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 2a7s_1_E DATA FIRST_RESID 20 DATA SEQUENCE IDIHTTAGKL AELHKRREES LHPVGEDAVE KVHAKGKLTA RERIYALLDE DATA SEQUENCE DSFVELDALA KHRSTNFNLG EKRPLGDGVV TGYGTIDGRD VCIFSQDATV DATA SEQUENCE FGGSLGEVYG EKIVKVQELA IKTGRPLIGI NDGAGARIQE GVVSLGLYSR DATA SEQUENCE IFRNNILASG VIPQISLIMG AAAGGHVYSP ALTDFVIMVD QTSQMFITGP DATA SEQUENCE DVIKTVTGEE VTMEELGGAH THMAKSGTAH YAASGEQDAF DYVRELLSYL DATA SEQUENCE PPNNSTDAPR YQAAAPTGPI EENLTDEDLE LDTLIPDSPN QPYDMHEVIT DATA SEQUENCE RLLDDEFLEI QAGYAQNIVV GFGRIDGRPV GIVANQPTHF AGCLDINASE DATA SEQUENCE KAARFVRTCD CFNIPIVMLV DVPGFLPGTD QEYNGIIRRG AKLLYAYGEA DATA SEQUENCE TVPKITVITR KAYGGAYCVM GSKDMGCDVN LAWPTAQIAV MGASGAVGFV DATA SEQUENCE YRQQLAEAAA NGEDIDKLRL RLQQEYEDTL VNPYVAAERG YVDAVIPPSH DATA SEQUENCE TRGYIGTALR LLERKIAQLP PKKHGNVPL 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.095 176.117 -0.036 0.000 1.063 20 I CA 0.000 61.290 61.300 -0.016 0.000 1.566 20 I CB 0.000 37.990 38.000 -0.017 0.000 1.214 21 D N 2.220 122.600 120.400 -0.033 0.000 2.338 21 D HA 0.250 4.890 4.640 0.000 0.000 0.255 21 D C 1.090 177.352 176.300 -0.063 0.000 1.237 21 D CA -0.137 53.825 54.000 -0.063 0.000 0.883 21 D CB 1.090 41.874 40.800 -0.025 0.000 1.087 21 D HN 0.353 nan 8.370 nan 0.000 0.485 22 I N 4.167 124.651 120.570 -0.143 0.000 3.334 22 I HA -0.091 4.079 4.170 0.000 0.000 0.282 22 I C 0.746 176.889 176.117 0.043 0.000 1.313 22 I CA 0.905 62.155 61.300 -0.083 0.000 1.396 22 I CB -0.352 37.579 38.000 -0.115 0.000 1.054 22 I HN 0.496 nan 8.210 nan 0.000 0.495 23 H N -1.129 117.942 119.070 0.001 0.000 2.648 23 H HA 0.315 4.871 4.556 0.000 0.000 0.265 23 H C 0.922 176.251 175.328 0.001 0.000 0.961 23 H CA 0.653 56.702 56.048 0.000 0.000 1.185 23 H CB -0.378 29.384 29.762 0.000 0.000 1.449 23 H HN 0.314 nan 8.280 nan 0.000 0.523 24 T N -2.588 112.035 114.554 0.115 0.000 2.912 24 T HA 0.203 4.553 4.350 0.000 0.000 0.280 24 T C 1.449 176.177 174.700 0.047 0.000 0.989 24 T CA -0.426 61.713 62.100 0.066 0.000 0.995 24 T CB 1.727 70.623 68.868 0.046 0.000 1.077 24 T HN -0.074 nan 8.240 nan 0.000 0.531 25 T N 1.055 115.629 114.554 0.033 0.000 2.821 25 T HA -0.000 4.350 4.350 0.000 0.000 0.267 25 T C 2.332 177.049 174.700 0.027 0.000 1.046 25 T CA 1.291 63.407 62.100 0.026 0.000 1.139 25 T CB -0.722 68.157 68.868 0.019 0.000 0.871 25 T HN 0.791 nan 8.240 nan 0.000 0.454 26 A N 1.190 124.027 122.820 0.027 0.000 1.969 26 A HA 0.195 4.515 4.320 0.000 0.000 0.218 26 A C 2.561 180.164 177.584 0.032 0.000 1.169 26 A CA 1.642 53.696 52.037 0.030 0.000 0.635 26 A CB -1.125 17.889 19.000 0.023 0.000 0.810 26 A HN 0.504 nan 8.150 nan 0.000 0.445 27 G N -0.143 108.673 108.800 0.027 0.000 2.394 27 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 27 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 27 G C 1.645 176.558 174.900 0.022 0.000 1.165 27 G CA 0.909 46.020 45.100 0.020 0.000 0.784 27 G HN 0.565 nan 8.290 nan 0.000 0.535 28 K N -0.280 120.135 120.400 0.025 0.000 2.097 28 K HA 0.022 4.342 4.320 0.000 0.000 0.205 28 K C 2.294 178.899 176.600 0.008 0.000 1.050 28 K CA 0.847 57.144 56.287 0.017 0.000 0.938 28 K CB -0.233 32.279 32.500 0.020 0.000 0.718 28 K HN 0.291 nan 8.250 nan 0.000 0.442 29 L N 0.908 122.144 121.223 0.022 0.000 2.201 29 L HA -0.021 4.319 4.340 0.000 0.000 0.212 29 L C 2.079 179.004 176.870 0.091 0.000 1.105 29 L CA 1.462 56.320 54.840 0.029 0.000 0.775 29 L CB -0.470 41.626 42.059 0.061 0.000 0.913 29 L HN 0.075 nan 8.230 nan 0.000 0.440 30 A N -0.710 122.165 122.820 0.092 0.000 1.929 30 A HA -0.146 4.174 4.320 0.000 0.000 0.216 30 A C 2.225 179.858 177.584 0.083 0.000 1.176 30 A CA 1.287 53.393 52.037 0.115 0.000 0.628 30 A CB -0.562 18.474 19.000 0.061 0.000 0.816 30 A HN 0.502 nan 8.150 nan 0.000 0.444 31 E N -0.027 120.194 120.200 0.034 0.000 2.077 31 E HA -0.170 4.180 4.350 0.000 0.000 0.193 31 E C 1.768 178.364 176.600 -0.007 0.000 0.989 31 E CA 1.249 57.657 56.400 0.012 0.000 0.800 31 E CB -0.428 29.272 29.700 -0.001 0.000 0.746 31 E HN 0.392 nan 8.360 nan 0.000 0.452 32 L N 0.313 121.508 121.223 -0.046 0.000 2.012 32 L HA -0.183 4.157 4.340 0.000 0.000 0.210 32 L C 1.912 178.703 176.870 -0.132 0.000 1.073 32 L CA 2.252 57.019 54.840 -0.120 0.000 0.748 32 L CB -0.868 41.063 42.059 -0.214 0.000 0.891 32 L HN 0.285 nan 8.230 nan 0.000 0.431 33 H N -0.974 118.090 119.070 -0.011 0.000 2.457 33 H HA -0.119 4.437 4.556 0.000 0.000 0.294 33 H C 2.148 177.470 175.328 -0.009 0.000 1.064 33 H CA 1.522 57.564 56.048 -0.009 0.000 1.330 33 H CB 0.076 29.834 29.762 -0.006 0.000 1.395 33 H HN 0.338 nan 8.280 nan 0.000 0.541 34 K N 1.002 121.456 120.400 0.091 0.000 2.103 34 K HA -0.095 4.225 4.320 0.000 0.000 0.204 34 K C 1.965 178.573 176.600 0.013 0.000 1.052 34 K CA 0.860 57.177 56.287 0.050 0.000 0.945 34 K CB 0.152 32.673 32.500 0.034 0.000 0.722 34 K HN 0.242 nan 8.250 nan 0.000 0.443 35 R N 0.278 120.773 120.500 -0.008 0.000 2.062 35 R HA -0.067 4.273 4.340 0.000 0.000 0.229 35 R C 2.561 178.836 176.300 -0.042 0.000 1.128 35 R CA 1.133 57.214 56.100 -0.031 0.000 0.960 35 R CB -0.259 30.018 30.300 -0.038 0.000 0.855 35 R HN 0.182 nan 8.270 nan 0.000 0.432 36 R N 1.039 121.520 120.500 -0.031 0.000 2.094 36 R HA -0.243 4.097 4.340 0.000 0.000 0.239 36 R C 2.139 178.422 176.300 -0.028 0.000 1.137 36 R CA 2.190 58.276 56.100 -0.024 0.000 0.943 36 R CB -0.194 30.105 30.300 -0.002 0.000 0.850 36 R HN 0.060 nan 8.270 nan 0.000 0.433 37 E N 0.786 120.982 120.200 -0.008 0.000 2.070 37 E HA -0.259 4.091 4.350 0.000 0.000 0.197 37 E C 1.722 178.196 176.600 -0.210 0.000 1.004 37 E CA 2.138 58.523 56.400 -0.026 0.000 0.805 37 E CB -0.226 29.499 29.700 0.042 0.000 0.744 37 E HN 0.499 nan 8.360 nan 0.000 0.451 38 E N -0.267 119.810 120.200 -0.204 0.000 2.153 38 E HA -0.189 4.161 4.350 0.000 0.000 0.194 38 E C 1.795 178.171 176.600 -0.373 0.000 0.988 38 E CA 1.374 57.568 56.400 -0.344 0.000 0.811 38 E CB -0.232 29.387 29.700 -0.134 0.000 0.746 38 E HN 0.385 nan 8.360 nan 0.000 0.466 39 S N 0.231 115.808 115.700 -0.205 0.000 2.447 39 S HA -0.090 4.380 4.470 0.000 0.000 0.233 39 S C 1.951 176.478 174.600 -0.123 0.000 1.006 39 S CA 0.591 58.714 58.200 -0.128 0.000 0.957 39 S CB -0.392 62.772 63.200 -0.061 0.000 0.773 39 S HN 0.330 nan 8.310 nan 0.000 0.507 40 L N 1.384 122.501 121.223 -0.177 0.000 2.217 40 L HA 0.028 4.368 4.340 0.000 0.000 0.211 40 L C 1.048 177.926 176.870 0.013 0.000 1.107 40 L CA 0.941 55.755 54.840 -0.043 0.000 0.783 40 L CB -0.637 41.452 42.059 0.050 0.000 0.919 40 L HN 0.663 nan 8.230 nan 0.000 0.442 41 H N -2.585 116.494 119.070 0.016 0.000 2.514 41 H HA 0.239 4.795 4.556 0.000 0.000 0.226 41 H C -2.372 172.950 175.328 -0.010 0.000 1.421 41 H CA -1.717 54.329 56.048 -0.003 0.000 1.394 41 H CB 0.028 29.789 29.762 -0.002 0.000 1.701 41 H HN -0.002 nan 8.280 nan 0.000 0.515 42 P HA -0.161 nan 4.420 nan 0.000 0.218 42 P C 1.081 178.373 177.300 -0.014 0.000 1.146 42 P CA 1.318 64.395 63.100 -0.037 0.000 0.820 42 P CB 0.197 31.879 31.700 -0.030 0.000 0.778 43 V N -4.753 115.162 119.914 0.001 0.000 2.940 43 V HA 0.719 4.839 4.120 0.000 0.000 0.366 43 V C 0.433 176.534 176.094 0.011 0.000 1.353 43 V CA -0.332 61.954 62.300 -0.023 0.000 1.232 43 V CB -0.306 31.470 31.823 -0.077 0.000 1.278 43 V HN 0.337 nan 8.190 nan 0.000 0.546 44 G N 0.578 109.423 108.800 0.075 0.000 2.675 44 G HA2 -0.122 3.838 3.960 0.000 0.000 0.686 44 G HA3 -0.122 3.838 3.960 0.000 0.000 0.686 44 G C -0.057 174.863 174.900 0.033 0.000 1.215 44 G CA 0.040 45.177 45.100 0.062 0.000 0.777 44 G HN 0.347 nan 8.290 nan 0.000 0.638 45 E N -0.028 120.133 120.200 -0.065 0.000 2.152 45 E HA -0.076 4.274 4.350 0.000 0.000 0.192 45 E C 1.859 178.414 176.600 -0.075 0.000 0.983 45 E CA 1.045 57.358 56.400 -0.145 0.000 0.818 45 E CB 0.096 29.632 29.700 -0.274 0.000 0.758 45 E HN 0.618 nan 8.360 nan 0.000 0.467 46 D N 0.913 121.282 120.400 -0.051 0.000 2.182 46 D HA -0.158 4.482 4.640 0.000 0.000 0.201 46 D C 1.901 178.179 176.300 -0.036 0.000 0.986 46 D CA 1.359 55.338 54.000 -0.035 0.000 0.847 46 D CB 0.048 40.833 40.800 -0.024 0.000 0.942 46 D HN 0.149 nan 8.370 nan 0.000 0.467 47 A N -0.284 122.515 122.820 -0.035 0.000 1.902 47 A HA -0.110 4.210 4.320 0.000 0.000 0.217 47 A C 2.421 179.962 177.584 -0.073 0.000 1.181 47 A CA 1.538 53.550 52.037 -0.041 0.000 0.623 47 A CB -0.723 18.257 19.000 -0.032 0.000 0.818 47 A HN 0.218 nan 8.150 nan 0.000 0.443 48 V N -0.222 119.636 119.914 -0.092 0.000 2.626 48 V HA -0.176 3.944 4.120 0.000 0.000 0.252 48 V C 2.448 178.372 176.094 -0.283 0.000 1.067 48 V CA 2.186 64.365 62.300 -0.201 0.000 1.081 48 V CB -0.637 31.101 31.823 -0.141 0.000 0.686 48 V HN 0.609 nan 8.190 nan 0.000 0.468 49 E N 0.633 120.766 120.200 -0.111 