1.356 398 M HN 0.417 nan 8.290 nan 0.000 0.406 399 S N -0.523 115.275 115.700 0.163 0.000 2.368 399 S HA -0.027 4.464 4.470 0.034 0.000 0.224 399 S C 2.028 176.705 174.600 0.128 0.000 1.029 399 S CA 1.351 59.647 58.200 0.159 0.000 0.988 399 S CB -0.533 62.829 63.200 0.270 0.000 0.838 399 S HN 0.611 nan 8.310 nan 0.000 0.462 400 A N 0.754 123.662 122.820 0.146 0.000 1.969 400 A HA 0.070 4.410 4.320 0.034 0.000 0.218 400 A C 2.311 179.929 177.584 0.057 0.000 1.169 400 A CA 1.472 53.614 52.037 0.175 0.000 0.635 400 A CB -0.904 18.290 19.000 0.323 0.000 0.810 400 A HN 0.447 nan 8.150 nan 0.000 0.445 401 V N -0.431 119.381 119.914 -0.171 0.000 2.295 401 V HA -0.238 3.903 4.120 0.034 0.000 0.246 401 V C 2.579 178.598 176.094 -0.125 0.000 1.049 401 V CA 2.154 64.288 62.300 -0.276 0.000 1.024 401 V CB -0.650 31.028 31.823 -0.241 0.000 0.648 401 V HN 0.384 nan 8.190 nan 0.000 0.447 402 V N 0.578 120.437 119.914 -0.091 0.000 2.358 402 V HA -0.117 4.023 4.120 0.034 0.000 0.246 402 V C 2.597 178.561 176.094 -0.216 0.000 1.047 402 V CA 2.050 64.268 62.300 -0.136 0.000 1.035 402 V CB -1.275 30.503 31.823 -0.075 0.000 0.658 402 V HN 0.608 nan 8.190 nan 0.000 0.452 403 G N -0.274 108.469 108.800 -0.094 0.000 2.418 403 G HA2 -0.229 3.751 3.960 0.034 0.000 0.217 403 G HA3 -0.229 3.751 3.960 0.034 0.000 0.217 403 G C 1.231 176.042 174.900 -0.147 0.000 1.158 403 G CA 1.012 46.063 45.100 -0.081 0.000 0.771 403 G HN 0.497 nan 8.290 nan 0.000 0.545 404 D N -0.292 120.047 120.400 -0.101 0.000 2.117 404 D HA -0.073 4.587 4.640 0.034 0.000 0.198 404 D C 2.107 178.116 176.300 -0.484 0.000 0.982 404 D CA 1.217 55.139 54.000 -0.129 0.000 0.828 404 D CB -0.430 40.475 40.800 0.175 0.000 0.967 404 D HN 0.413 nan 8.370 nan 0.000 0.464 405 H N 0.754 119.279 119.070 -0.909 0.000 2.389 405 H HA 0.051 4.627 4.556 0.033 0.000 0.299 405 H C 1.433 176.347 175.328 -0.690 0.000 1.081 405 H CA 1.533 56.822 56.048 -1.264 0.000 1.345 405 H CB 0.105 29.023 29.762 -1.407 0.000 1.393 405 H HN -0.015 nan 8.280 nan 0.000 0.520 406 N N -0.848 117.388 118.700 -0.774 0.000 2.415 406 N HA 0.016 4.777 4.740 0.034 0.000 0.174 406 N C 1.237 176.472 175.510 -0.458 0.000 1.048 406 N CA 1.065 53.610 53.050 -0.842 0.000 0.895 406 N CB 1.100 38.574 38.487 -1.688 0.000 1.036 406 N HN 0.273 nan 8.380 nan 0.000 0.449 407 V N -0.384 119.310 119.914 -0.366 0.000 3.161 407 V HA 0.076 4.216 4.120 0.034 0.000 0.221 407 V C 2.154 178.190 176.094 -0.097 0.000 1.296 407 V CA 0.239 62.459 62.300 -0.134 0.000 1.306 407 V CB 0.005 31.796 31.823 -0.053 0.000 1.171 407 V HN -0.163 nan 8.190 nan 0.000 0.513 408 V N -0.143 119.714 119.914 -0.094 0.000 2.307 408 V HA -0.254 3.887 4.120 0.034 0.000 0.245 408 V C 2.482 178.537 176.094 -0.065 0.000 1.045 408 V CA 2.467 64.735 62.300 -0.053 0.000 1.024 408 V CB -0.682 31.141 31.823 0.000 0.000 0.651 408 V HN 0.645 nan 8.190 nan 0.000 0.449 409 c N -0.428 118.125 118.600 -0.078 0.000 2.457 409 c HA 0.026 4.616 4.570 0.034 0.000 0.278 409 c C 0.553 174.606 174.090 -0.062 0.000 1.309 409 c CA 0.762 57.074 56.329 -0.029 0.000 1.735 409 c CB -1.662 40.867 42.510 0.031 0.000 1.992 409 c HN 0.455 nan 8.230 nan 0.000 0.493 410 P HA -0.088 nan 4.420 nan 0.000 0.215 410 P C 1.770 179.004 177.300 -0.111 0.000 1.157 410 P CA 1.407 64.431 63.100 -0.127 0.000 0.868 410 P CB -0.148 31.444 31.700 -0.179 0.000 0.788 411 V N -0.017 119.833 119.914 -0.107 0.000 2.343 411 V HA -0.270 3.870 4.120 0.034 0.000 0.247 411 V C 2.415 178.408 176.094 -0.169 0.000 1.051 411 V CA 2.304 64.526 62.300 -0.130 0.000 1.036 411 V CB -1.665 30.082 31.823 -0.128 0.000 0.654 411 V HN 0.107 nan 8.190 nan 0.000 0.451 412 A N -0.559 122.180 122.820 -0.136 0.000 1.898 412 A HA -0.288 4.053 4.320 0.034 0.000 0.216 412 A C 2.221 179.763 177.584 -0.070 0.000 1.181 412 A CA 1.998 53.958 52.037 -0.128 0.000 0.620 412 A CB -0.513 18.463 19.000 -0.039 0.000 0.819 412 A HN 0.621 nan 8.150 nan 0.000 0.442 413 Q N -0.623 119.153 119.800 -0.040 0.000 2.030 413 Q HA -0.196 4.165 4.340 0.034 0.000 0.204 413 Q C 1.939 177.912 176.000 -0.044 0.000 0.986 413 Q CA 1.997 57.790 55.803 -0.017 0.000 0.843 413 Q CB -0.383 28.345 28.738 -0.018 0.000 0.904 413 Q HN 0.509 nan 8.270 nan 0.000 0.420 414 L N 0.520 121.689 121.223 -0.090 0.000 2.012 414 L HA -0.111 4.249 4.340 0.034 0.000 0.210 414 L C 2.314 179.107 176.870 -0.128 0.000 1.073 414 L CA 2.288 57.059 54.840 -0.114 0.000 0.748 414 L CB -0.968 41.008 42.059 -0.138 0.000 0.891 414 L HN 0.339 nan 8.230 nan 0.000 0.431 415 A N -0.494 122.211 122.820 -0.191 0.000 1.917 415 A HA -0.165 4.175 4.320 0.034 0.000 0.219 415 A C 2.336 179.914 177.584 -0.010 0.000 1.182 415 A CA 1.878 53.758 52.037 -0.262 0.000 0.633 415 A CB -1.690 16.863 19.000 -0.745 0.000 0.819 415 A HN 0.565 nan 8.150 nan 0.000 0.448 416 G N -0.967 107.886 108.800 0.088 0.000 2.402 416 G HA2 -0.173 3.808 3.960 0.034 0.000 0.216 416 G HA3 -0.173 3.808 3.960 0.034 0.000 0.216 416 G C 1.680 176.655 174.900 0.126 0.000 1.162 416 G CA 0.765 46.000 45.100 0.226 0.000 0.777 416 G HN 0.406 nan 8.290 nan 0.000 0.539 417 R N 0.329 120.869 120.500 0.066 0.000 2.062 417 R HA 0.143 4.504 4.340 0.034 0.000 0.229 417 R C 2.671 179.024 176.300 0.090 0.000 1.128 417 R CA 0.467 56.612 56.100 0.076 0.000 0.960 417 R CB -1.264 29.074 30.300 0.063 0.000 0.855 417 R HN 0.393 nan 8.270 nan 0.000 0.432 418 L N 0.477 121.694 121.223 -0.009 0.000 2.012 418 L HA -0.160 4.200 4.340 0.034 0.000 0.210 418 L C 2.616 179.530 176.870 0.075 0.000 1.073 418 L CA 1.647 56.455 54.840 -0.053 0.000 0.748 418 L CB -0.779 41.154 42.059 -0.211 0.000 0.891 418 L HN 0.157 nan 8.230 nan 0.000 0.431 419 A N -0.027 122.845 122.820 0.088 0.000 1.898 419 A HA -0.098 4.242 4.320 0.034 0.000 0.216 419 A C 2.537 180.176 177.584 0.091 0.000 1.181 419 A CA 1.563 53.661 52.037 0.102 0.000 0.620 419 A CB -0.650 18.444 19.000 0.158 0.000 0.819 419 A HN 0.398 nan 8.150 nan 0.000 0.442 420 A N -1.045 121.834 122.820 0.099 0.000 1.972 420 A HA -0.135 4.206 4.320 0.034 0.000 0.219 420 A C 1.812 179.450 177.584 0.090 0.000 1.169 420 A CA 1.602 53.688 52.037 0.082 0.000 0.635 420 A CB -0.297 18.751 19.000 0.080 0.000 0.810 420 A HN 0.584 nan 8.150 nan 0.000 0.446 421 Q N -1.726 118.156 119.800 0.137 0.000 2.225 421 Q HA 0.406 4.766 4.340 0.034 0.000 0.259 421 Q C 0.718 176.814 176.000 0.160 0.000 0.872 421 Q CA 0.417 56.308 55.803 0.146 0.000 1.042 421 Q CB 0.461 29.318 28.738 0.199 0.000 1.142 421 Q HN 0.789 nan 8.270 nan 0.000 0.463 422 G N -0.673 108.201 108.800 0.124 0.000 2.179 422 G HA2 -0.249 3.731 3.960 0.034 0.000 0.220 422 G HA3 -0.249 3.731 3.960 0.034 0.000 0.220 422 G C 0.295 175.262 174.900 0.111 0.000 0.990 422 G CA -0.186 44.974 45.100 0.099 0.000 0.646 422 G HN 0.545 nan 8.290 nan 0.000 0.517 423 A N -0.038 122.864 122.820 0.138 0.000 2.313 423 A HA 0.757 5.097 4.320 0.034 0.000 0.261 423 A C 0.680 178.295 177.584 0.052 0.000 1.090 423 A CA 0.496 52.595 52.037 0.105 0.000 0.807 423 A CB 0.407 19.453 19.000 0.077 0.000 1.055 423 A HN 0.891 nan 8.150 nan 0.000 0.492 424 R N 0.937 121.463 120.500 0.043 0.000 2.255 424 R HA 0.547 4.907 4.340 0.034 0.000 0.326 424 R C -1.769 174.506 176.300 -0.041 0.000 0.986 424 R CA -0.201 55.887 56.100 -0.019 0.000 0.847 424 R CB 0.679 30.998 30.300 0.032 0.000 1.111 424 R HN 0.440 nan 8.270 nan 0.000 0.452 425 V N 5.666 125.478 119.914 -0.170 0.000 2.588 425 V HA 0.421 4.561 4.120 0.034 0.000 0.304 425 V C -1.212 174.682 176.094 -0.333 0.000 1.042 425 V CA -0.779 61.447 62.300 -0.123 0.000 0.877 425 V CB 1.611 33.430 31.823 -0.005 0.000 0.996 425 V HN 0.675 nan 8.190 nan 0.000 0.425 426 Y N 2.178 122.417 120.300 -0.102 0.000 2.393 426 Y HA 0.815 5.385 4.550 0.033 0.000 0.341 426 Y C 0.330 176.262 175.900 0.054 0.000 0.988 426 Y CA -0.555 57.456 58.100 -0.148 0.000 1.078 426 Y CB 2.261 40.283 38.460 -0.729 0.000 1.203 426 Y HN 0.770 nan 8.280 nan 0.000 0.453 427 A N 2.967 126.121 122.820 0.556 0.000 2.435 427 A HA 0.858 5.199 4.320 0.034 0.000 0.304 427 A C -1.896 176.093 177.584 0.674 0.000 1.064 427 A CA -0.707 51.569 52.037 0.398 0.000 0.727 427 A CB 1.132 20.202 19.000 0.117 0.000 1.284 427 A HN 0.753 nan 8.150 nan 0.000 0.415 428 Y N -0.472 120.088 120.300 0.433 0.000 2.615 428 Y HA 0.819 5.388 4.550 0.033 0.000 0.341 428 Y C -1.170 174.927 175.900 0.328 0.000 1.089 428 Y CA -1.631 56.691 58.100 0.370 0.000 1.049 428 Y CB 1.348 40.027 38.460 0.365 0.000 1.296 428 Y HN 0.734 nan 8.280 nan 0.000 0.470 429 I N 2.849 123.751 120.570 0.553 0.000 2.498 429 I HA 0.493 4.683 4.170 0.034 0.000 0.290 429 I C -1.980 174.494 176.117 0.594 0.000 1.032 429 I CA -1.067 60.524 61.300 0.485 0.000 1.073 429 I CB 1.463 39.675 38.000 0.353 0.000 1.251 429 I HN 0.750 nan 8.210 nan 0.000 0.426 430 F N 7.111 127.350 119.950 0.483 0.000 2.404 430 F HA 0.433 4.980 4.527 0.034 0.000 0.354 430 F C 0.421 176.389 175.800 0.279 0.000 1.122 430 F CA 0.006 58.239 58.000 0.388 0.000 1.080 430 F CB 1.044 40.294 39.000 0.417 0.000 1.131 430 F HN 0.539 nan 8.300 nan 0.000 0.471 431 E N 2.906 123.019 120.200 -0.145 0.000 2.676 431 E HA -0.011 4.359 4.350 0.034 0.000 0.222 431 E C -0.805 175.707 176.600 -0.147 0.000 0.968 431 E CA -0.195 56.181 56.400 -0.041 0.000 1.090 431 E CB 0.317 30.013 29.700 -0.006 0.000 1.066 431 E HN 0.489 nan 8.360 nan 0.000 0.496 432 H N 1.868 120.619 119.070 -0.531 0.000 2.604 432 H HA 0.224 4.800 4.556 0.033 0.000 0.306 432 H C -0.411 174.885 175.328 -0.053 0.000 1.075 432 H CA -0.361 55.445 56.048 -0.403 0.000 1.357 432 H CB 0.470 29.817 29.762 -0.691 0.000 1.426 432 H HN -0.138 nan 8.280 nan 0.000 0.470 433 R N 4.003 124.178 120.500 -0.542 0.000 2.265 433 R HA 0.464 4.824 4.340 0.034 0.000 0.314 433 R C -0.527 175.495 176.300 -0.464 0.000 1.053 433 R CA -0.605 55.316 56.100 -0.299 0.000 0.931 433 R CB 0.369 30.581 30.300 -0.146 0.000 1.024 433 R HN 0.822 nan 8.270 nan 0.000 0.457 434 A N 3.035 125.881 122.820 0.044 0.000 2.546 434 A HA -0.005 4.336 4.320 0.034 0.000 0.243 434 A C 1.407 179.079 177.584 0.147 0.000 1.063 434 A CA 0.541 52.795 52.037 0.363 0.000 0.757 434 A CB 0.316 19.637 19.000 0.534 0.000 0.991 434 A HN 1.022 nan 8.150 nan 0.000 0.503 435 S N 1.797 117.626 115.700 0.214 0.000 2.419 435 S HA -0.197 4.294 4.470 0.034 0.000 0.235 435 S C 1.483 176.071 174.600 -0.019 0.000 1.019 435 S CA 1.866 60.120 58.200 0.091 0.000 0.982 435 S CB -0.975 62.304 63.200 0.132 0.000 0.789 435 S HN 1.311 nan 8.310 nan 0.000 0.490 436 T N -0.958 113.544 114.554 -0.087 0.000 3.148 436 T HA 0.304 4.674 4.350 0.034 0.000 0.253 436 T C 0.431 175.037 174.700 -0.156 0.000 1.134 436 T CA -0.391 61.581 62.100 -0.214 0.000 1.051 436 T CB -0.552 68.037 68.868 -0.465 0.000 0.959 436 T HN 0.267 nan 8.240 nan 0.000 0.525 437 L N 3.672 124.840 121.223 -0.091 0.000 2.453 437 L HA 0.295 4.656 4.340 0.034 0.000 0.272 437 L C 1.489 178.277 176.870 -0.136 0.000 1.182 437 L CA 0.699 55.463 54.840 -0.127 0.000 0.858 437 L CB 1.002 42.995 42.059 -0.111 0.000 1.120 437 L HN 0.394 nan 8.230 nan 0.000 0.474 438 T N -0.915 113.509 114.554 -0.216 0.000 3.023 438 T HA 0.137 4.507 4.350 0.034 0.000 0.253 438 T C 0.297 174.943 174.700 -0.090 0.000 1.038 438 T CA -0.463 61.525 62.100 -0.186 0.000 0.962 438 T CB -0.323 68.341 68.868 -0.340 0.000 1.018 438 T HN 0.396 nan 8.240 nan 0.000 0.521 439 W N 3.573 124.863 121.300 -0.017 0.000 2.150 439 W HA 0.400 5.080 4.660 0.033 0.000 0.341 439 W C -1.964 174.473 176.519 -0.137 0.000 1.276 439 W CA -2.050 55.268 57.345 -0.046 0.000 1.238 439 W CB 0.222 29.573 29.460 -0.182 0.000 1.128 439 W HN -0.018 nan 8.180 nan 0.000 0.581 440 P HA 0.026 nan 4.420 nan 0.000 0.274 440 P C 0.513 177.750 177.300 -0.107 0.000 1.237 440 P CA -0.030 63.053 63.100 -0.029 0.000 0.793 440 P CB 0.935 32.643 31.700 0.013 0.000 0.977 441 L N 0.393 121.618 121.223 0.003 0.000 2.127 441 L HA -0.140 4.221 4.340 0.034 0.000 0.211 441 L C 2.495 179.405 176.870 0.068 0.000 1.089 441 L CA 1.443 56.304 54.840 0.035 0.000 0.757 441 L CB -0.811 41.296 42.059 0.080 0.000 0.899 441 L HN 0.615 nan 8.230 nan 0.000 0.434 442 W N -0.880 120.480 121.300 0.099 0.000 2.525 442 W HA -0.114 4.565 4.660 0.032 0.000 0.259 442 W C 1.693 178.290 176.519 0.131 0.000 1.253 442 W CA 0.411 57.820 57.345 0.107 0.000 1.262 442 W CB -0.744 28.783 29.460 0.112 0.000 1.122 442 W HN 0.187 nan 8.180 nan 0.000 0.607 443 M N 1.252 120.519 119.600 -0.554 0.000 2.562 443 M HA 0.131 4.631 4.480 0.034 0.000 0.257 443 M C 1.831 178.068 176.300 -0.105 0.000 1.099 443 M CA 1.480 56.482 55.300 -0.498 0.000 1.099 443 M CB -0.603 31.565 32.600 -0.721 0.000 1.427 443 M HN 0.187 nan 8.290 nan 0.000 0.489 444 G N 0.740 109.520 108.800 -0.033 0.000 2.565 444 G HA2 -0.288 3.692 3.960 0.034 0.000 0.295 444 G HA3 -0.288 3.692 3.960 0.034 0.000 0.295 444 G C -0.108 174.818 174.900 0.043 0.000 1.165 444 G CA -0.109 45.015 45.100 0.040 0.000 0.977 444 G HN 0.239 nan 8.290 nan 0.000 0.546 445 V N 3.624 123.608 119.914 0.117 0.000 2.277 445 V HA 0.483 4.623 4.120 0.034 0.000 0.269 445 V C -1.865 174.374 176.094 0.241 0.000 1.036 445 V CA -0.815 61.606 62.300 0.201 0.000 0.821 445 V CB 1.141 33.138 31.823 0.290 0.000 1.052 445 V HN 0.522 nan 8.190 nan 0.000 0.462 446 P HA 0.191 nan 4.420 nan 0.000 0.276 446 P C -0.187 177.334 177.300 0.369 0.000 1.252 446 P CA -0.612 62.622 63.100 0.223 0.000 0.802 446 P CB 0.357 32.044 31.700 -0.022 0.000 1.035 447 H N 0.940 120.142 119.070 0.220 0.000 3.243 447 H HA 0.162 4.738 4.556 0.033 0.000 0.267 447 H C 1.547 176.829 175.328 -0.077 0.000 0.875 447 H CA 2.308 58.455 56.048 0.166 0.000 1.413 447 H CB -1.121 28.847 29.762 0.344 0.000 1.459 447 H HN 0.733 nan 8.280 nan 0.000 0.536 448 G N 3.661 112.332 108.800 -0.216 0.000 2.231 448 G HA2 -0.267 3.714 3.960 0.034 0.000 0.206 448 G HA3 -0.267 3.714 3.960 0.034 0.000 0.206 448 G C 0.545 175.336 174.900 -0.183 0.000 0.996 448 G CA 0.142 45.043 45.100 -0.331 0.000 0.645 448 G HN 0.603 nan 8.290 nan 0.000 0.498 449 Y N 1.583 121.989 120.300 0.177 0.000 2.532 449 Y HA 0.268 4.839 4.550 0.034 0.000 0.283 449 Y C 2.231 178.271 175.900 0.234 0.000 1.181 449 Y CA 0.785 59.033 58.100 0.247 0.000 1.256 449 Y CB 0.508 39.133 38.460 0.275 0.000 1.112 449 Y HN 0.480 nan 8.280 nan 0.000 0.521 450 E N -0.033 120.157 120.200 -0.017 0.000 2.364 450 E HA -0.040 4.331 4.350 0.034 0.000 0.196 450 E C 1.581 178.070 176.600 -0.185 0.000 0.990 450 E CA 0.574 56.641 56.400 -0.555 0.000 0.886 450 E CB -0.295 28.692 29.700 -1.189 0.000 0.866 450 E HN 0.537 nan 8.360 nan 0.000 0.493 451 I N 2.990 123.539 120.570 -0.034 0.000 2.163 451 I HA -0.309 3.881 4.170 0.034 0.000 0.243 451 I C 2.737 178.842 176.117 -0.019 0.000 1.085 451 I CA 