0.000 2.112 49 E HA -0.110 4.240 4.350 0.000 0.000 0.190 49 E C 2.194 178.793 176.600 -0.002 0.000 0.979 49 E CA 1.029 57.416 56.400 -0.021 0.000 0.814 49 E CB -0.120 29.583 29.700 0.005 0.000 0.762 49 E HN 0.523 nan 8.360 nan 0.000 0.460 50 K N -0.392 119.992 120.400 -0.026 0.000 2.211 50 K HA -0.040 4.280 4.320 0.000 0.000 0.203 50 K C 1.940 178.538 176.600 -0.002 0.000 1.050 50 K CA 1.013 57.297 56.287 -0.005 0.000 0.945 50 K CB 0.129 32.624 32.500 -0.009 0.000 0.732 50 K HN 0.040 nan 8.250 nan 0.000 0.451 51 V N 0.902 120.787 119.914 -0.050 0.000 2.407 51 V HA -0.181 3.939 4.120 0.000 0.000 0.245 51 V C 1.995 178.121 176.094 0.054 0.000 1.041 51 V CA 1.534 63.812 62.300 -0.036 0.000 1.040 51 V CB -0.517 31.236 31.823 -0.117 0.000 0.671 51 V HN 0.298 nan 8.190 nan 0.000 0.455 52 H N 0.518 119.603 119.070 0.025 0.000 2.423 52 H HA 0.065 4.621 4.556 0.000 0.000 0.297 52 H C 2.336 177.676 175.328 0.020 0.000 1.075 52 H CA 1.243 57.306 56.048 0.025 0.000 1.342 52 H CB -0.543 29.233 29.762 0.023 0.000 1.395 52 H HN 0.430 nan 8.280 nan 0.000 0.530 53 A N 1.140 124.044 122.820 0.140 0.000 2.019 53 A HA -0.150 4.170 4.320 0.000 0.000 0.219 53 A C 2.105 179.726 177.584 0.062 0.000 1.164 53 A CA 1.321 53.406 52.037 0.080 0.000 0.644 53 A CB -0.201 18.831 19.000 0.054 0.000 0.805 53 A HN 0.337 nan 8.150 nan 0.000 0.449 54 K N -1.602 118.837 120.400 0.065 0.000 2.426 54 K HA 0.215 4.535 4.320 0.000 0.000 0.193 54 K C 1.084 177.717 176.600 0.055 0.000 1.028 54 K CA 0.476 56.793 56.287 0.050 0.000 1.047 54 K CB 0.015 32.542 32.500 0.044 0.000 0.821 54 K HN 0.637 nan 8.250 nan 0.000 0.513 55 G N 2.249 111.095 108.800 0.076 0.000 2.159 55 G HA2 -0.284 3.676 3.960 0.000 0.000 0.256 55 G HA3 -0.284 3.676 3.960 0.000 0.000 0.256 55 G C -0.225 174.726 174.900 0.085 0.000 0.977 55 G CA 0.127 45.268 45.100 0.068 0.000 0.652 55 G HN 0.263 nan 8.290 nan 0.000 0.531 56 K N -0.344 120.122 120.400 0.109 0.000 2.090 56 K HA 0.732 5.052 4.320 0.000 0.000 0.249 56 K C 0.369 177.075 176.600 0.177 0.000 0.995 56 K CA -0.677 55.675 56.287 0.109 0.000 0.914 56 K CB 1.378 33.924 32.500 0.078 0.000 1.057 56 K HN 0.145 nan 8.250 nan 0.000 0.462 57 L N 1.389 122.706 121.223 0.156 0.000 2.343 57 L HA 0.238 4.578 4.340 0.000 0.000 0.275 57 L C 0.777 177.720 176.870 0.123 0.000 1.056 57 L CA -0.737 54.214 54.840 0.186 0.000 0.804 57 L CB 1.641 43.812 42.059 0.188 0.000 1.203 57 L HN 0.815 nan 8.230 nan 0.000 0.440 58 T N -0.635 113.981 114.554 0.103 0.000 2.860 58 T HA 0.244 4.594 4.350 0.000 0.000 0.299 58 T C 1.278 175.975 174.700 -0.005 0.000 1.045 58 T CA -0.051 62.062 62.100 0.021 0.000 1.071 58 T CB 1.380 70.245 68.868 -0.004 0.000 0.985 58 T HN 0.683 nan 8.240 nan 0.000 0.537 59 A N 1.805 124.611 122.820 -0.023 0.000 1.881 59 A HA -0.210 4.110 4.320 0.000 0.000 0.219 59 A C 2.509 179.989 177.584 -0.173 0.000 1.215 59 A CA 2.304 54.307 52.037 -0.058 0.000 0.648 59 A CB -1.110 17.867 19.000 -0.038 0.000 0.832 59 A HN 0.987 nan 8.150 nan 0.000 0.455 60 R N -0.545 119.828 120.500 -0.212 0.000 2.083 60 R HA -0.204 4.136 4.340 0.000 0.000 0.237 60 R C 2.185 178.094 176.300 -0.651 0.000 1.137 60 R CA 1.986 57.817 56.100 -0.449 0.000 0.951 60 R CB -0.321 29.808 30.300 -0.285 0.000 0.851 60 R HN 0.724 nan 8.270 nan 0.000 0.434 61 E N -0.368 119.678 120.200 -0.258 0.000 2.118 61 E HA -0.198 4.152 4.350 0.000 0.000 0.195 61 E C 2.176 178.687 176.600 -0.148 0.000 0.992 61 E CA 1.356 57.710 56.400 -0.076 0.000 0.804 61 E CB 0.084 29.847 29.700 0.106 0.000 0.741 61 E HN 0.304 nan 8.360 nan 0.000 0.458 62 R N 0.124 120.530 120.500 -0.156 0.000 2.081 62 R HA -0.123 4.217 4.340 0.000 0.000 0.235 62 R C 2.383 178.357 176.300 -0.542 0.000 1.131 62 R CA 1.251 57.230 56.100 -0.202 0.000 0.960 62 R CB -0.319 30.000 30.300 0.031 0.000 0.856 62 R HN 0.238 nan 8.270 nan 0.000 0.436 63 I N -0.163 120.076 120.570 -0.551 0.000 2.208 63 I HA -0.304 3.866 4.170 0.000 0.000 0.245 63 I C 1.854 177.656 176.117 -0.525 0.000 1.097 63 I CA 1.348 62.251 61.300 -0.662 0.000 1.363 63 I CB -0.363 37.060 38.000 -0.961 0.000 1.051 63 I HN 0.127 nan 8.210 nan 0.000 0.413 64 Y N 0.875 120.965 120.300 -0.351 0.000 2.224 64 Y HA -0.164 4.386 4.550 0.000 0.000 0.289 64 Y C 2.661 178.428 175.900 -0.222 0.000 1.146 64 Y CA 0.707 58.671 58.100 -0.226 0.000 1.182 64 Y CB -1.270 37.117 38.460 -0.121 0.000 0.983 64 Y HN 0.122 nan 8.280 nan 0.000 0.524 65 A N -0.434 122.298 122.820 -0.147 0.000 1.930 65 A HA -0.113 4.207 4.320 0.000 0.000 0.217 65 A C 2.236 179.626 177.584 -0.325 0.000 1.175 65 A CA 1.497 53.421 52.037 -0.189 0.000 0.627 65 A CB -0.927 17.982 19.000 -0.153 0.000 0.815 65 A HN 0.379 nan 8.150 nan 0.000 0.443 66 L N -0.275 120.573 121.223 -0.624 0.000 2.049 66 L HA 0.199 4.539 4.340 0.000 0.000 0.203 66 L C 0.971 177.717 176.870 -0.206 0.000 1.074 66 L CA 1.119 55.670 54.840 -0.482 0.000 0.749 66 L CB -0.537 41.152 42.059 -0.618 0.000 0.907 66 L HN 0.335 nan 8.230 nan 0.000 0.439 67 L N 0.397 121.511 121.223 -0.181 0.000 2.472 67 L HA 0.111 4.451 4.340 0.000 0.000 0.260 67 L C 0.411 177.267 176.870 -0.022 0.000 1.209 67 L CA -0.780 54.019 54.840 -0.067 0.000 0.817 67 L CB -0.117 41.926 42.059 -0.027 0.000 1.106 67 L HN 0.169 nan 8.230 nan 0.000 0.479 68 D N 0.373 120.777 120.400 0.006 0.000 2.349 68 D HA 0.033 4.673 4.640 0.000 0.000 0.239 68 D C -0.028 176.283 176.300 0.018 0.000 1.315 68 D CA -0.021 53.984 54.000 0.010 0.000 0.937 68 D CB 0.353 41.162 40.800 0.015 0.000 1.133 68 D HN 0.407 nan 8.370 nan 0.000 0.489 69 E N 0.583 120.787 120.200 0.006 0.000 2.316 69 E HA 0.008 4.358 4.350 0.000 0.000 0.275 69 E C -0.354 176.244 176.600 -0.005 0.000 1.029 69 E CA -0.086 56.309 56.400 -0.007 0.000 0.871 69 E CB 0.400 30.090 29.700 -0.018 0.000 1.022 69 E HN 0.259 nan 8.360 nan 0.000 0.418 70 D N 1.853 122.239 120.400 -0.023 0.000 2.811 70 D HA -0.188 4.452 4.640 0.000 0.000 0.231 70 D C 0.666 176.978 176.300 0.021 0.000 1.157 70 D CA 1.354 55.342 54.000 -0.021 0.000 0.716 70 D CB -1.496 39.283 40.800 -0.034 0.000 1.077 70 D HN 0.482 nan 8.370 nan 0.000 0.428 71 S N -1.459 114.282 115.700 0.067 0.000 2.511 71 S HA 0.109 4.579 4.470 0.000 0.000 0.214 71 S C 0.428 175.097 174.600 0.114 0.000 0.997 71 S CA -0.612 57.633 58.200 0.075 0.000 0.908 71 S CB 0.289 63.534 63.200 0.075 0.000 0.803 71 S HN 0.204 nan 8.310 nan 0.000 0.504 72 F N 3.138 123.082 119.950 -0.009 0.000 2.443 72 F HA 0.553 5.080 4.527 0.000 0.000 0.353 72 F C -0.543 175.184 175.800 -0.122 0.000 1.101 72 F CA -1.129 56.853 58.000 -0.031 0.000 1.226 72 F CB 1.097 40.164 39.000 0.112 0.000 1.140 72 F HN -0.069 nan 8.300 nan 0.000 0.557 73 V N 6.395 125.672 119.914 -1.063 0.000 2.380 73 V HA 0.215 4.335 4.120 0.000 0.000 0.286 73 V C -0.329 174.893 176.094 -1.454 0.000 1.015 73 V CA -0.965 60.668 62.300 -1.111 0.000 0.834 73 V CB 1.240 32.344 31.823 -1.197 0.000 1.009 73 V HN 0.781 nan 8.190 nan 0.000 0.428 74 E N 4.709 124.187 120.200 -1.204 0.000 2.313 74 E HA 0.622 4.972 4.350 0.000 0.000 0.272 74 E C -1.259 175.149 176.600 -0.320 0.000 1.038 74 E CA -0.495 55.451 56.400 -0.758 0.000 0.863 74 E CB 1.204 30.690 29.700 -0.356 0.000 1.060 74 E HN 0.600 nan 8.360 nan 0.000 0.402 75 L N 2.946 124.088 121.223 -0.134 0.000 2.330 75 L HA 0.289 4.629 4.340 0.000 0.000 0.271 75 L C -0.345 176.516 176.870 -0.016 0.000 1.013 75 L CA -0.956 53.860 54.840 -0.040 0.000 0.816 75 L CB 1.607 43.685 42.059 0.032 0.000 1.287 75 L HN 0.696 nan 8.230 nan 0.000 0.435 76 D N 1.338 121.728 120.400 -0.016 0.000 2.702 76 D HA -0.253 4.387 4.640 0.000 0.000 0.233 76 D C 1.185 177.475 176.300 -0.016 0.000 1.164 76 D CA 1.041 55.032 54.000 -0.015 0.000 0.638 76 D CB -0.560 40.234 40.800 -0.009 0.000 1.041 76 D HN 0.754 nan 8.370 nan 0.000 0.422 77 A N -0.506 122.301 122.820 -0.023 0.000 2.019 77 A HA -0.032 4.288 4.320 0.000 0.000 0.219 77 A C 2.108 179.680 177.584 -0.021 0.000 1.164 77 A CA 0.744 52.771 52.037 -0.016 0.000 0.644 77 A CB -0.013 18.974 19.000 -0.021 0.000 0.805 77 A HN 0.430 nan 8.150 nan 0.000 0.449 78 L N -0.511 120.696 121.223 -0.026 0.000 2.818 78 L HA 0.315 4.655 4.340 0.000 0.000 0.243 78 L C 0.920 177.776 176.870 -0.023 0.000 1.185 78 L CA -0.352 54.471 54.840 -0.028 0.000 0.988 78 L CB 0.013 42.050 42.059 -0.036 0.000 1.292 78 L HN 0.321 nan 8.230 nan 0.000 0.519 79 A N 0.980 123.791 122.820 -0.015 0.000 2.425 79 A HA 0.461 4.781 4.320 0.000 0.000 0.249 79 A C 0.021 177.605 177.584 0.000 0.000 1.084 79 A CA 0.243 52.276 52.037 -0.008 0.000 0.781 79 A CB 0.323 19.322 19.000 -0.001 0.000 1.019 79 A HN 0.276 nan 8.150 nan 0.000 0.490 80 K N 0.764 121.158 120.400 -0.010 0.000 2.464 80 K HA 0.374 4.694 4.320 0.000 0.000 0.253 80 K C -0.938 175.645 176.600 -0.028 0.000 0.933 80 K CA -0.830 55.437 56.287 -0.032 0.000 0.801 80 K CB 1.697 34.139 32.500 -0.096 0.000 1.271 80 K HN 0.990 nan 8.250 nan 0.000 0.430 81 H N 0.509 119.613 119.070 0.056 0.000 2.852 81 H HA 0.086 4.642 4.556 0.000 0.000 0.362 81 H C -0.080 175.251 175.328 0.004 0.000 1.122 81 H CA -0.096 55.965 56.048 0.021 0.000 1.419 81 H CB 0.629 30.393 29.762 0.003 0.000 1.401 81 H HN 0.574 nan 8.280 nan 0.000 0.609 82 R N 2.051 122.683 120.500 0.219 0.000 2.767 82 R HA 0.325 4.665 4.340 0.000 0.000 0.377 82 R C -0.413 175.981 176.300 0.157 0.000 1.151 82 R CA -0.506 55.674 56.100 0.133 0.000 1.046 82 R CB 0.085 30.409 30.300 0.041 0.000 1.404 82 R HN 0.400 nan 8.270 nan 0.000 0.580 83 S N 0.660 116.536 115.700 0.293 0.000 2.651 83 S HA 0.348 4.818 4.470 0.000 0.000 0.291 83 S C 0.598 175.224 174.600 0.044 0.000 1.141 83 S CA -0.274 57.942 58.200 0.027 0.000 1.027 83 S CB 1.473 64.562 63.200 -0.186 0.000 1.043 83 S HN 0.448 nan 8.310 nan 0.000 0.530 84 T N -0.169 114.355 114.554 -0.051 0.000 3.399 84 T HA 0.345 4.695 4.350 0.000 0.000 0.305 84 T C -0.357 174.257 174.700 -0.144 0.000 0.983 84 T CA -0.564 61.508 62.100 -0.047 0.000 0.967 84 T CB -0.989 67.858 68.868 -0.035 0.000 1.186 84 T HN 0.558 nan 8.240 nan 0.000 0.504 85 N N 1.856 120.411 118.700 -0.242 0.000 2.472 85 N HA 0.431 5.171 4.740 0.000 0.000 0.277 85 N C -0.903 174.389 175.510 -0.362 0.000 1.081 85 N CA -0.908 51.832 53.050 -0.517 0.000 0.973 85 N CB 0.260 38.349 38.487 -0.665 0.000 1.105 85 N HN 0.141 nan 8.380 nan 0.000 0.470 86 F N 1.080 121.013 119.950 -0.028 0.000 2.943 86 F HA -0.301 4.226 4.527 0.000 0.000 0.258 86 F C 0.440 176.238 175.800 -0.002 0.000 0.995 86 F CA -0.003 57.987 58.000 -0.017 0.000 0.896 86 F CB -2.747 36.237 39.000 -0.027 0.000 0.821 86 F HN 0.760 nan 8.300 nan 0.000 0.828 87 N N -2.515 116.254 118.700 0.115 0.000 2.708 87 N HA -0.278 4.462 4.740 0.000 0.000 0.251 87 N C 1.029 176.610 175.510 0.118 0.000 1.123 87 N CA 0.398 53.510 53.050 0.104 0.000 0.739 87 N CB -0.803 37.752 38.487 0.113 0.000 1.113 87 N HN 0.421 nan 8.380 nan 0.000 0.561 88 L N 0.525 121.796 121.223 0.080 0.000 2.275 88 L HA 0.032 4.372 4.340 0.000 0.000 0.215 88 L C 2.281 179.272 176.870 0.201 0.000 1.119 88 L CA 1.917 56.785 54.840 0.046 0.000 0.790 88 L CB -0.493 41.458 42.059 -0.180 0.000 0.919 88 L HN 0.366 nan 8.230 nan 0.000 0.443 89 G N -1.856 107.057 108.800 0.188 0.000 2.776 89 G HA2 -0.184 3.776 3.960 0.000 0.000 0.209 89 G HA3 -0.184 3.776 3.960 0.000 0.000 0.209 89 G C 1.389 176.389 174.900 0.167 0.000 1.145 89 G CA 0.408 45.641 45.100 0.223 0.000 0.791 89 G HN 0.370 nan 8.290 nan 0.000 0.530 90 E N 0.696 120.999 120.200 0.171 0.000 2.028 90 E HA -0.012 4.338 4.350 0.000 0.000 0.191 90 E C 1.284 177.968 176.600 0.140 0.000 0.988 90 E CA 0.941 57.420 56.400 0.132 0.000 0.799 90 E CB 0.042 29.817 29.700 0.127 0.000 0.755 90 E HN 0.583 nan 8.360 nan 0.000 0.447 91 K N -0.523 120.010 120.400 0.220 0.000 2.292 91 K HA 0.542 4.862 4.320 0.000 0.000 0.257 91 K C -0.804 175.984 176.600 0.313 0.000 0.940 91 K CA -0.690 55.710 56.287 0.188 0.000 0.811 91 K CB 2.025 34.589 32.500 0.107 0.000 1.120 91 K HN -0.187 nan 8.250 nan 0.000 0.428 92 R N 2.644 123.220 120.500 0.126 0.000 2.644 92 R HA 0.231 4.571 4.340 0.000 0.000 0.271 92 R C -2.574 173.740 176.300 0.023 0.000 1.687 92 R CA -1.616 54.491 56.100 0.011 0.000 1.655 92 R CB 1.142 31.293 30.300 -0.248 0.000 1.285 92 R HN 0.617 nan 8.270 nan 0.000 0.643 93 P HA 0.017 nan 4.420 nan 0.000 0.271 93 P C -0.022 177.297 177.300 0.032 0.000 1.216 93 P CA -0.052 63.062 63.100 0.023 0.000 0.771 93 P CB 1.017 32.703 31.700 -0.024 0.000 0.864 94 L N 1.986 123.207 121.223 -0.004 0.000 2.490 94 L HA 0.201 4.541 4.340 0.000 0.000 0.274 94 L C 1.872 178.745 176.870 0.004 0.000 1.201 94 L CA 0.938 55.773 54.840 -0.009 0.000 0.869 94 L CB -0.662 41.377 42.059 -0.034 0.000 1.123 94 L HN 0.841 nan 8.230 nan 0.000 0.484 95 G N 1.340 110.145 108.800 0.008 0.000 2.225 95 G HA2 -0.340 3.620 3.960 0.000 0.000 0.254 95 G HA3 -0.340 3.620 3.960 0.000 0.000 0.254 95 G C 0.520 175.433 174.900 0.023 0.000 0.988 95 G CA 0.346 45.448 45.100 0.003 0.000 0.625 95 G HN 0.847 nan 8.290 nan 0.000 0.527 96 D N -1.161 119.293 120.400 0.091 0.000 2.882 96 D HA 0.082 4.722 4.640 0.000 0.000 0.229 96 D C 1.726 178.174 176.300 0.247 0.000 1.167 96 D CA 3.208 57.330 54.000 0.203 0.000 0.759 96 D CB -1.296 39.623 40.800 0.198 0.000 1.088 96 D HN 2.245 nan 8.370 nan 0.000 0.425 97 G N -2.054 106.831 108.800 0.141 0.000 2.142 97 G HA2 0.019 3.979 3.960 0.000 0.000 0.225 97 G HA3 0.019 3.979 3.960 0.000 0.000 0.225 97 G C 0.064 174.922 174.900 -0.070 0.000 1.015 97 G CA 0.359 45.547 45.100 0.148 0.000 0.716 97 G HN 1.368 nan 8.290 nan 0.000 0.508 98 V N -0.813 118.975 119.914 -0.210 0.000 2.851 98 V HA 0.525 4.645 4.120 0.000 0.000 0.290 98 V C -0.652 175.349 176.094 -0.154 0.000 1.330 98 V CA -0.428 61.680 62.300 -0.320 0.000 0.944 98 V CB 2.086 33.355 31.823 -0.923 0.000 1.090 98 V HN 0.744 nan 8.190 nan 0.000 0.436 99 V N 6.158 126.037 119.914 -0.059 0.000 2.439 99 V HA 0.800 4.920 4.120 0.000 0.000 0.282 99 V C 0.435 176.586 176.094 0.095 0.000 1.039 99 V CA 0.330 62.638 62.300 0.013 0.000 0.913 99 V CB 1.731 33.534 31.823 -0.034 0.000 0.983 99 V HN 1.080 nan 8.190 nan 0.000 0.460 100 T N 1.238 115.896 114.554 0.173 0.000 2.906 100 T HA 0.965 5.315 4.350 0.000 0.000 0.295 100 T C -0.143 174.749 174.700 0.321 0.000 1.061 100 T CA -0.121 62.121 62.100 0.236 0.000 1.000 100 T CB 2.244 71.194 68.868 0.136 0.000 1.103 100 T HN 1.355 nan 8.240 nan 0.000 0.486 101 G N 0.433 109.451 108.800 0.362 0.000 2.333 101 G HA2 0.488 4.448 3.960 0.000 0.000 0.288 101 G HA3 0.488 4.448 3.960 0.000 0.000 0.288 101 G C -2.100 173.027 174.900 0.380 0.000 1.286 101 G CA -0.442 44.797 45.100 0.231 0.000 0.865 101 G HN 1.316 nan 8.290 nan 0.000 0.506 102 Y N -1.637 118.749 120.300 0.144 0.000 2.605 102 Y HA 0.941 5.491 4.550 0.000 0.000 0.343 102 Y C 0.475 176.494 175.900 0.199 0.000 1.036 102 Y CA -0.711 57.484 58.100 0.157 0.000 1.065 102 Y CB 1.521 40.019 38.460 0.064 0.000 1.288 102 Y HN 1.554 nan 8.280 nan 0.000 0.481 103 G N -0.243 108.751 108.800 0.323 0.000 2.588 103 G HA2 0.571 4.531 3.960 0.000 0.000 0.281 103 G HA3 0.571 4.531 3.960 0.000 0.000 0.281 103 G C -1.438 173.560 174.900 0.163 0.000 1.223 103 G CA -0.415 44.819 45.100 0.223 0.000 0.871 103 G HN 1.243 nan 8.290 nan 0.000 0.492 104 T N -2.005 112.612 114.554 0.105 0.000 2.956 104 T HA 0.688 5.038 4.350 0.000 0.000 0.312 104 T C -1.130 173.588 174.700 0.031 0.000 1.151 104 T CA -0.508 61.630 62.100 0.064 0.000 1.024 104 T CB 1.816 70.719 68.868 0.058 0.000 1.140 104 T HN 0.581 nan 8.240 nan 0.000 0.473 105 I N 2.586 123.162 120.570 0.010 0.000 2.537 105 I HA 0.315 4.485 4.170 0.000 0.000 0.276 105 I C -0.501 175.605 176.117 -0.019 0.000 1.063 105 I CA -0.347 60.947 61.300 -0.011 0.000 1.144 105 I CB 0.786 38.771 38.000 -0.025 0.000 1.252 105 I HN 0.812 nan 8.210 nan 0.000 0.480 106 D N 4.466 124.859 120.400 -0.011 0.000 3.110 106 D HA -0.141 4.499 4.640 0.000 0.000 0.214 106 D C 0.969 177.266 176.300 -0.004 0.000 1.112 106 D CA 1.498 55.492 54.000 -0.011 0.000 0.927 106 D CB -1.094 39.691 40.800 -0.026 0.000 1.095 106 D HN 1.006 nan 8.370 nan 0.000 0.429 107 G N -0.244 108.557 108.800 0.003 0.000 2.176 107 G HA2 -0.320 3.640 3.960 0.000 0.000 0.232 107 G HA3 -0.320 3.640 3.960 0.000 0.000 0.232 107 G C 0.220 175.125 174.900 0.008 0.000 0.986 107 G CA 0.259 45.364 45.100 0.008 0.000 0.643 107 G HN 0.457 nan 8.290 nan 0.000 0.522 108 R N 0.541 121.042 120.500 0.003 0.000 2.514 108 R HA 0.514 4.854 4.340 0.000 0.000 0.301 108 R C -1.133 175.177 176.300 0.017 0.000 0.962 108 R CA -0.958 55.143 56.100 0.001 0.000 0.882 108 R CB 1.022 31.310 30.300 -0.020 0.000 1.143 108 R HN 0.106 nan 8.270 nan 0.000 0.452 109 D N 1.747 122.161 120.400 0.024 0.000 2.424 109 D HA 0.215 4.855 4.640 0.000 0.000 0.244 109 D C -0.344 175.983 176.300 0.045 0.000 1.134 109 D CA 0.341 54.370 54.000 0.048 0.000 0.881 109 D CB 1.044 41.863 40.800 0.031 0.000 1.191 109 D HN 0.249 nan 8.370 nan 0.000 0.445 110 V N -0.686 119.277 119.914 0.082 0.000 3.087 110 V HA 0.607 4.727 4.120 0.000 0.000 0.306 110 V C -0.751 175.425 176.094 0.136 0.000 1.187 110 V CA -0.978 61.367 62.300 0.075 0.000 0.999 110 V CB 1.657 33.507 31.823 0.044 0.000 1.049 110 V HN 0.578 nan 8.190 nan 0.000 0.431 111 C N 3.587 122.960 119.300 0.122 0.000 2.382 111 C HA 0.891 5.351 4.460 0.000 0.000 0.327 111 C C -0.111 174.968 174.990 0.148 0.000 1.250 111 C CA -0.328 58.795 59.018 0.176 0.000 1.707 111 C CB 0.379 28.210 27.740 0.151 0.000 2.272 111 C HN 1.006 nan 8.230 nan 0.000 0.506 112 I N 2.691 123.370 120.570 0.182 0.000 3.006 112 I HA 0.783 4.953 4.170 0.000 0.000 0.306 112 I