2.151 63.471 61.300 0.032 0.000 1.347 451 I CB -0.432 37.657 38.000 0.147 0.000 1.044 451 I HN 0.219 nan 8.210 nan 0.000 0.408 452 E N 1.030 121.154 120.200 -0.128 0.000 2.160 452 E HA -0.254 4.116 4.350 0.034 0.000 0.195 452 E C 2.055 178.375 176.600 -0.466 0.000 0.991 452 E CA 1.561 57.776 56.400 -0.308 0.000 0.810 452 E CB -0.587 28.895 29.700 -0.363 0.000 0.742 452 E HN 0.444 nan 8.360 nan 0.000 0.466 453 F N 1.288 121.116 119.950 -0.204 0.000 2.163 453 F HA -0.060 4.488 4.527 0.035 0.000 0.297 453 F C 2.345 177.901 175.800 -0.407 0.000 1.094 453 F CA 0.571 58.387 58.000 -0.307 0.000 1.290 453 F CB -0.186 38.690 39.000 -0.206 0.000 1.017 453 F HN -0.012 nan 8.300 nan 0.000 0.483 454 I N -0.819 119.574 120.570 -0.295 0.000 2.286 454 I HA -0.276 3.914 4.170 0.034 0.000 0.248 454 I C 2.120 177.972 176.117 -0.443 0.000 1.115 454 I CA 1.613 62.577 61.300 -0.561 0.000 1.392 454 I CB -1.478 36.056 38.000 -0.776 0.000 1.065 454 I HN 0.084 nan 8.210 nan 0.000 0.418 455 F N 0.842 120.600 119.950 -0.319 0.000 2.710 455 F HA 0.199 4.745 4.527 0.033 0.000 0.298 455 F C 1.893 177.559 175.800 -0.224 0.000 1.137 455 F CA 0.911 58.769 58.000 -0.237 0.000 1.444 455 F CB -0.193 38.651 39.000 -0.261 0.000 1.111 455 F HN 0.295 nan 8.300 nan 0.000 0.580 456 G N -0.196 108.449 108.800 -0.258 0.000 2.131 456 G HA2 -0.279 3.702 3.960 0.034 0.000 0.223 456 G HA3 -0.279 3.702 3.960 0.034 0.000 0.223 456 G C 0.969 175.304 174.900 -0.941 0.000 0.990 456 G CA 0.250 45.081 45.100 -0.449 0.000 0.671 456 G HN 0.275 nan 8.290 nan 0.000 0.521 457 L N 0.607 121.320 121.223 -0.850 0.000 2.081 457 L HA 0.028 4.388 4.340 0.034 0.000 0.212 457 L C 0.415 176.783 176.870 -0.837 0.000 1.080 457 L CA 2.847 57.131 54.840 -0.926 0.000 0.754 457 L CB -0.901 40.853 42.059 -0.507 0.000 0.893 457 L HN 0.222 nan 8.230 nan 0.000 0.433 458 P HA -0.149 nan 4.420 nan 0.000 0.223 458 P C 1.552 178.630 177.300 -0.370 0.000 1.144 458 P CA 0.881 63.484 63.100 -0.828 0.000 0.783 458 P CB 0.054 31.233 31.700 -0.869 0.000 0.771 459 L N -1.228 119.725 121.223 -0.450 0.000 2.376 459 L HA -0.004 4.356 4.340 0.034 0.000 0.219 459 L C 0.942 177.737 176.870 -0.125 0.000 1.133 459 L CA 1.097 55.788 54.840 -0.248 0.000 0.816 459 L CB -1.073 40.853 42.059 -0.222 0.000 0.933 459 L HN -0.046 nan 8.230 nan 0.000 0.449 460 D N -0.034 120.263 120.400 -0.173 0.000 2.338 460 D HA 0.066 4.726 4.640 0.034 0.000 0.255 460 D C -1.612 174.704 176.300 0.027 0.000 1.237 460 D CA -1.749 52.266 54.000 0.025 0.000 0.883 460 D CB 1.653 42.498 40.800 0.075 0.000 1.087 460 D HN 0.004 nan 8.370 nan 0.000 0.485 461 P HA -0.114 nan 4.420 nan 0.000 0.219 461 P C 1.346 178.659 177.300 0.022 0.000 1.150 461 P CA 0.756 63.874 63.100 0.030 0.000 0.814 461 P CB 0.030 31.743 31.700 0.023 0.000 0.787 462 S N -0.629 115.081 115.700 0.017 0.000 2.493 462 S HA -0.098 4.392 4.470 0.034 0.000 0.243 462 S C 1.609 176.196 174.600 -0.022 0.000 0.991 462 S CA 0.873 59.071 58.200 -0.003 0.000 0.957 462 S CB -1.475 61.724 63.200 -0.002 0.000 0.756 462 S HN 0.120 nan 8.310 nan 0.000 0.521 463 L N 0.699 121.920 121.223 -0.003 0.000 2.592 463 L HA 0.248 4.609 4.340 0.034 0.000 0.227 463 L C 0.366 177.139 176.870 -0.162 0.000 1.127 463 L CA -0.119 54.687 54.840 -0.056 0.000 0.884 463 L CB -0.574 41.508 42.059 0.039 0.000 1.065 463 L HN 0.239 nan 8.230 nan 0.000 0.457 464 N N -1.237 117.418 118.700 -0.076 0.000 2.776 464 N HA -0.224 4.536 4.740 0.034 0.000 0.250 464 N C -0.518 174.920 175.510 -0.121 0.000 1.112 464 N CA 0.807 53.797 53.050 -0.101 0.000 0.733 464 N CB -1.560 36.843 38.487 -0.140 0.000 1.097 464 N HN 0.276 nan 8.380 nan 0.000 0.558 465 Y N 1.051 121.336 120.300 -0.025 0.000 2.304 465 Y HA 0.170 4.740 4.550 0.033 0.000 0.327 465 Y C 1.916 177.837 175.900 0.036 0.000 1.209 465 Y CA 0.123 58.234 58.100 0.019 0.000 1.299 465 Y CB 0.554 39.018 38.460 0.008 0.000 1.249 465 Y HN 0.062 nan 8.280 nan 0.000 0.519 466 T N -2.228 112.470 114.554 0.239 0.000 2.748 466 T HA 0.009 4.380 4.350 0.034 0.000 0.304 466 T C 1.137 175.914 174.700 0.129 0.000 1.041 466 T CA -0.171 62.017 62.100 0.147 0.000 1.033 466 T CB 0.668 69.614 68.868 0.129 0.000 0.995 466 T HN 0.735 nan 8.240 nan 0.000 0.536 467 T N 1.127 115.727 114.554 0.076 0.000 2.821 467 T HA -0.058 4.312 4.350 0.034 0.000 0.267 467 T C 1.841 176.569 174.700 0.047 0.000 1.046 467 T CA 1.668 63.799 62.100 0.052 0.000 1.139 467 T CB -0.374 68.512 68.868 0.031 0.000 0.871 467 T HN 0.768 nan 8.240 nan 0.000 0.454 468 E N 1.315 121.538 120.200 0.037 0.000 2.110 468 E HA -0.103 4.267 4.350 0.034 0.000 0.193 468 E C 2.247 178.869 176.600 0.037 0.000 0.988 468 E CA 0.962 57.364 56.400 0.004 0.000 0.804 468 E CB -0.149 29.522 29.700 -0.048 0.000 0.745 468 E HN 0.564 nan 8.360 nan 0.000 0.458 469 E N 0.455 120.718 120.200 0.106 0.000 2.110 469 E HA -0.196 4.174 4.350 0.034 0.000 0.193 469 E C 2.144 178.860 176.600 