C -1.685 174.532 176.117 0.167 0.000 1.250 112 I CA -0.824 60.523 61.300 0.078 0.000 0.996 112 I CB 1.942 39.917 38.000 -0.042 0.000 1.261 112 I HN 0.791 nan 8.210 nan 0.000 0.442 113 F N 3.160 123.120 119.950 0.017 0.000 2.596 113 F HA 0.728 5.255 4.527 0.000 0.000 0.311 113 F C -1.361 174.417 175.800 -0.037 0.000 1.116 113 F CA -0.726 57.269 58.000 -0.009 0.000 0.957 113 F CB 1.642 40.647 39.000 0.009 0.000 1.250 113 F HN 0.249 nan 8.300 nan 0.000 0.444 114 S N 2.622 118.371 115.700 0.083 0.000 2.605 114 S HA 0.274 4.744 4.470 0.000 0.000 0.308 114 S C -1.114 173.542 174.600 0.093 0.000 1.113 114 S CA -0.549 57.655 58.200 0.006 0.000 1.049 114 S CB 1.261 64.386 63.200 -0.124 0.000 1.001 114 S HN 0.912 nan 8.310 nan 0.000 0.480 115 Q N 3.166 123.070 119.800 0.175 0.000 2.297 115 Q HA 0.120 4.460 4.340 0.000 0.000 0.267 115 Q C -0.913 175.160 176.000 0.121 0.000 1.006 115 Q CA -0.079 55.836 55.803 0.187 0.000 0.896 115 Q CB 0.589 29.517 28.738 0.317 0.000 1.186 115 Q HN 0.575 nan 8.270 nan 0.000 0.392 116 D N 3.363 123.824 120.400 0.101 0.000 2.412 116 D HA 0.225 4.865 4.640 0.000 0.000 0.224 116 D C -0.096 176.269 176.300 0.109 0.000 1.093 116 D CA -0.114 53.931 54.000 0.076 0.000 0.850 116 D CB 1.359 42.183 40.800 0.040 0.000 1.046 116 D HN 0.686 nan 8.370 nan 0.000 0.507 117 A N 2.862 125.736 122.820 0.090 0.000 2.235 117 A HA -0.057 4.263 4.320 0.000 0.000 0.208 117 A C 1.815 179.433 177.584 0.057 0.000 1.172 117 A CA 1.148 53.237 52.037 0.087 0.000 0.786 117 A CB -0.346 18.700 19.000 0.078 0.000 0.804 117 A HN 0.617 nan 8.150 nan 0.000 0.479 118 T N -3.361 111.212 114.554 0.032 0.000 3.067 118 T HA 0.172 4.522 4.350 0.000 0.000 0.257 118 T C 0.368 175.048 174.700 -0.034 0.000 1.105 118 T CA 0.470 62.569 62.100 -0.002 0.000 1.104 118 T CB -0.294 68.563 68.868 -0.018 0.000 0.925 118 T HN -0.006 nan 8.240 nan 0.000 0.498 119 V N 2.942 122.851 119.914 -0.008 0.000 2.334 119 V HA 0.389 4.509 4.120 0.000 0.000 0.267 119 V C -0.146 175.972 176.094 0.039 0.000 1.040 119 V CA -0.877 61.376 62.300 -0.078 0.000 0.866 119 V CB -0.860 30.974 31.823 0.019 0.000 1.019 119 V HN 0.487 nan 8.190 nan 0.000 0.468 120 F N 3.469 123.454 119.950 0.058 0.000 3.093 120 F HA -0.236 4.291 4.527 0.000 0.000 0.287 120 F C 1.693 177.509 175.800 0.028 0.000 0.882 120 F CA 1.267 59.290 58.000 0.039 0.000 1.063 120 F CB -1.761 37.258 39.000 0.033 0.000 1.097 120 F HN 0.878 nan 8.300 nan 0.000 0.604 121 G N -1.303 107.583 108.800 0.144 0.000 2.168 121 G HA2 0.109 4.069 3.960 0.000 0.000 0.263 121 G HA3 0.109 4.069 3.960 0.000 0.000 0.263 121 G C 1.757 176.723 174.900 0.111 0.000 0.977 121 G CA 1.126 46.290 45.100 0.107 0.000 0.659 121 G HN 2.166 nan 8.290 nan 0.000 0.533 122 G N -1.448 107.447 108.800 0.158 0.000 2.159 122 G HA2 0.063 4.023 3.960 0.000 0.000 0.256 122 G HA3 0.063 4.023 3.960 0.000 0.000 0.256 122 G C 0.868 175.841 174.900 0.122 0.000 0.977 122 G CA 1.355 46.575 45.100 0.199 0.000 0.652 122 G HN 2.428 nan 8.290 nan 0.000 0.531 123 S N -0.566 115.154 115.700 0.033 0.000 2.573 123 S HA 0.469 4.939 4.470 0.000 0.000 0.277 123 S C 0.460 174.785 174.600 -0.458 0.000 1.346 123 S CA -0.009 58.098 58.200 -0.156 0.000 1.034 123 S CB 1.892 65.043 63.200 -0.081 0.000 0.879 123 S HN 1.348 nan 8.310 nan 0.000 0.528 124 L N 2.912 123.728 121.223 -0.678 0.000 2.281 124 L HA 0.647 4.987 4.340 0.000 0.000 0.285 124 L C 0.588 177.073 176.870 -0.642 0.000 1.074 124 L CA -0.115 54.046 54.840 -1.131 0.000 0.817 124 L CB 0.037 41.411 42.059 -1.142 0.000 1.168 124 L HN 0.945 nan 8.230 nan 0.000 0.434 125 G N 2.654 111.180 108.800 -0.457 0.000 2.753 125 G HA2 0.178 4.138 3.960 0.000 0.000 0.285 125 G HA3 0.178 4.138 3.960 0.000 0.000 0.285 125 G C 0.179 174.970 174.900 -0.181 0.000 1.344 125 G CA -0.147 44.799 45.100 -0.258 0.000 1.050 125 G HN 0.752 nan 8.290 nan 0.000 0.532 126 E N -1.377 118.750 120.200 -0.121 0.000 2.015 126 E HA -0.137 4.213 4.350 0.000 0.000 0.191 126 E C 2.542 179.129 176.600 -0.022 0.000 0.991 126 E CA 1.262 57.612 56.400 -0.085 0.000 0.802 126 E CB -0.149 29.511 29.700 -0.066 0.000 0.759 126 E HN 0.156 nan 8.360 nan 0.000 0.447 127 V N 0.896 120.828 119.914 0.030 0.000 2.407 127 V HA -0.252 3.868 4.120 0.000 0.000 0.248 127 V C 2.187 178.332 176.094 0.084 0.000 1.055 127 V CA 1.957 64.288 62.300 0.052 0.000 1.049 127 V CB -0.767 31.100 31.823 0.074 0.000 0.662 127 V HN 0.424 nan 8.190 nan 0.000 0.455 128 Y N 2.110 122.378 120.300 -0.052 0.000 2.114 128 Y HA -0.129 4.421 4.550 0.000 0.000 0.284 128 Y C 2.380 178.203 175.900 -0.129 0.000 1.143 128 Y CA 1.587 59.647 58.100 -0.067 0.000 1.135 128 Y CB -1.081 37.339 38.460 -0.066 0.000 0.980 128 Y HN 0.184 nan 8.280 nan 0.000 0.499 129 G N -0.261 108.646 108.800 0.177 0.000 2.442 129 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 129 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 129 G C 1.541 176.417 174.900 -0.040 0.000 1.141 129 G CA 0.968 46.061 45.100 -0.010 0.000 0.763 129 G HN 0.534 nan 8.290 nan 0.000 0.554 130 E N 0.380 120.564 120.200 -0.027 0.000 2.051 130 E HA -0.122 4.228 4.350 0.000 0.000 0.192 130 E C 2.548 179.127 176.600 -0.035 0.000 0.991 130 E CA 1.029 57.409 56.400 -0.033 0.000 0.799 130 E CB -0.098 29.590 29.700 -0.021 0.000 0.748 130 E HN 0.386 nan 8.360 nan 0.000 0.449 131 K N 0.407 120.785 120.400 -0.036 0.000 2.063 131 K HA -0.147 4.173 4.320 0.000 0.000 0.208 131 K C 2.111 178.665 176.600 -0.076 0.000 1.048 131 K CA 0.965 57.221 56.287 -0.050 0.000 0.928 131 K CB -0.048 32.407 32.500 -0.076 0.000 0.713 131 K HN 0.106 nan 8.250 nan 0.000 0.442 132 I N 0.840 121.327 120.570 -0.138 0.000 2.226 132 I HA -0.214 3.956 4.170 0.000 0.000 0.245 132 I C 2.306 178.343 176.117 -0.133 0.000 1.100 132 I CA 1.269 62.422 61.300 -0.246 0.000 1.374 132 I CB -0.922 36.882 38.000 -0.327 0.000 1.057 132 I HN -0.058 nan 8.210 nan 0.000 0.413 133 V N 1.169 121.031 119.914 -0.086 0.000 2.295 133 V HA -0.285 3.835 4.120 0.000 0.000 0.246 133 V C 2.623 178.708 176.094 -0.016 0.000 1.049 133 V CA 2.029 64.302 62.300 -0.046 0.000 1.024 133 V CB -0.774 31.023 31.823 -0.044 0.000 0.648 133 V HN 0.383 nan 8.190 nan 0.000 0.447 134 K N 0.096 120.489 120.400 -0.012 0.000 2.063 134 K HA -0.177 4.143 4.320 0.000 0.000 0.208 134 K C 1.946 178.567 176.600 0.034 0.000 1.048 134 K CA 1.807 58.099 56.287 0.009 0.000 0.928 134 K CB -0.298 32.209 32.500 0.012 0.000 0.713 134 K HN 0.295 nan 8.250 nan 0.000 0.442 135 V N 1.352 121.295 119.914 0.049 0.000 2.427 135 V HA -0.228 3.892 4.120 0.000 0.000 0.248 135 V C 2.326 178.480 176.094 0.100 0.000 1.051 135 V CA 1.796 64.157 62.300 0.103 0.000 1.048 135 V CB -0.476 31.446 31.823 0.165 0.000 0.666 135 V HN 0.430 nan 8.190 nan 0.000 0.456 136 Q N -0.135 119.710 119.800 0.075 0.000 2.050 136 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 136 Q C 2.254 178.290 176.000 0.059 0.000 0.980 136 Q CA 1.867 57.719 55.803 0.081 0.000 0.840 136 Q CB -0.213 28.561 28.738 0.060 0.000 0.898 136 Q HN 0.697 nan 8.270 nan 0.000 0.424 137 E N 0.405 120.627 120.200 0.037 0.000 2.204 137 E HA -0.183 4.167 4.350 0.000 0.000 0.195 137 E C 1.893 178.504 176.600 0.019 0.000 0.990 137 E CA 0.520 56.935 56.400 0.025 0.000 0.821 137 E CB -0.026 29.682 29.700 0.013 0.000 0.750 137 E HN 0.163 nan 8.360 nan 0.000 0.477 138 L N 0.970 122.207 121.223 0.023 0.000 2.044 138 L HA -0.039 4.301 4.340 0.000 0.000 0.205 138 L C 2.243 179.115 176.870 0.003 0.000 1.075 138 L CA 1.899 56.740 54.840 0.001 0.000 0.747 138 L CB -0.682 41.382 42.059 0.008 0.000 0.903 138 L HN 0.013 nan 8.230 nan 0.000 0.435 139 A N -0.095 122.747 122.820 0.037 0.000 1.908 139 A HA -0.193 4.128 4.320 0.000 0.000 0.218 139 A C 2.231 179.837 177.584 0.036 0.000 1.181 139 A CA 2.242 54.305 52.037 0.044 0.000 0.627 139 A CB -0.923 18.125 19.000 0.080 0.000 0.818 139 A HN 0.551 nan 8.150 nan 0.000 0.445 140 I N -0.952 119.642 120.570 0.040 0.000 2.353 140 I HA -0.183 3.987 4.170 0.000 0.000 0.248 140 I C 2.476 178.604 176.117 0.020 0.000 1.119 140 I CA 1.499 62.821 61.300 0.037 0.000 1.417 140 I CB -0.346 37.678 38.000 0.039 0.000 1.078 140 I HN 0.345 nan 8.210 nan 0.000 0.421 141 K N 1.262 121.666 120.400 0.008 0.000 2.026 141 K HA -0.188 4.132 4.320 0.000 0.000 0.208 141 K C 2.138 178.730 176.600 -0.013 0.000 1.048 141 K CA 2.228 58.512 56.287 -0.005 0.000 0.929 141 K CB -0.092 32.399 32.500 -0.016 0.000 0.713 141 K HN 0.424 nan 8.250 nan 0.000 0.439 142 T N -3.040 111.500 114.554 -0.023 0.000 3.067 142 T HA 0.122 4.472 4.350 0.000 0.000 0.261 142 T C 1.153 175.846 174.700 -0.011 0.000 1.110 142 T CA 0.559 62.640 62.100 -0.032 0.000 1.113 142 T CB -0.003 68.828 68.868 -0.060 0.000 0.917 142 T HN 0.389 nan 8.240 nan 0.000 0.499 143 G N 2.441 111.245 108.800 0.006 0.000 2.256 143 G HA2 -0.185 3.775 3.960 0.000 0.000 0.272 143 G HA3 -0.185 3.775 3.960 0.000 0.000 0.272 143 G C -0.210 174.702 174.900 0.019 0.000 1.076 143 G CA -0.400 44.712 45.100 0.022 0.000 0.882 143 G HN 0.650 nan 8.290 nan 0.000 0.497 144 R N -0.946 119.564 120.500 0.018 0.000 2.854 144 R HA 0.654 4.994 4.340 0.000 0.000 0.271 144 R C -2.689 173.624 176.300 0.022 0.000 0.996 144 R CA -2.732 53.375 56.100 0.012 0.000 0.961 144 R CB 0.179 30.486 30.300 0.010 0.000 1.182 144 R HN 0.062 nan 8.270 nan 0.000 0.479 145 P HA 0.083 nan 4.420 nan 0.000 0.270 145 P C -0.665 176.658 177.300 0.039 0.000 1.223 145 P CA -0.354 62.747 63.100 0.001 0.000 0.785 145 P CB 0.462 32.140 31.700 -0.036 0.000 0.923 146 L N 3.091 124.347 121.223 0.054 0.000 2.342 146 L HA 0.474 4.814 4.340 0.000 0.000 0.276 146 L C -1.147 175.755 176.870 0.054 0.000 0.997 146 L CA -0.213 54.680 54.840 0.088 0.000 0.838 146 L CB 0.360 42.504 42.059 0.140 0.000 1.224 146 L HN 0.213 nan 8.230 nan 0.000 0.416 147 I N 4.326 124.894 120.570 -0.003 0.000 2.359 147 I HA 0.612 4.782 4.170 0.000 0.000 0.294 147 I C 0.569 176.470 176.117 -0.359 0.000 0.987 147 I CA -0.463 60.777 61.300 -0.099 0.000 1.225 147 I CB 1.760 39.707 38.000 -0.087 0.000 1.366 147 I HN 0.776 nan 8.210 nan 0.000 0.466 148 G N 7.202 115.722 108.800 -0.465 0.000 2.675 148 G HA2 0.613 4.573 3.960 0.000 0.000 0.297 148 G HA3 0.613 4.573 3.960 0.000 0.000 0.297 148 G C -0.650 173.915 174.900 -0.558 0.000 1.399 148 G CA -0.404 44.000 45.100 -1.160 0.000 0.981 148 G HN 0.503 nan 8.290 nan 0.000 0.519 149 I N 2.475 122.739 120.570 -0.510 0.000 2.291 149 I HA 0.128 4.298 4.170 0.000 0.000 0.292 149 I C -0.364 175.768 176.117 0.025 0.000 1.064 149 I CA -0.624 60.600 61.300 -0.125 0.000 1.269 149 I CB 0.704 38.665 38.000 -0.065 0.000 1.418 149 I HN 0.297 nan 8.210 nan 0.000 0.485 150 N N 5.156 123.912 118.700 0.094 0.000 2.456 150 N HA 0.432 5.172 4.740 0.000 0.000 0.288 150 N C -0.886 174.712 175.510 0.148 0.000 1.059 150 N CA -0.338 52.824 53.050 0.187 0.000 0.946 150 N CB 1.016 39.616 38.487 0.188 0.000 1.150 150 N HN 0.458 nan 8.380 nan 0.000 0.479 151 D N 1.188 121.696 120.400 0.180 0.000 2.251 151 D HA 0.484 5.124 4.640 0.000 0.000 0.210 151 D C -0.709 175.681 176.300 0.150 0.000 1.304 151 D CA -0.085 53.995 54.000 0.134 0.000 0.912 151 D CB 0.018 40.881 40.800 0.105 0.000 1.553 151 D HN 0.703 nan 8.370 nan 0.000 0.526 152 G N 0.853 109.738 108.800 0.140 0.000 2.359 152 G HA2 0.592 4.552 3.960 0.000 0.000 0.314 152 G HA3 0.592 4.552 3.960 0.000 0.000 0.314 152 G C -0.624 174.333 174.900 0.095 0.000 1.364 152 G CA -0.069 45.102 45.100 0.117 0.000 0.978 152 G HN 0.733 nan 8.290 nan 0.000 0.615 153 A N -1.050 121.790 122.820 0.033 0.000 2.260 153 A HA 0.968 5.288 4.320 0.000 0.000 0.278 153 A C 0.961 178.379 177.584 -0.276 0.000 1.269 153 A CA 0.702 52.722 52.037 -0.028 0.000 0.824 153 A CB 0.561 19.562 19.000 0.001 0.000 1.238 153 A HN 2.454 nan 8.150 nan 0.000 0.507 154 G N -3.516 105.093 108.800 -0.318 0.000 2.690 154 G HA2 0.688 4.648 3.960 0.000 0.000 0.293 154 G HA3 0.688 4.648 3.960 0.000 0.000 0.293 154 G C -0.263 174.603 174.900 -0.055 0.000 1.399 154 G CA 0.180 45.027 45.100 -0.422 0.000 0.890 154 G HN 2.359 nan 8.290 nan 0.000 0.485 155 A N -0.083 122.799 122.820 0.103 0.000 1.641 155 A HA -0.112 4.208 4.320 0.000 0.000 0.211 155 A C 0.447 177.995 177.584 -0.061 0.000 1.300 155 A CA 0.825 52.916 52.037 0.090 0.000 0.653 155 A CB -0.966 18.159 19.000 0.209 0.000 1.164 155 A HN 1.315 nan 8.150 nan 0.000 0.206 156 R N 2.577 122.982 120.500 -0.159 0.000 2.351 156 R HA 0.351 4.691 4.340 0.000 0.000 0.321 156 R C 1.150 177.381 176.300 -0.115 0.000 1.182 156 R CA -0.187 55.811 56.100 -0.170 0.000 1.011 156 R CB -0.301 29.829 30.300 -0.283 0.000 1.048 156 R HN 0.676 nan 8.270 nan 0.000 0.490 157 I N 3.126 123.661 120.570 -0.058 0.000 2.181 157 I HA -0.373 3.797 4.170 0.000 0.000 0.247 157 I C 2.010 178.145 176.117 0.029 0.000 1.081 157 I CA 1.447 62.737 61.300 -0.016 0.000 1.340 157 I CB -0.462 37.526 38.000 -0.020 0.000 1.036 157 I HN 0.581 nan 8.210 nan 0.000 0.417 158 Q N 0.525 120.338 119.800 0.022 0.000 2.181 158 Q HA -0.190 4.150 4.340 0.000 0.000 0.205 158 Q C 2.074 178.102 176.000 0.047 0.000 0.980 158 Q CA 1.493 57.399 55.803 0.172 0.000 0.862 158 Q CB -0.417 28.359 28.738 0.063 0.000 0.905 158 Q HN 0.608 nan 8.270 nan 0.000 0.429 159 E N -0.752 119.396 120.200 -0.087 0.000 2.442 159 E HA 0.157 4.507 4.350 0.000 0.000 0.195 159 E C 0.831 177.386 176.600 -0.076 0.000 1.030 159 E CA 0.285 56.608 56.400 -0.129 0.000 0.869 159 E CB 0.169 29.754 29.700 -0.191 0.000 0.857 159 E HN 0.356 nan 8.360 nan 0.000 0.505 160 G N 0.762 109.548 108.800 -0.023 0.000 2.562 160 G HA2 -0.353 3.607 3.960 0.000 0.000 0.250 160 G HA3 -0.353 3.607 3.960 0.000 0.000 0.250 160 G C 0.908 175.798 174.900 -0.017 0.000 1.269 160 G CA -0.103 44.997 45.100 -0.001 0.000 0.919 160 G HN 0.061 nan 8.290 nan 0.000 0.574 161 V N 0.691 120.602 119.914 -0.005 0.000 2.527 161 V HA -0.257 3.863 4.120 0.000 0.000 0.255 161 V C 3.116 179.196 176.094 -0.024 0.000 1.081 161 V CA 2.594 64.893 62.300 -0.002 0.000 1.092 161 V CB -1.108 30.717 31.823 0.003 0.000 0.673 161 V HN 0.867 nan 8.190 nan 0.000 0.470 162 V N 1.433 121.318 119.914 -0.050 0.000 2.317 162 V HA -0.319 3.801 4.120 0.000 0.000 0.251 162 V C 2.665 178.692 176.094 -0.112 0.000 1.065 162 V CA 2.471 64.726 62.300 -0.074 0.000 1.049 162 V CB -1.341 30.430 31.823 -0.088 0.000 0.651 162 V HN 0.785 nan 8.190 nan 0.000 0.450 163 S N 0.583 116.202 115.700 -0.136 0.000 2.368 163 S HA -0.143 4.327 4.470 0.000 0.000 0.225 163 S C 1.939 176.431 174.600 -0.181 0.000 1.030 163 S CA 1.575 59.632 58.200 -0.238 0.000 0.999 163 S CB -0.743 62.323 63.200 -0.223 0.000 0.844 163 S HN 0.536 nan 8.310 nan 0.000 0.459 164 L N 1.397 122.619 121.223 -0.001 0.000 2.275 164 L HA 0.021 4.361 4.340 0.000 0.000 0.215 164 L C 2.841 179.746 176.870 0.059 0.000 1.119 164 L CA 0.990 55.902 54.840 0.120 0.000 0.790 164 L CB -1.173 40.957 42.059 0.118 0.000 0.919 164 L HN 0.540 nan 8.230 nan 0.000 0.443 165 G N 0.081 108.871 108.800 -0.016 0.000 2.394 165 G HA2 -0.162 3.798 3.960 0.000 0.000 0.214 165 G HA3 -0.162 3.798 3.960 0.000 0.000 0.214 165 G C 1.624 176.486 174.900 -0.064 0.000 1.176 165 G CA 0.192 45.278 45.100 -0.023 0.000 0.786 165 G HN 0.199 nan 8.290 nan 0.000 0.533 166 L N -0.860 120.276 121.223 -0.145 0.000 2.141 166 L HA -0.008 4.332 4.340 0.000 0.000 0.209 166 L C 2.638 179.349 176.870 -0.266 0.000 1.094 166 L CA 0.572 55.287 54.840 -0.209 0.000 0.763 166 L CB -0.263 41.627 42.059 -0.281 0.000 0.908 166 L HN 0.143 nan 8.230 nan 0.000 0.437 167 Y N -0.153 119.992 120.300 -0.259 0.000 2.145 167 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 167 Y C 2.944 178.420 175.900 -0.706 0.000 1.145 167 Y CA 1.274 59.048 58.100 -0.543 0.000 1.148 167 Y CB -0.749 37.469 38.460 -0.404 0.000 0.981 167 Y HN 0.099 nan 8.280 nan 0.000 0.507 168 S N -0.357 115.306 115.700 -0.062 0.000 2.359 168 S HA -0.255 4.215 4.470 0.000 0.000 0.224 168 S C 2.107 176.725 174.600 0.030 0.000 1.035 168 S CA 1.562 59.827 58.200 0.108 0.000 1.018 168 S CB -0.333 62.947 63.200 0.134 0.000 0.876 168 S HN 0.346 nan 8.310 nan 0.000 0.448 169 R N 0.445 120.923 120.500 -0.037 0.000 2.127 169 R HA 0.021 4.361 4.340 0.000 0.000 0.238 169 R C 2.072 178.348 176.300 -0.039 0.000 1.134 169 R CA 1.198 57.280 56.100 -0.029 0.000 0.975 169 R CB -0.284 29.985 30.300 -0.051 0.000 0.865 169 R HN 0.428 nan 8.270 nan 0.000 0.447 170 I N -0.581 119.915 120.570 -0.124 0.000 2.277 170 I HA -0.211 3.959 4.170 0.000 0.000 0.243 170 I C 1.466 177.603 176.117 0.034 0.000 1.094 170 I CA 0.800 62.044 61.300 -0.093 0.000 1.393 170 I CB -0.244 37.656 38.000 -0.165 0.000 1.078 170 I HN 0.063 nan 8.210 nan 0.000 0.417 171 F N 1.104 121.118 119.950 0.107 0.000 2.126 171 F HA -0.205 4.322 4.527 0.000 0.000 0.299 171 F C 2.678 178.506 175.800 0.047 0.000 1.096 171 F CA 1.280 59.327 58.000 0.079 0.000 1.255 171 F CB -1.095 37.944 39.000 0.064 0.000 0.997 171 F HN -0.034 nan 8.300 nan 0.000 0.479 172 R N 0.524 121.156 120.500 0.220 0.000 2.083 172 R HA -0.166 4.174 4.340 0.000 0.000 0.237 172 R C 2.053 178.409 176.300 0.094 0.000 1.137 172 R CA 1.603 57.778 56.100 0.125 0.000 0.951 172 R CB -0.368 29.983 30.300 0.085 0.000 0.851 172 R HN 0.254 nan 8.270 nan 0.000 0.434 173 N N 0.894 119.643 118.700 0.083 0.000 2.272 173 N HA -0.160 4.580 4.740 0.000 0.000 0.185 173 N C 1.311 176.875 175.510 0.089 0.000 1.014 173 N CA 0.944 54.037 53.050 0.070 0.000 0.870 173 N CB -0.438 38.082 38.487 0.056 0.000 0.975 173 N HN 0.296 nan 8.380 nan 0.000 0.433 174 N N 1.343 120.116 118.700 0.122 0.000 2.142 174 N HA -0.097 4.643 4.740 0.000 0.000 