0.193 0.000 0.988 469 E CA 0.729 57.276 56.400 0.245 0.000 0.804 469 E CB -0.071 29.896 29.700 0.444 0.000 0.745 469 E HN 0.133 nan 8.360 nan 0.000 0.458 470 R N 1.096 121.648 120.500 0.087 0.000 2.081 470 R HA -0.145 4.215 4.340 0.034 0.000 0.235 470 R C 2.162 178.467 176.300 0.008 0.000 1.131 470 R CA 1.269 57.369 56.100 -0.001 0.000 0.960 470 R CB -0.253 30.041 30.300 -0.009 0.000 0.856 470 R HN 0.160 nan 8.270 nan 0.000 0.436 471 I N 0.550 121.144 120.570 0.039 0.000 2.315 471 I HA -0.228 3.962 4.170 0.034 0.000 0.248 471 I C 2.181 178.340 176.117 0.070 0.000 1.117 471 I CA 0.770 62.089 61.300 0.031 0.000 1.404 471 I CB -0.269 37.745 38.000 0.023 0.000 1.071 471 I HN 0.181 nan 8.210 nan 0.000 0.419 472 F N 1.908 121.809 119.950 -0.082 0.000 2.146 472 F HA -0.155 4.393 4.527 0.035 0.000 0.298 472 F C 2.403 178.173 175.800 -0.049 0.000 1.096 472 F CA 1.225 59.163 58.000 -0.102 0.000 1.275 472 F CB -0.625 38.258 39.000 -0.196 0.000 1.008 472 F HN 0.005 nan 8.300 nan 0.000 0.480 473 A N 0.017 122.778 122.820 -0.099 0.000 1.933 473 A HA -0.204 4.136 4.320 0.034 0.000 0.218 473 A C 2.164 179.623 177.584 -0.208 0.000 1.175 473 A CA 1.661 53.574 52.037 -0.208 0.000 0.628 473 A CB -0.791 18.112 19.000 -0.162 0.000 0.814 473 A HN 0.591 nan 8.150 nan 0.000 0.444 474 Q N -0.692 119.026 119.800 -0.137 0.000 2.119 474 Q HA -0.142 4.218 4.340 0.034 0.000 0.201 474 Q C 2.336 178.238 176.000 -0.164 0.000 0.972 474 Q CA 1.347 57.077 55.803 -0.123 0.000 0.847 474 Q CB -0.166 28.526 28.738 -0.075 0.000 0.903 474 Q HN 0.625 nan 8.270 nan 0.000 0.433 475 R N 0.315 120.706 120.500 -0.182 0.000 2.091 475 R HA -0.129 4.231 4.340 0.034 0.000 0.238 475 R C 2.276 178.297 176.300 -0.466 0.000 1.136 475 R CA 1.193 57.101 56.100 -0.319 0.000 0.959 475 R CB -0.329 29.855 30.300 -0.193 0.000 0.856 475 R HN 0.239 nan 8.270 nan 0.000 0.437 476 L N -0.047 120.989 121.223 -0.311 0.000 2.109 476 L HA -0.104 4.256 4.340 0.034 0.000 0.207 476 L C 2.515 179.344 176.870 -0.067 0.000 1.086 476 L CA 1.100 55.848 54.840 -0.153 0.000 0.760 476 L CB -0.295 41.538 42.059 -0.376 0.000 0.910 476 L HN 0.190 nan 8.230 nan 0.000 0.437 477 M N -0.663 118.836 119.600 -0.168 0.000 2.149 477 M HA -0.216 4.284 4.480 0.034 0.000 0.261 477 M C 2.317 178.615 176.300 -0.003 0.000 1.064 477 M CA 1.635 56.869 55.300 -0.110 0.000 1.102 477 M CB -0.308 32.212 32.600 -0.132 0.000 1.369 477 M HN 0.089 nan 8.290 nan 0.000 0.408 478 K N -0.376 119.989 120.400 -0.059 0.000 2.057 478 K HA -0.138 4.202 4.320 0.034 0.000 0.206 478 K C 1.921 178.582 176.600 0.102 0.000 1.050 478 K CA 1.487 57.755 56.287 -0.032 0.000 0.935 478 K CB -0.127 32.300 32.500 -0.122 0.000 0.715 478 K HN 0.285 nan 8.250 nan 0.000 0.439 479 Y N -0.097 120.334 120.300 0.220 0.000 2.114 479 Y HA -0.230 4.340 4.550 0.033 0.000 0.284 479 Y C 2.346 178.377 175.900 0.219 0.000 1.143 479 Y CA 0.780 59.039 58.100 0.265 0.000 1.135 479 Y CB -0.895 37.858 38.460 0.489 0.000 0.980 479 Y HN 0.212 nan 8.280 nan 0.000 0.499 480 W N 0.638 122.018 121.300 0.135 0.000 2.338 480 W HA -0.237 4.442 4.660 0.033 0.000 0.304 480 W C 2.400 178.920 176.519 0.002 0.000 1.212 480 W CA 2.281 59.638 57.345 0.021 0.000 1.264 480 W CB -0.614 28.781 29.460 -0.108 0.000 1.142 480 W HN 0.252 nan 8.180 nan 0.000 0.512 481 T N -2.769 111.890 114.554 0.176 0.000 3.014 481 T HA -0.084 4.286 4.350 0.034 0.000 0.263 481 T C 1.399 176.126 174.700 0.044 0.000 1.078 481 T CA 0.910 63.047 62.100 0.060 0.000 1.135 481 T CB -0.508 68.373 68.868 0.023 0.000 0.895 481 T HN -0.084 nan 8.240 nan 0.000 0.480 482 N N 0.857 119.603 118.700 0.077 0.000 2.188 482 N HA 0.028 4.788 4.740 0.034 0.000 0.184 482 N C 1.333 176.845 175.510 0.004 0.000 1.018 482 N CA 0.830 53.905 53.050 0.042 0.000 0.858 482 N CB -0.576 37.957 38.487 0.076 0.000 0.989 482 N HN 0.456 nan 8.380 nan 0.000 0.426 483 F N 1.769 121.638 119.950 -0.135 0.000 2.146 483 F HA -0.014 4.533 4.527 0.034 0.000 0.298 483 F C 2.174 177.895 175.800 -0.131 0.000 1.096 483 F CA 1.184 59.056 58.000 -0.213 0.000 1.275 483 F CB -0.470 38.322 39.000 -0.346 0.000 1.008 483 F HN 0.016 nan 8.300 nan 0.000 0.480 484 A N 0.371 123.110 122.820 -0.135 0.000 1.933 484 A HA -0.206 4.134 4.320 0.034 0.000 0.218 484 A C 2.399 179.873 177.584 -0.182 0.000 1.175 484 A CA 1.804 53.738 52.037 -0.173 0.000 0.628 484 A CB -0.798 18.169 19.000 -0.055 0.000 0.814 484 A HN 0.480 nan 8.150 nan 0.000 0.444 485 R N -1.011 119.409 120.500 -0.133 0.000 2.093 485 R HA -0.068 4.292 4.340 0.034 0.000 0.224 485 R C 1.847 178.067 176.300 -0.134 0.000 1.101 485 R CA 1.871 57.909 56.100 -0.103 0.000 0.979 485 R CB -0.008 30.259 30.300 -0.055 0.000 0.877 485 R HN 0.648 nan 8.270 nan 0.000 0.441 486 T N -5.814 108.637 114.554 -0.172 0.000 2.986 486 T HA 0.252 4.622 4.350 0.034 0.000 0.264 486 T C 1.055 175.641 174.700 -0.189 0.000 0.964 486 T CA 0.424 62.439 62.100 -0.143 