0.186 174 N C 1.927 177.493 175.510 0.092 0.000 1.023 174 N CA 0.730 53.858 53.050 0.131 0.000 0.852 174 N CB -0.126 38.472 38.487 0.185 0.000 0.998 174 N HN 0.424 nan 8.380 nan 0.000 0.424 175 I N -1.056 119.561 120.570 0.078 0.000 2.500 175 I HA -0.039 4.131 4.170 0.000 0.000 0.252 175 I C 1.810 177.943 176.117 0.027 0.000 1.142 175 I CA 1.095 62.416 61.300 0.035 0.000 1.451 175 I CB -0.396 37.612 38.000 0.013 0.000 1.093 175 I HN -0.062 nan 8.210 nan 0.000 0.430 176 L N 0.875 122.122 121.223 0.040 0.000 2.291 176 L HA 0.032 4.372 4.340 0.000 0.000 0.214 176 L C 2.614 179.507 176.870 0.037 0.000 1.120 176 L CA 1.045 55.904 54.840 0.033 0.000 0.799 176 L CB -0.608 41.473 42.059 0.036 0.000 0.925 176 L HN 0.452 nan 8.230 nan 0.000 0.446 177 A N -1.398 121.454 122.820 0.053 0.000 2.169 177 A HA 0.022 4.342 4.320 0.000 0.000 0.210 177 A C 1.351 178.977 177.584 0.071 0.000 1.168 177 A CA -0.018 52.059 52.037 0.067 0.000 0.813 177 A CB -0.033 19.019 19.000 0.087 0.000 0.861 177 A HN 0.199 nan 8.150 nan 0.000 0.481 178 S N 0.298 116.027 115.700 0.049 0.000 2.737 178 S HA 0.333 4.803 4.470 0.000 0.000 0.315 178 S C 1.429 176.015 174.600 -0.022 0.000 1.236 178 S CA 1.090 59.307 58.200 0.029 0.000 1.093 178 S CB -0.472 62.730 63.200 0.002 0.000 0.832 178 S HN 1.855 nan 8.310 nan 0.000 0.507 179 G N 2.955 111.726 108.800 -0.048 0.000 2.179 179 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 179 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 179 G C 0.593 175.335 174.900 -0.263 0.000 0.977 179 G CA 0.333 45.240 45.100 -0.321 0.000 0.641 179 G HN 0.816 nan 8.290 nan 0.000 0.533 180 V N -0.190 119.733 119.914 0.015 0.000 2.806 180 V HA 0.440 4.560 4.120 0.000 0.000 0.239 180 V C 0.978 177.226 176.094 0.257 0.000 1.113 180 V CA 0.995 63.345 62.300 0.084 0.000 1.137 180 V CB 0.315 32.174 31.823 0.060 0.000 0.865 180 V HN 0.269 nan 8.190 nan 0.000 0.482 181 I N 1.142 121.879 120.570 0.278 0.000 2.465 181 I HA 0.457 4.627 4.170 0.000 0.000 0.291 181 I C -2.823 173.420 176.117 0.210 0.000 1.014 181 I CA -2.964 58.471 61.300 0.225 0.000 1.093 181 I CB 1.568 39.641 38.000 0.121 0.000 1.267 181 I HN 0.073 nan 8.210 nan 0.000 0.431 182 P HA 0.144 nan 4.420 nan 0.000 0.268 182 P C -1.085 176.207 177.300 -0.014 0.000 1.204 182 P CA -0.034 62.926 63.100 -0.233 0.000 0.768 182 P CB 0.358 31.797 31.700 -0.436 0.000 0.842 183 Q N 2.663 122.481 119.800 0.031 0.000 2.337 183 Q HA 0.470 4.810 4.340 0.000 0.000 0.264 183 Q C -0.951 175.097 176.000 0.080 0.000 1.007 183 Q CA -0.564 55.281 55.803 0.071 0.000 0.727 183 Q CB 1.279 30.076 28.738 0.098 0.000 1.256 183 Q HN 0.331 nan 8.270 nan 0.000 0.467 184 I N 1.122 121.753 120.570 0.102 0.000 2.412 184 I HA 0.330 4.500 4.170 0.000 0.000 0.296 184 I C -0.106 176.068 176.117 0.094 0.000 0.987 184 I CA -0.145 61.244 61.300 0.147 0.000 1.180 184 I CB 2.120 40.221 38.000 0.167 0.000 1.340 184 I HN 0.349 nan 8.210 nan 0.000 0.455 185 S N 6.218 121.987 115.700 0.114 0.000 2.498 185 S HA 0.624 5.094 4.470 0.000 0.000 0.317 185 S C -0.489 174.165 174.600 0.089 0.000 1.090 185 S CA -0.564 57.686 58.200 0.083 0.000 1.089 185 S CB 0.822 64.086 63.200 0.107 0.000 0.997 185 S HN 0.363 nan 8.310 nan 0.000 0.470 186 L N 4.384 125.640 121.223 0.055 0.000 2.272 186 L HA 0.489 4.829 4.340 0.000 0.000 0.289 186 L C -0.784 176.121 176.870 0.058 0.000 1.032 186 L CA -0.599 54.284 54.840 0.072 0.000 0.810 186 L CB 0.780 42.896 42.059 0.095 0.000 1.205 186 L HN 0.484 nan 8.230 nan 0.000 0.422 187 I N 5.590 126.190 120.570 0.050 0.000 2.306 187 I HA 0.227 4.397 4.170 0.000 0.000 0.288 187 I C 0.387 176.523 176.117 0.031 0.000 1.036 187 I CA 0.038 61.361 61.300 0.039 0.000 1.221 187 I CB 1.240 39.252 38.000 0.020 0.000 1.385 187 I HN 0.759 nan 8.210 nan 0.000 0.472 188 M N 4.909 124.534 119.600 0.042 0.000 2.685 188 M HA 0.409 4.889 4.480 0.000 0.000 0.355 188 M C 0.580 176.904 176.300 0.038 0.000 1.197 188 M CA -0.157 55.161 55.300 0.029 0.000 0.947 188 M CB 1.191 33.816 32.600 0.041 0.000 1.346 188 M HN 0.728 nan 8.290 nan 0.000 0.516 189 G N 0.613 109.438 108.800 0.042 0.000 2.435 189 G HA2 0.639 4.599 3.960 0.000 0.000 0.296 189 G HA3 0.639 4.599 3.960 0.000 0.000 0.296 189 G C -2.012 172.910 174.900 0.037 0.000 1.240 189 G CA -0.475 44.652 45.100 0.046 0.000 0.872 189 G HN 0.183 nan 8.290 nan 0.000 0.480 190 A N -0.513 122.331 122.820 0.039 0.000 2.276 190 A HA 0.766 5.086 4.320 0.000 0.000 0.300 190 A C 0.323 177.877 177.584 -0.050 0.000 1.235 190 A CA 0.449 52.488 52.037 0.003 0.000 0.867 190 A CB 0.494 19.530 19.000 0.060 0.000 1.137 190 A HN 2.117 nan 8.150 nan 0.000 0.527 191 A N 2.778 125.489 122.820 -0.182 0.000 2.508 191 A HA 0.674 4.994 4.320 0.000 0.000 0.336 191 A C 0.371 177.699 177.584 -0.426 0.000 1.360 191 A CA 0.203 52.147 52.037 -0.156 0.000 0.841 191 A CB -0.150 18.758 19.000 -0.154 0.000 1.136 191 A HN 1.738 nan 8.150 nan 0.000 0.489 192 A N 1.408 124.059 122.820 -0.281 0.000 2.269 192 A HA 0.971 5.291 4.320 0.000 0.000 0.319 192 A C 0.789 178.364 177.584 -0.015 0.000 1.110 192 A CA 0.184 52.008 52.037 -0.354 0.000 0.847 192 A CB 0.546 19.495 19.000 -0.084 0.000 1.161 192 A HN 2.704 nan 8.150 nan 0.000 0.497 193 G N -0.958 107.839 108.800 -0.005 0.000 2.655 193 G HA2 0.303 4.263 3.960 0.000 0.000 0.680 193 G HA3 0.303 4.263 3.960 0.000 0.000 0.680 193 G C 0.709 175.566 174.900 -0.072 0.000 1.302 193 G CA 0.036 45.165 45.100 0.048 0.000 0.872 193 G HN 1.814 nan 8.290 nan 0.000 0.540 194 G N -0.657 108.108 108.800 -0.058 0.000 2.813 194 G HA2 0.160 4.120 3.960 0.000 0.000 0.209 194 G HA3 0.160 4.120 3.960 0.000 0.000 0.209 194 G C 1.265 176.083 174.900 -0.137 0.000 1.150 194 G CA 1.497 46.509 45.100 -0.146 0.000 0.785 194 G HN 1.477 nan 8.290 nan 0.000 0.535 195 H N 0.790 119.702 119.070 -0.263 0.000 2.567 195 H HA -0.002 4.554 4.556 0.000 0.000 0.276 195 H C 1.845 177.160 175.328 -0.021 0.000 1.016 195 H CA 1.107 56.994 56.048 -0.269 0.000 1.186 195 H CB -0.551 28.839 29.762 -0.620 0.000 1.351 195 H HN 0.294 nan 8.280 nan 0.000 0.605 196 V N -2.529 117.018 119.914 -0.613 0.000 3.380 196 V HA -0.067 4.053 4.120 0.000 0.000 0.268 196 V C 1.811 177.747 176.094 -0.264 0.000 1.168 196 V CA 0.387 62.373 62.300 -0.522 0.000 1.156 196 V CB -1.496 30.012 31.823 -0.526 0.000 0.785 196 V HN 0.194 nan 8.190 nan 0.000 0.487 197 Y N 0.824 121.028 120.300 -0.160 0.000 2.421 197 Y HA -0.130 4.420 4.550 0.000 0.000 0.292 197 Y C 3.026 178.878 175.900 -0.079 0.000 1.136 197 Y CA 1.221 59.187 58.100 -0.224 0.000 1.255 197 Y CB -0.002 38.132 38.460 -0.544 0.000 0.991 197 Y HN 0.369 nan 8.280 nan 0.000 0.552 198 S N 0.375 116.281 115.700 0.343 0.000 2.353 198 S HA -0.131 4.339 4.470 0.000 0.000 0.222 198 S C -0.612 174.123 174.600 0.225 0.000 1.035 198 S CA 1.545 59.987 58.200 0.405 0.000 1.025 198 S CB -1.052 62.419 63.200 0.452 0.000 0.902 198 S HN 0.193 nan 8.310 nan 0.000 0.440 199 P HA -0.022 nan 4.420 nan 0.000 0.215 199 P C 1.560 178.910 177.300 0.084 0.000 1.157 199 P CA 1.713 64.877 63.100 0.108 0.000 0.868 199 P CB -0.295 31.433 31.700 0.046 0.000 0.788 200 A N -0.692 122.161 122.820 0.056 0.000 1.986 200 A HA -0.200 4.120 4.320 0.000 0.000 0.220 200 A C 2.164 179.783 177.584 0.058 0.000 1.171 200 A CA 1.593 53.662 52.037 0.053 0.000 0.640 200 A CB -1.746 17.294 19.000 0.066 0.000 0.811 200 A HN 0.153 nan 8.150 nan 0.000 0.451 201 L N 0.034 121.298 121.223 0.068 0.000 2.313 201 L HA -0.030 4.310 4.340 0.000 0.000 0.214 201 L C 1.968 178.872 176.870 0.056 0.000 1.119 201 L CA 0.780 55.651 54.840 0.052 0.000 0.809 201 L CB -0.801 41.301 42.059 0.072 0.000 0.933 201 L HN 0.632 nan 8.230 nan 0.000 0.449 202 T N -3.891 110.706 114.554 0.072 0.000 2.715 202 T HA -0.001 4.349 4.350 0.000 0.000 0.320 202 T C 0.842 175.518 174.700 -0.040 0.000 1.046 202 T CA -0.330 61.799 62.100 0.049 0.000 0.983 202 T CB 0.729 69.646 68.868 0.081 0.000 1.183 202 T HN 0.023 nan 8.240 nan 0.000 0.522 203 D N -0.636 119.676 120.400 -0.147 0.000 2.262 203 D HA 0.163 4.803 4.640 0.000 0.000 0.212 203 D C -0.052 175.721 176.300 -0.878 0.000 0.964 203 D CA 0.917 54.629 54.000 -0.479 0.000 0.875 203 D CB 0.153 40.611 40.800 -0.571 0.000 0.996 203 D HN 0.491 nan 8.370 nan 0.000 0.497 204 F N 0.539 120.400 119.950 -0.149 0.000 2.547 204 F HA 0.359 4.886 4.527 0.000 0.000 0.316 204 F C -0.352 175.412 175.800 -0.059 0.000 1.121 204 F CA -1.065 56.735 58.000 -0.334 0.000 0.911 204 F CB 2.532 41.460 39.000 -0.121 0.000 1.179 204 F HN -0.431 nan 8.300 nan 0.000 0.443 205 V N 5.087 125.195 119.914 0.324 0.000 2.326 205 V HA 0.371 4.491 4.120 0.000 0.000 0.281 205 V C -0.560 175.712 176.094 0.297 0.000 1.015 205 V CA -0.479 62.014 62.300 0.323 0.000 0.823 205 V CB 1.113 33.108 31.823 0.287 0.000 1.009 205 V