0.000 0.895 486 T CB 1.206 70.026 68.868 -0.079 0.000 1.163 486 T HN 0.295 nan 8.240 nan 0.000 0.517 487 G N 1.207 109.782 108.800 -0.376 0.000 2.157 487 G HA2 -0.149 3.831 3.960 0.034 0.000 0.248 487 G HA3 -0.149 3.831 3.960 0.034 0.000 0.248 487 G C -0.376 174.474 174.900 -0.084 0.000 0.979 487 G CA 0.174 45.025 45.100 -0.415 0.000 0.650 487 G HN 0.806 nan 8.290 nan 0.000 0.529 488 D N -0.657 119.678 120.400 -0.109 0.000 2.736 488 D HA 0.455 5.116 4.640 0.034 0.000 0.243 488 D C -1.624 174.522 176.300 -0.256 0.000 1.304 488 D CA -1.563 52.310 54.000 -0.212 0.000 0.934 488 D CB 2.112 42.880 40.800 -0.054 0.000 1.382 488 D HN -0.017 nan 8.370 nan 0.000 0.571 489 P HA -0.006 nan 4.420 nan 0.000 0.237 489 P C -0.048 177.277 177.300 0.042 0.000 1.178 489 P CA 0.039 62.976 63.100 -0.271 0.000 0.766 489 P CB 0.361 31.617 31.700 -0.739 0.000 0.876 490 N N 1.616 120.307 118.700 -0.016 0.000 2.520 490 N HA 0.039 4.799 4.740 0.034 0.000 0.273 490 N C -0.154 175.435 175.510 0.133 0.000 1.155 490 N CA 0.165 53.300 53.050 0.142 0.000 0.967 490 N CB 0.467 39.023 38.487 0.114 0.000 1.092 490 N HN -0.048 nan 8.380 nan 0.000 0.457 491 D N 2.228 122.730 120.400 0.170 0.000 2.338 491 D HA 0.145 4.805 4.640 0.034 0.000 0.255 491 D C -1.457 174.892 176.300 0.082 0.000 1.237 491 D CA -1.784 52.282 54.000 0.110 0.000 0.883 491 D CB 1.007 41.869 40.800 0.103 0.000 1.087 491 D HN 0.277 nan 8.370 nan 0.000 0.485 492 P HA -0.073 nan 4.420 nan 0.000 0.220 492 P C 0.518 177.844 177.300 0.043 0.000 1.148 492 P CA 0.824 63.953 63.100 0.048 0.000 0.803 492 P CB 0.066 31.786 31.700 0.033 0.000 0.782 493 R N 0.521 121.045 120.500 0.040 0.000 4.792 493 R HA 0.227 4.587 4.340 0.034 0.000 0.205 493 R C -0.175 176.150 176.300 0.042 0.000 1.875 493 R CA 0.258 56.379 56.100 0.035 0.000 1.588 493 R CB -1.810 28.506 30.300 0.027 0.000 1.401 493 R HN 0.062 nan 8.270 nan 0.000 0.834 494 D N -1.393 119.037 120.400 0.051 0.000 2.688 494 D HA 0.374 5.034 4.640 0.034 0.000 0.210 494 D C 0.578 176.915 176.300 0.061 0.000 1.333 494 D CA 0.466 54.501 54.000 0.058 0.000 0.920 494 D CB 1.539 42.385 40.800 0.076 0.000 1.554 494 D HN 0.152 nan 8.370 nan 0.000 0.579 495 S N 1.885 117.616 115.700 0.051 0.000 2.468 495 S HA 0.144 4.635 4.470 0.034 0.000 0.226 495 S C 1.742 176.372 174.600 0.052 0.000 1.051 495 S CA 0.999 59.228 58.200 0.050 0.000 0.943 495 S CB -0.073 63.151 63.200 0.039 0.000 0.810 495 S HN 0.409 nan 8.310 nan 0.000 0.509 496 K N 2.173 122.602 120.400 0.048 0.000 2.574 496 K HA 0.370 4.710 4.320 0.034 0.000 0.193 496 K C 1.451 178.085 176.600 0.057 0.000 1.035 496 K CA 1.154 57.468 56.287 0.045 0.000 0.982 496 K CB -1.671 30.850 32.500 0.036 0.000 0.795 496 K HN 1.305 nan 8.250 nan 0.000 0.491 497 S N -0.066 115.679 115.700 0.076 0.000 3.890 497 S HA -0.206 4.285 4.470 0.034 0.000 0.541 497 S C -1.043 173.613 174.600 0.093 0.000 1.818 497 S CA 0.675 58.934 58.200 0.098 0.000 3.885 497 S CB -2.508 60.748 63.200 0.093 0.000 1.602 497 S HN 0.665 nan 8.310 nan 0.000 0.782 498 P HA 0.313 nan 4.420 nan 0.000 0.274 498 P C -0.636 176.732 177.300 0.112 0.000 1.260 498 P CA -0.317 62.829 63.100 0.076 0.000 0.793 498 P CB 0.264 31.991 31.700 0.046 0.000 1.048 499 Q N -0.409 119.465 119.800 0.123 0.000 2.235 499 Q HA 0.135 4.495 4.340 0.034 0.000 0.250 499 Q C -0.601 175.544 176.000 0.242 0.000 0.909 499 Q CA -0.159 55.753 55.803 0.181 0.000 0.910 499 Q CB 0.880 29.714 28.738 0.160 0.000 1.223 499 Q HN 0.537 nan 8.270 nan 0.000 0.432 500 W N 6.462 127.808 121.300 0.076 0.000 2.585 500 W HA 0.239 4.920 4.660 0.036 0.000 0.337 500 W C -2.391 174.256 176.519 0.213 0.000 1.226 500 W CA -2.305 55.097 57.345 0.095 0.000 1.463 500 W CB -0.078 29.380 29.460 -0.003 0.000 1.458 500 W HN 0.380 nan 8.180 nan 0.000 0.458 501 P HA 0.271 nan 4.420 nan 0.000 0.277 501 P C -2.567 174.911 177.300 0.296 0.000 1.240 501 P CA -1.716 61.591 63.100 0.344 0.000 0.798 501 P CB 0.381 32.206 31.700 0.209 0.000 0.979 502 P HA 0.047 nan 4.420 nan 0.000 0.268 502 P C -0.734 176.550 177.300 -0.026 0.000 1.205 502 P CA 0.060 62.972 63.100 -0.314 0.000 0.771 502 P CB 0.064 31.545 31.700 -0.364 0.000 0.858 503 Y N 3.143 123.384 120.300 -0.098 0.000 2.442 503 Y HA 0.322 4.891 4.550 0.033 0.000 0.330 503 Y C 0.462 176.348 175.900 -0.024 0.000 1.129 503 Y CA 0.766 58.873 58.100 0.013 0.000 1.365 503 Y CB 0.257 38.744 38.460 0.044 0.000 1.233 503 Y HN 0.420 nan 8.280 nan 0.000 0.529 504 T N 0.134 114.413 114.554 -0.459 0.000 2.901 504 T HA 0.266 4.637 4.350 0.034 0.000 0.293 504 T C 0.813 175.257 174.700 -0.427 0.000 1.084 504 T CA -0.216 61.715 62.100 -0.281 0.000 1.008 504 T CB 1.273 70.050 68.868 -0.151 0.000 1.170 504 T HN 0.631 nan 8.240 nan 0.000 0.509 505 T N -0.974 113.479 114.554 -0.167 0.000 2.857 505 T HA 0.104 4.474 4.350 0.034 0.000 0.266 505 T C 2.211 176.850 174.700 -0.101 0.000 1.048 505 T CA 0.873 62.914 62.100 -0.099 0.000 1.139 505 T CB -0.783 68.090 68.868 0.008 0.000 0.874 505 T HN 0.858 nan 8.240 nan 0.000 0.455 506 A N 2.217 124.985 122.820 -0.087 0.000 1.825 506 A HA 0.424 4.764 4.320 0.034 0.000 0.214 506 A C 2.806 180.346 177.584 -0.074 0.000 1.206 506 A CA 1.826 53.828 52.037 -0.058 0.000 0.609 506 A CB -1.473 17.503 19.000 -0.040 0.000 0.851 506 A HN 0.731 nan 8.150 nan 0.000 0.445 507 A N -2.051 120.709 122.820 -0.100 0.000 1.970 507 A HA 0.111 4.451 4.320 0.034 0.000 0.216 507 A C 1.056 178.576 177.584 -0.107 0.000 1.170 507 A CA 1.135 53.126 52.037 -0.078 0.000 0.645 507 A CB -0.458 18.507 19.000 -0.058 0.000 0.816 507 A HN 0.654 nan 8.150 nan 0.000 0.447 508 Q N -0.555 119.076 119.800 -0.282 0.000 2.453 508 Q HA -0.217 4.144 4.340 0.034 0.000 0.294 508 Q C -0.816 175.183 176.000 -0.002 0.000 1.295 508 Q CA 0.664 56.222 55.803 -0.409 0.000 0.853 508 Q CB -1.863 26.807 28.738 -0.112 0.000 1.193 508 Q HN 0.849 nan 8.270 nan 0.000 0.461 509 Q N 0.570 120.379 119.800 0.015 0.000 2.286 509 Q HA 0.459 4.819 4.340 0.034 0.000 0.257 509 Q C -0.328 175.941 176.000 0.449 0.000 0.941 509 Q CA -0.057 55.858 55.803 0.187 0.000 0.912 509 Q CB 0.529 29.327 28.738 0.100 0.000 1.192 509 Q HN 0.355 nan 8.270 nan 0.000 0.410 510 Y N -0.938 119.506 120.300 0.241 0.000 2.705 510 Y HA 0.788 5.358 4.550 0.032 0.000 0.332 510 Y C -0.861 175.081 175.900 0.070 0.000 1.157 510 Y CA -1.539 56.718 58.100 0.262 0.000 1.091 510 Y CB 0.515 39.127 38.460 0.252 0.000 1.301 510 Y HN 0.334 nan 8.280 nan 0.000 0.488 511 V N -0.872 119.007 119.914 -0.059 0.000 2.914 511 V HA 0.819 4.959 4.120 0.034 0.000 0.314 511 V C -0.464 175.554 176.094 -0.127 0.000 1.084 511 V CA -0.713 61.380 62.300 -0.345 0.000 0.963 511 V CB 1.350 32.689 31.823 -0.806 0.000 1.025 511 V HN 1.176 nan 8.190 nan 0.000 0.432 512 S N 3.548 119.165 115.700 -0.137 0.000 2.489 512 S HA 0.704 5.194 4.470 0.034 0.000 0.277 512 S C -0.426 174.148 174.600 -0.044 0.000 1.230 512 S CA -0.649 57.544 58.200 -0.013 0.000 1.053 512 S CB 0.594 63.774 63.200 -0.034 0.000 0.955 512 S HN 0.769 nan 8.310 nan 0.000 0.488 513 L N 4.268 125.522 121.223 0.052 0.000 2.264 513 L HA 0.492 4.852 4.340 0.034 0.000 0.287 513 L C -0.146 176.672 176.870 -0.087 0.000 1.039 513 L CA -0.409 54.495 54.840 0.107 0.000 0.829 513 L CB -0.204 42.027 42.059 0.288 0.000 1.211 513 L HN 0.920 nan 8.230 nan 0.000 0.427 514 N N 2.120 120.675 118.700 -0.241 0.000 3.439 514 N HA 0.349 5.110 4.740 0.034 0.000 0.313 514 N C 0.196 175.129 175.510 -0.962 0.000 1.598 514 N CA -0.961 51.669 53.050 -0.699 0.000 0.830 514 N CB 0.650 38.904 38.487 -0.388 0.000 1.849 514 N HN 0.163 nan 8.380 nan 0.000 0.598 515 L N -0.786 119.896 121.223 -0.901 0.000 2.217 515 L HA 0.122 4.483 4.340 0.034 0.000 0.211 515 L C 0.593 177.253 176.870 -0.351 0.000 1.107 515 L CA 0.862 55.270 54.840 -0.720 0.000 0.783 515 L CB -0.452 41.273 42.059 -0.555 0.000 0.919 515 L HN 0.383 nan 8.230 nan 0.000 0.442 516 K N 0.448 120.691 120.400 -0.261 0.000 2.219 516 K HA 0.212 4.552 4.320 0.034 0.000 0.258 516 K C -2.159 174.380 176.600 -0.101 0.000 1.008 516 K CA -1.820 54.381 56.287 -0.144 0.000 0.928 516 K CB -0.037 32.395 32.500 -0.112 0.000 0.983 516 K HN -0.182 nan 8.250 nan 0.000 0.484 517 P HA -0.010 nan 4.420 nan 0.000 0.270 517 P C -0.334 176.957 177.300 -0.016 0.000 1.223 517 P CA -0.197 62.901 63.100 -0.003 0.000 0.785 517 P CB 0.359 32.063 31.700 0.007 0.000 0.923 518 L N 1.085 122.313 121.223 0.009 0.000 2.678 518 L HA -0.095 4.266 4.340 0.034 0.000 0.285 518 L C 1.219 178.041 176.870 -0.080 0.000 1.233 518 L CA 0.823 55.625 54.840 -0.065 0.000 0.920 518 L CB -0.404 41.603 42.059 -0.086 0.000 1.176 518 L HN 0.518 nan 8.230 nan 0.000 0.495 519 E N 3.596 123.727 120.200 -0.116 0.000 2.183 519 E HA 0.427 4.797 4.350 0.034 0.000 0.271 519 E C -1.373 175.124 176.600 -0.172 0.000 0.919 519 E CA -0.826 55.507 56.400 -0.112 0.000 0.781 519 E CB 1.991 31.634 29.700 -0.094 0.000 1.140 519 E HN 0.299 nan 8.360 nan 0.000 0.402 520 V N 5.127 124.953 119.914 -0.147 0.000 2.383 520 V HA 0.400 4.540 4.120 0.034 0.000 0.275 520 V C 0.248 176.205 176.094 -0.229 0.000 1.036 520 V CA -0.390 61.800 62.300 -0.183 0.000 0.889 520 V CB 0.987 32.761 31.823 -0.082 0.000 0.985 520 V HN 0.686 nan 8.190 nan 0.000 0.459 521 R N 4.072 124.309 120.500 -0.438 0.000 2.902 521 R HA 0.767 5.128 4.340 0.034 0.000 0.258 521 R C -0.785 175.316 176.300 -0.333 0.000 1.071 521 R CA -1.050 54.779 56.100 -0.452 0.000 1.024 521 R CB 2.293 32.157 30.300 -0.726 0.000 1.184 521 R HN 0.568 nan 8.270 nan 0.000 0.492 522 R N -0.282 120.194 120.500 -0.039 0.000 2.621 522 R HA 0.470 4.831 4.340 0.034 0.000 0.292 522 R C -0.796 175.695 176.300 0.319 0.000 0.969 522 R CA -0.458 55.731 56.100 0.148 0.000 0.887 522 R CB 2.244 32.586 30.300 0.070 0.000 1.180 522 R HN 0.900 nan 8.270 nan 0.000 0.450 523 G N 2.178 111.204 108.800 0.377 0.000 3.450 523 G HA2 -0.210 3.771 3.960 0.034 0.000 0.668 523 G HA3 -0.210 3.771 3.960 0.034 0.000 0.668 523 G C -1.167 173.904 174.900 0.283 0.000 0.941 523 G CA -0.890 44.382 45.100 0.287 0.000 0.766 523 G HN 0.367 nan 8.290 nan 0.000 0.451 524 L N 4.275 125.558 121.223 0.100 0.000 2.328 524 L HA 0.540 4.900 4.340 0.034 0.000 0.280 524 L C 1.523 178.395 176.870 0.004 0.000 1.111 524 L CA -0.485 54.260 54.840 -0.159 0.000 0.909 524 L CB -0.169 41.721 42.059 -0.281 0.000 1.277 524 L HN 0.691 nan 8.230 nan 0.000 0.433 525 R N 2.784 123.323 120.500 0.066 0.000 3.251 525 R HA -0.270 4.090 4.340 0.034 0.000 0.249 525 R C 1.232 177.617 176.300 0.141 0.000 0.949 525 R CA 0.712 56.886 56.100 0.123 0.000 0.645 525 R CB -2.063 28.320 30.300 0.138 0.000 1.065 525 R HN 0.755 nan 8.270 nan 0.000 0.452 526 A N 0.568 123.469 122.820 0.135 0.000 1.877 526 A HA -0.216 4.124 4.320 0.034 0.000 0.216 526 A C 2.070 179.735 177.584 0.136 0.000 1.186 526 A CA 1.111 53.228 52.037 0.133 0.000 0.620 526 A CB -0.072 19.003 19.000 0.125 0.000 0.822 526 A HN 0.394 nan 8.150 nan 0.000 0.443 527 Q N -0.643 119.236 119.800 0.131 0.000 2.046 527 Q HA -0.112 4.248 4.340 0.034 0.000 0.200 527 Q C 2.197 178.300 176.000 0.171 0.000 0.975 527 Q CA 2.060 57.942 55.803 0.131 0.000 0.836 527 Q CB -1.202 27.602 28.738 0.110 0.000 0.896 527 Q HN 0.612 nan 8.270 nan 0.000 0.428 528 T N 0.512 115.192 114.554 0.209 0.000 2.915 528 T HA -0.102 4.268 4.350 0.034 0.000 0.269 528 T C 1.933 176.831 174.700 0.331 0.000 1.071 528 T CA 0.947 63.202 62.100 0.258 0.000 1.132 528 T CB -0.157 68.904 68.868 0.322 0.000 0.878 528 T HN 0.315 nan 8.240 nan 0.000 0.479 529 c N 1.296 120.075 118.600 0.298 0.000 2.485 529 c HA 0.325 4.915 4.570 0.034 0.000 0.277 529 c C 3.084 177.318 174.090 0.240 0.000 1.376 529 c CA -0.126 56.391 56.329 0.314 0.000 1.759 529 c CB -1.259 41.378 42.510 0.212 0.000 1.970 529 c HN 0.633 nan 8.230 nan 0.000 0.509 530 A N 0.389 123.318 122.820 0.181 0.000 1.940 530 A HA -0.218 4.122 4.320 0.034 0.000 0.219 530 A C 1.856 179.524 177.584 0.140 0.000 1.176 530 A CA 1.660 53.782 52.037 0.142 0.000 0.631 530 A CB -0.785 18.285 19.000 0.117 0.000 0.814 530 A HN 0.539 nan 8.150 nan 0.000 0.446 531 F N -0.880 119.036 119.950 -0.056 0.000 2.069 531 F HA -0.179 4.371 4.527 0.037 0.000 0.298 531 F C 1.966 177.693 175.800 -0.121 0.000 1.113 531 F CA 1.806 59.680 58.000 -0.211 0.000 1.214 531 F CB -0.591 37.999 39.000 -0.683 0.000 0.978 531 F HN 0.390 nan 8.300 nan 0.000 0.474 532 W N 0.329 121.592 121.300 -0.060 0.000 2.418 532 W HA -0.093 4.586 4.660 0.032 0.000 0.292 532 W C 2.142 178.608 176.519 -0.088 0.000 1.213 532 W CA 0.867 58.142 57.345 -0.116 0.000 1.283 532 W CB -0.438 29.072 29.460 0.084 0.000 1.119 532 W HN -0.045 nan 8.180 nan 0.000 0.542 533 N N -0.464 118.355 118.700 0.199 0.000 2.409 533 N HA 0.052 4.813 4.740 0.034 0.000 0.174 533 N C 1.460 177.003 175.510 0.055 0.000 1.037 533 N CA 0.818 53.937 53.050 0.114 0.000 0.898 533 N CB -0.113 38.440 38.487 0.110 0.000 1.010 533 N HN 0.198 nan 8.380 nan 0.000 0.445 534 R N -1.349 119.184 120.500 0.054 0.000 2.194 534 R HA 0.248 4.608 4.340 0.034 0.000 0.194 534 R C 1.349 177.674 176.300 0.041 0.000 0.985 534 R CA 0.056 56.186 56.100 0.050 0.000 1.104 534 R CB -0.041 30.308 30.300 0.082 0.000 1.092 534 R HN 0.039 nan 8.270 nan 0.000 0.555 535 F N 0.941 120.804 119.950 -0.146 0.000 2.188 535 F HA 0.106 4.654 4.527 0.035 0.000 0.289 535 F C 1.806 177.445 175.800 -0.268 0.000 1.082 535 F CA 0.824 58.710 58.000 -0.189 0.000 1.282 535 F CB -0.181 38.706 39.000 -0.188 0.000 1.060 535 F HN -0.155 nan 8.300 nan 0.000 0.493 536 L N 1.091 122.002 121.223 -0.521 0.000 2.043 536 L HA -0.155 4.205 4.340 0.034 0.000 0.212 536 L C -0.462 176.178 176.870 -0.383 0.000 1.075 536 L CA 2.157 56.646 54.840 -0.585 0.000 0.752 536 L CB -2.204 39.521 42.059 -0.556 0.000 0.891 536 L HN 0.117 nan 8.230 nan 0.000 0.432 537 P HA -0.195 nan 4.420 nan 0.000 0.216 537 P C 1.412 178.588 177.300 -0.206 0.000 1.150 537 P CA 1.452 64.454 63.100 -0.162 0.000 0.843 537 P CB -0.013 31.629 31.700 -0.096 0.000 0.787 538 K N -1.276 118.955 120.400 -0.281 0.000 2.280 538 K HA -0.081 4.259 4.320 0.034 0.000 0.202 538 K C 0.258 176.660 176.600 -0.331 0.000 1.047 538 K CA 0.523 56.641 56.287 -0.283 0.000 0.942 538 K CB -0.499 31.832 32.500 -0.282 0.000 0.739 538 K HN 0.039 nan 8.250 nan 0.000 0.457 539 L N 2.457 123.416 121.223 -0.440 0.000 2.448 539 L HA 0.128 4.488 4.340 0.034 0.000 0.278 539 L C -0.536 176.221 176.870 -0.188 0.000 1.201 539 L CA 0.360 55.013 54.840 -0.312 0.000 1.036 539 L CB -0.836 41.016 42.059 -0.345 0.000 1.325 539 L HN 0.005 nan 8.230 nan 0.000 0.441 540 L N 0.000 121.139 121.223 -0.140 0.000 2.949 540 L HA 0.000 4.360 4.340 0.034 0.000 0.249 540 L CA 0.000 54.783 54.840 -0.094 0.000 0.813 540 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502