HN 0.453 nan 8.190 nan 0.000 0.436 206 I N 6.183 126.872 120.570 0.198 0.000 2.330 206 I HA 0.438 4.608 4.170 0.000 0.000 0.286 206 I C 0.241 176.405 176.117 0.078 0.000 1.025 206 I CA 0.084 61.472 61.300 0.146 0.000 1.197 206 I CB 1.270 39.368 38.000 0.163 0.000 1.358 206 I HN 0.459 nan 8.210 nan 0.000 0.467 207 M N 5.113 124.732 119.600 0.031 0.000 2.409 207 M HA 0.509 4.989 4.480 0.000 0.000 0.329 207 M C -0.564 175.708 176.300 -0.048 0.000 1.180 207 M CA -0.953 54.346 55.300 -0.001 0.000 1.053 207 M CB 1.884 34.488 32.600 0.007 0.000 1.586 207 M HN 0.098 nan 8.290 nan 0.000 0.461 208 V N 1.452 121.341 119.914 -0.042 0.000 2.383 208 V HA 0.096 4.216 4.120 0.000 0.000 0.275 208 V C -0.365 175.694 176.094 -0.058 0.000 1.036 208 V CA -0.677 61.581 62.300 -0.070 0.000 0.889 208 V CB 1.192 32.971 31.823 -0.073 0.000 0.985 208 V HN 0.775 nan 8.190 nan 0.000 0.459 209 D N 4.277 124.627 120.400 -0.084 0.000 2.382 209 D HA 0.273 4.913 4.640 0.000 0.000 0.259 209 D C 0.664 176.942 176.300 -0.037 0.000 1.224 209 D CA 0.580 54.542 54.000 -0.064 0.000 0.894 209 D CB 0.765 41.510 40.800 -0.092 0.000 1.127 209 D HN 0.603 nan 8.370 nan 0.000 0.487 210 Q N 1.194 120.985 119.800 -0.015 0.000 6.783 210 Q HA -0.208 4.132 4.340 0.000 0.000 0.322 210 Q C 1.147 177.150 176.000 0.004 0.000 1.353 210 Q CA 2.114 57.912 55.803 -0.008 0.000 0.598 210 Q CB -1.652 27.073 28.738 -0.021 0.000 0.362 210 Q HN 0.663 nan 8.270 nan 0.000 0.906 211 T N -2.178 112.375 114.554 -0.000 0.000 3.105 211 T HA 0.467 4.817 4.350 0.000 0.000 0.253 211 T C 0.284 174.997 174.700 0.021 0.000 1.047 211 T CA 0.529 62.635 62.100 0.010 0.000 0.944 211 T CB 0.270 69.137 68.868 -0.002 0.000 1.016 211 T HN 0.566 nan 8.240 nan 0.000 0.544 212 S N 0.576 116.292 115.700 0.026 0.000 2.677 212 S HA 0.735 5.205 4.470 0.000 0.000 0.283 212 S C -1.379 173.261 174.600 0.067 0.000 1.159 212 S CA -0.906 57.317 58.200 0.038 0.000 1.001 212 S CB 2.229 65.443 63.200 0.023 0.000 1.032 212 S HN 0.162 nan 8.310 nan 0.000 0.487 213 Q N 1.679 121.527 119.800 0.080 0.000 2.418 213 Q HA 0.811 5.151 4.340 0.000 0.000 0.276 213 Q C -0.769 175.258 176.000 0.044 0.000 1.081 213 Q CA -0.710 55.178 55.803 0.141 0.000 0.864 213 Q CB 1.863 30.766 28.738 0.276 0.000 1.384 213 Q HN 0.884 nan 8.270 nan 0.000 0.467 214 M N 1.796 121.463 119.600 0.111 0.000 2.296 214 M HA 0.611 5.091 4.480 0.000 0.000 0.268 214 M C -2.115 174.269 176.300 0.140 0.000 1.048 214 M CA -0.428 54.827 55.300 -0.075 0.000 0.966 214 M CB 1.175 33.768 32.600 -0.012 0.000 1.912 214 M HN 0.642 nan 8.290 nan 0.000 0.484 215 F N 3.243 123.221 119.950 0.046 0.000 2.725 215 F HA 0.491 5.018 4.527 0.000 0.000 0.309 215 F C -0.698 175.062 175.800 -0.067 0.000 1.132 215 F CA -1.197 56.814 58.000 0.018 0.000 0.957 215 F CB 0.177 39.190 39.000 0.022 0.000 1.286 215 F HN 0.344 nan 8.300 nan 0.000 0.440 216 I N 0.618 121.260 120.570 0.120 0.000 2.141 216 I HA -0.027 4.143 4.170 0.000 0.000 0.236 216 I C 0.987 177.193 176.117 0.148 0.000 1.071 216 I CA 1.330 62.631 61.300 0.002 0.000 1.345 216 I CB -0.929 37.037 38.000 -0.057 0.000 1.066 216 I HN 0.668 nan 8.210 nan 0.000 0.406 217 T N 1.548 116.208 114.554 0.178 0.000 2.875 217 T HA 0.541 4.891 4.350 0.000 0.000 0.284 217 T C 0.353 175.140 174.700 0.145 0.000 0.995 217 T CA -0.526 61.661 62.100 0.144 0.000 1.060 217 T CB 1.732 70.633 68.868 0.056 0.000 0.967 217 T HN 0.377 nan 8.240 nan 0.000 0.476 218 G N 2.137 111.005 108.800 0.114 0.000 2.572 218 G HA2 0.361 4.321 3.960 0.000 0.000 0.261 218 G HA3 0.361 4.321 3.960 0.000 0.000 0.261 218 G C -1.690 173.096 174.900 -0.190 0.000 1.197 218 G CA -1.443 43.620 45.100 -0.061 0.000 0.870 218 G HN 0.399 nan 8.290 nan 0.000 0.548 219 P HA -0.090 nan 4.420 nan 0.000 0.216 219 P C 1.239 178.476 177.300 -0.105 0.000 1.150 219 P CA 1.162 64.139 63.100 -0.206 0.000 0.837 219 P CB 0.228 31.799 31.700 -0.215 0.000 0.786 220 D N -0.416 119.942 120.400 -0.070 0.000 2.108 220 D HA -0.135 4.505 4.640 0.000 0.000 0.190 220 D C 2.031 178.313 176.300 -0.029 0.000 0.995 220 D CA 1.374 55.353 54.000 -0.035 0.000 0.834 220 D CB -0.945 39.848 40.800 -0.012 0.000 0.967 220 D HN -0.006 nan 8.370 nan 0.000 0.446 221 V N 1.941 121.843 119.914 -0.020 0.000 2.252 221 V HA -0.257 3.863 4.120 0.000 0.000 0.249 221 V C 2.698 178.779 176.094 -0.022 0.000 1.056 221 V CA 1.383 63.675 62.300 -0.012 0.000 1.022 221 V CB -0.584 31.241 31.823 0.003 0.000 0.641 221 V HN 0.192 nan 8.190 nan 0.000 0.445 222 I N -0.078 120.470 120.570 -0.038 0.000 2.145 222 I HA -0.350 3.820 4.170 0.000 0.000 0.244 222 I C 2.588 178.683 176.117 -0.036 0.000 1.075 222 I CA 2.134 63.409 61.300 -0.042 0.000 1.332 222 I CB -0.489 37.468 38.000 -0.070 0.000 1.033 222 I HN 0.306 nan 8.210 nan 0.000 0.410 223 K N 1.452 121.827 120.400 -0.041 0.000 1.973 223 K HA -0.194 4.126 4.320 0.000 0.000 0.212 223 K C 2.025 178.612 176.600 -0.022 0.000 1.047 223 K CA 2.508 58.775 56.287 -0.033 0.000 0.937 223 K CB -0.934 31.546 32.500 -0.034 0.000 0.721 223 K HN 0.416 nan 8.250 nan 0.000 0.440 224 T N -1.999 112.544 114.554 -0.019 0.000 3.139 224 T HA -0.019 4.331 4.350 0.000 0.000 0.267 224 T C 1.448 176.141 174.700 -0.010 0.000 1.164 224 T CA 1.079 63.171 62.100 -0.013 0.000 1.075 224 T CB -0.162 68.700 68.868 -0.010 0.000 0.904 224 T HN 0.009 nan 8.240 nan 0.000 0.540 225 V N 1.196 121.103 119.914 -0.012 0.000 2.950 225 V HA 0.084 4.204 4.120 0.000 0.000 0.231 225 V C 2.894 178.983 176.094 -0.010 0.000 1.205 225 V CA 1.092 63.387 62.300 -0.009 0.000 1.239 225 V CB 0.012 31.831 31.823 -0.006 0.000 1.050 225 V HN 0.658 nan 8.190 nan 0.000 0.498 226 T N -2.314 112.232 114.554 -0.013 0.000 3.044 226 T HA 0.282 4.632 4.350 0.000 0.000 0.255 226 T C 1.626 176.317 174.700 -0.015 0.000 1.073 226 T CA 1.441 63.533 62.100 -0.013 0.000 1.125 226 T CB 0.706 69.565 68.868 -0.015 0.000 0.908 226 T HN 1.160 nan 8.240 nan 0.000 0.480 227 G N 1.360 110.149 108.800 -0.018 0.000 2.195 227 G HA2 -0.213 3.747 3.960 0.000 0.000 0.246 227 G HA3 -0.213 3.747 3.960 0.000 0.000 0.246 227 G C -0.186 174.701 174.900 -0.022 0.000 0.984 227 G CA 0.026 45.115 45.100 -0.018 0.000 0.633 227 G HN 0.691 nan 8.290 nan 0.000 0.525 228 E N 0.587 120.772 120.200 -0.025 0.000 2.383 228 E HA 0.455 4.805 4.350 0.000 0.000 0.264 228 E C -0.053 176.524 176.600 -0.038 0.000 1.050 228 E CA -0.005 56.377 56.400 -0.030 0.000 0.896 228 E CB 1.074 30.755 29.700 -0.032 0.000 0.982 228 E HN 0.412 nan 8.360 nan 0.000 0.424 229 E N 2.037 122.214 120.200 -0.038 0.000 2.185 229 E HA 0.345 4.695 4.350 0.000 0.000 0.261 229 E C -1.480 175.090 176.600 -0.050 0.000 0.879 229 E CA -0.678 55.696 56.400 -0.044 0.000 0.756 229 E CB 1.335 31.015 29.700 -0.034 0.000 1.152 229 E HN 0.352 nan 8.360 nan 0.000 0.416 230 V N 0.805 120.677 119.914 -0.069 0.000 2.971 230 V HA 0.632 4.752 4.120 0.000 0.000 0.309 230 V C 0.107 176.144 176.094 -0.096 0.000 1.130 230 V CA -0.778 61.475 62.300 -0.078 0.000 0.964 230 V CB 1.208 32.976 31.823 -0.092 0.000 1.029 230 V HN 0.695 nan 8.190 nan 0.000 0.427 231 T N 0.757 115.263 114.554 -0.080 0.000 2.816 231 T HA 0.412 4.762 4.350 0.000 0.000 0.282 231 T C 1.101 175.735 174.700 -0.110 0.000 0.993 231 T CA -0.056 61.998 62.100 -0.077 0.000 0.994 231 T CB 1.002 69.843 68.868 -0.045 0.000 1.025 231 T HN 0.702 nan 8.240 nan 0.000 0.529 232 M N 0.015 119.561 119.600 -0.090 0.000 2.117 232 M HA -0.047 4.433 4.480 0.000 0.000 0.262 232 M C 2.445 178.737 176.300 -0.013 0.000 1.065 232 M CA 1.901 57.148 55.300 -0.088 0.000 1.114 232 M CB -0.574 32.067 32.600 0.069 0.000 1.361 232 M HN 0.843 nan 8.290 nan 0.000 0.408 233 E N 1.109 121.312 120.200 0.004 0.000 2.118 233 E HA -0.214 4.136 4.350 0.000 0.000 0.195 233 E C 1.542 178.132 176.600 -0.016 0.000 0.992 233 E CA 1.806 58.211 56.400 0.009 0.000 0.804 233 E CB -0.066 29.634 29.700 -0.000 0.000 0.741 233 E HN 0.557 nan 8.360 nan 0.000 0.458 234 E N -0.496 119.680 120.200 -0.039 0.000 2.107 234 E HA -0.116 4.234 4.350 0.000 0.000 0.191 234 E C 2.022 178.576 176.600 -0.077 0.000 0.982 234 E CA 0.763 57.138 56.400 -0.040 0.000 0.809 234 E CB -0.150 29.525 29.700 -0.042 0.000 0.756 234 E HN 0.205 nan 8.360 nan 0.000 0.459 235 L N 0.009 121.164 121.223 -0.114 0.000 2.072 235 L HA 0.049 4.389 4.340 0.000 0.000 0.205 235 L C 1.463 178.242 176.870 -0.150 0.000 1.079 235 L CA 2.052 56.797 54.840 -0.157 0.000 0.752 235 L CB -0.015 41.868 42.059 -0.293 0.000 0.906 235 L HN 0.115 nan 8.230 nan 0.000 0.436 236 G N -1.241 107.517 108.800 -0.070 0.000 5.084 236 G HA2 0.427 4.387 3.960 0.000 0.000 0.241 236 G HA3 0.427 4.387 3.960 0.000 0.000 0.241 236 G C 0.317 175.186 174.900 -0.052 0.000 0.918 236 G CA 0.093 45.100 45.100 -0.155 0.000 0.754 236 G HN 0.602 nan 8.290 nan 0.000 0.478 237 G N -0.585 108.180 108.800 -0.058 0.000 2.563 237 G HA2 0.511 4.471 3.960 0.000 0.000 0.283 237 G HA3 0.511 4.471 3.960 0.000 0.000 0.283 237 G C 1.330 176.251 174.900 0.034 0.000 1.309 237 G CA 0.364 45.481 45.100 0.029 0.000 1.022 237 G HN 0.560 nan 8.290 nan 0.000 0.501 238 A N -1.311 121.540 122.820 0.052 0.000 1.930 238 A HA -0.075 4.245 4.320 0.000 0.000 0.217 238 A C 2.017 179.618 177.584 0.027 0.000 1.175 238 A CA 2.252 54.310 52.037 0.035 0.000 0.627 238 A CB -0.867 18.124 19.000 -0.015 0.000 0.815 238 A HN 0.842 nan 8.150 nan 0.000 0.443 239 H N 0.823 119.862 119.070 -0.052 0.000 2.267 239 H HA -0.149 4.407 4.556 0.000 0.000 0.297 239 H C 2.503 177.803 175.328 -0.046 0.000 1.080 239 H CA 3.225 59.243 56.048 -0.051 0.000 1.278 239 H CB -0.529 29.204 29.762 -0.049 0.000 1.365 239 H HN 0.525 nan 8.280 nan 0.000 0.489 240 T N -1.587 112.905 114.554 -0.103 0.000 2.622 240 T HA -0.231 4.119 4.350 0.000 0.000 0.266 240 T C 1.817 176.422 174.700 -0.158 0.000 1.047 240 T CA 1.649 63.636 62.100 -0.187 0.000 1.159 240 T CB -0.835 67.910 68.868 -0.204 0.000 0.863 240 T HN 0.440 nan 8.240 nan 0.000 0.422 241 H N 0.264 119.281 119.070 -0.088 0.000 2.566 241 H HA 0.160 4.716 4.556 0.000 0.000 0.285 241 H C 1.765 176.975 175.328 -0.197 0.000 1.041 241 H CA 1.322 57.297 56.048 -0.121 0.000 1.207 241 H CB -0.123 29.591 29.762 -0.081 0.000 1.353 241 H HN 0.497 nan 8.280 nan 0.000 0.604 242 M N -1.059 118.488 119.600 -0.088 0.000 2.999 242 M HA 0.303 4.783 4.480 0.000 0.000 0.246 242 M C 2.026 178.270 176.300 -0.093 0.000 1.478 242 M CA 1.279 56.495 55.300 -0.141 0.000 1.243 242 M CB -0.041 32.489 32.600 -0.116 0.000 1.213 242 M HN -0.031 nan 8.290 nan 0.000 0.564 243 A N -0.148 122.600 122.820 -0.121 0.000 2.169 243 A HA 0.139 4.459 4.320 0.000 0.000 0.212 243 A C 1.786 179.430 177.584 0.099 0.000 1.153 243 A CA 0.915 52.943 52.037 -0.015 0.000 0.756 243 A CB -0.242 18.610 19.000 -0.246 0.000 0.813 243 A HN 0.552 nan 8.150 nan 0.000 0.471 244 K N -0.867 119.548 120.400 0.025 0.000 2.446 244 K HA 0.034 4.354 4.320 0.000 0.000 0.238 244 K C 2.214 178.867 176.600 0.089 0.000 1.193 244 K CA 0.824 57.156 56.287 0.074 0.000 0.782 244 K CB -0.143 32.354 32.500 -0.004 0.000 1.506 244 K HN 0.377 nan 8.250 nan 0.000 0.417 245 S N 0.569 116.271 115.700 0.004 0.000 2.442 245 S HA -0.033 4.437 4.470 0.000 0.000 0.236 245 S C 1.432 175.896 174.600 -0.226 0.000 1.007 245 S CA 0.905 59.100 58.200 -0.009 0.000 0.965 245 S CB -0.567 62.711 63.200 0.130 0.000 0.773 245 S HN 0.579 nan 8.310 nan 0.000 0.504 246 G N 0.453 108.904 108.800 -0.582 0.000 2.295 246 G HA2 -0.248 3.712 3.960 0.000 0.000 0.287 246 G HA3 -0.248 3.712 3.960 0.000 0.000 0.287 246 G C 0.420 174.943 174.900 -0.629 0.000 1.055 246 G CA 0.657 44.988 45.100 -1.281 0.000 0.922 246 G HN 0.569 nan 8.290 nan 0.000 0.503 247 T N -0.734 113.586 114.554 -0.391 0.000 3.034 247 T HA 0.513 4.863 4.350 0.000 0.000 0.248 247 T C 1.536 176.046 174.700 -0.317 0.000 1.040 247 T CA 1.039 62.953 62.100 -0.309 0.000 1.107 247 T CB 0.392 69.078 68.868 -0.303 0.000 0.932 247 T HN 1.342 nan 8.240 nan 0.000 0.474 248 A N 0.973 123.634 122.820 -0.265 0.000 2.331 248 A HA 0.481 4.801 4.320 0.000 0.000 0.283 248 A C 0.224 177.674 177.584 -0.223 0.000 1.142 248 A CA -0.310 51.640 52.037 -0.145 0.000 0.812 248 A CB 0.229 19.191 19.000 -0.062 0.000 1.074 248 A HN 0.441 nan 8.150 nan 0.000 0.497 249 H N -0.215 118.891 119.070 0.061 0.000 2.562 249 H HA 0.241 4.797 4.556 0.000 0.000 0.267 249 H C -0.728 174.655 175.328 0.092 0.000 0.959 249 H CA 1.380 57.504 56.048 0.126 0.000 1.204 249 H CB 0.236 30.175 29.762 0.295 0.000 1.430 249 H HN 0.668 nan 8.280 nan 0.000 0.545 250 Y N -0.160 120.084 120.300 -0.094 0.000 2.521 250 Y HA 0.541 5.091 4.550 0.000 0.000 0.332 250 Y C -1.740 174.026 175.900 -0.224 0.000 1.121 250 Y CA -1.678 56.238 58.100 -0.307 0.000 1.037 250 Y CB 1.227 39.140 38.460 -0.912 0.000 1.330 250 Y HN -0.077 nan 8.280 nan 0.000 0.452 251 A N 4.447 126.735 122.820 -0.887 0.000 2.316 251 A HA 0.811 5.131 4.320 0.000 0.000 0.324 251 A C -0.387 176.639 177.584 -0.930 0.000 1.375 251 A CA -0.037 51.622 52.037 -0.629 0.000 0.882 251 A CB -0.398 18.387 19.000 -0.359 0.000 1.152 251 A HN 1.178 nan 8.150 nan 0.000 0.512 252 A N 1.818 124.287 122.820 -0.586 0.000 2.425 252 A HA 0.491 4.811 4.320 0.000 0.000 0.242 252 A C 1.294 178.767 177.584 -0.185 0.000 1.077 252 A CA 0.347 52.222 52.037 -0.270 0.000 0.781 252 A CB 0.167 19.173 19.000 0.010 0.000 1.020 252 A HN 1.799 nan 8.150 nan 0.000 0.494 253 S N 0.352 115.998 115.700 -0.090 0.000 2.597 253 S HA 0.510 4.980 4.470 0.000 0.000 0.224 253 S C 0.571 175.144 174.600 -0.046 0.000 0.955 253 S CA 0.348 58.509 58.200 -0.065 0.000 0.933 253 S CB -0.628 62.553 63.200 -0.031 0.000 0.788 253 S HN 2.222 nan 8.310 nan 0.000 0.488 254 G N 0.167 108.931 108.800 -0.060 0.000 2.340 254 G HA2 0.272 4.232 3.960 0.000 0.000 0.298 254 G HA3 0.272 4.232 3.960 0.000 0.000 0.298 254 G C -0.276 174.533 174.900 -0.152 0.000 1.498 254 G CA -0.629 44.425 45.100 -0.076 0.000 0.847 254 G HN 0.033 nan 8.290 nan 0.000 0.594 255 E N -0.409 119.666 120.200 -0.208 0.000 2.058 255 E HA -0.195 4.155 4.350 0.000 0.000 0.194 255 E C 2.304 178.482 176.600 -0.704 0.000 0.997 255 E CA 1.310 57.416 56.400 -0.490 0.000 0.801 255 E CB 0.044 29.542 29.700 -0.336 0.000 0.746 255 E HN 0.406 nan 8.360 nan 0.000 0.450 256 Q N 0.725 120.377 119.800 -0.247 0.000 2.096 256 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 256 Q C 1.841 177.832 176.000 -0.016 0.000 0.982 256 Q CA 1.456 57.248 55.803 -0.018 0.000 0.850 256 Q CB -0.419 28.365 28.738 0.077 0.000 0.901 256 Q HN 0.272 nan 8.270 nan 0.000 0.422 257 D N -0.102 120.280 120.400 -0.029 0.000 2.117 257 D HA -0.121 4.519 4.640 0.000 0.000 0.197 257 D C 1.673 178.023 176.300 0.083 0.000 0.987 257 D CA 1.530 55.565 54.000 0.058 0.000 0.829 257 D CB -0.008 40.840 40.800 0.080 0.000 0.961 257 D HN 0.206 nan 8.370 nan 0.000 0.460 258 A N -0.260 122.529 122.820 -0.051 0.000 1.845 258 A HA -0.119 4.201 4.320 0.000 0.000 0.215 258 A C 2.064 179.677 177.584 0.048 0.000 1.195 258 A CA 1.434 53.454 52.037 -0.028 0.000 0.616 258 A CB -1.244 17.617 19.000 -0.232 0.000 0.832 258 A HN 0.304 nan 8.150 nan 0.000 0.443 259 F N 0.780 120.777 119.950 0.078 0.000 2.192 259 F HA -0.171 4.356 4.527 0.000 0.000 0.301 259 F C 1.948 177.770 175.800 0.037 0.000 1.079 259 F CA 1.321 59.347 58.000 0.043 0.000 1.303 259 F CB -1.234 37.779 39.000 0.021 0.000 1.024 259 F HN 0.242 nan 8.300 nan 0.000 0.494 260 D N -1.333 119.190 120.400 0.206 0.000 2.097 260 D HA -0.219 4.421 4.640 0.000 0.000 0.195 260 D C 2.098 178.432 176.300 0.057 0.000 0.989 260 D CA 1.123 55.191 54.000 0.114 0.000 0.827 260 D CB -0.584 40.274 40.800 0.096 0.000 0.966 260 D HN 0.290 nan 8.370 nan 0.000 0.456 261 Y N 0.843 121.088 120.300 -0.093 0.000 2.207 261 Y HA -0.229 4.321 4.550 0.000 0.000 0.287 261 Y C 2.055 177.863 175.900 -0.153 0.000 1.156 261 Y CA 1.096 59.051 58.100 -0.242 0.000 1.182 261 Y CB -0.218 37.940 38.460 -0.503 0.000 0.979 261 Y HN -0.156 nan 8.280 nan 0.000 0.521 262 V N 0.702 120.671 119.914 0.092 0.000 2.261 262 V HA -0.318 3.802 4.120 0.000 0.000 0.246 262 V C 2.419 178.471 176.094 -0.071 0.000 1.047 262 V CA 2.260 64.579 62.300 0.032 0.000 1.015 262 V CB -0.638 31.259 31.823 0.124 0.000 0.642 262 V HN 0.336 nan 8.190 nan 0.000 0.446 263 R N -0.122 120.355 120.500 -0.038 0.000 2.091 263 R HA -0.234 4.106 4.340 0.000 0.000 0.238 263 R C 2.350 178.561 176.300 -0.149 0.000 1.136 263 R CA 1.836 57.892 56.100 -0.073 0.000 0.959 263 R CB -0.366 29.912 30.300 -0.035 0.000 0.856 263 R HN 0.487 nan 8.270 nan 0.000 0.437 264 E N 1.043 121.133 120.200 -0.184 0.000 2.106 264 E HA -0.149 4.201 4.350 0.000 0.000 0.192 264 E C 1.700 178.122 176.600 -0.298 0.000 0.984 264 E CA 0.706 56.959 56.400 -0.245 0.000 0.806 264 E CB -0.123 29.438 29.700 -0.231 0.000 0.750 264 E HN 0.130 nan 8.360 nan 0.000 0.458 265 L N -0.354 120.651 121.223 -0.362 0.000 2.313 265 L HA 0.051 4.391 4.340 0.000 0.000 0.214 265 L C 1.595 178.293 176.870 -0.288 0.000 1.119 265 L CA 1.077 55.704 54.840 -0.354 0.000 0.809 265 L CB -0.152 41.588 42.059 -0.532 0.000 0.933 265 L HN 0.195 nan 8.230 nan 0.000 0.449 266 L N -0.804 120.273 121.223 -0.243 0.000 2.446 266 L HA 0.097 4.437 4.340 0.000 0.000 0.219 266 L C 2.448 179.172 176.870 -0.244 0.000 1.116 266 L CA 1.428 56.142 54.840 -0.211 0.000 0.844 266 L CB -0.642 41.331 42.059 -0.142 0.000 0.970 266 L HN 0.528 nan 8.230 nan 0.000 0.457 267 S N -2.643 112.867 115.700 -0.316 0.000 2.607 267 S HA -0.062 4.408 4.470 0.000 0.000 0.224 267 S C 1.564 175.848 174.600 -0.527 0.000 0.969 267 S CA 0.420 58.380 58.200 -0.400 0.000 0.927 267 S CB -0.457 62.471 63.200 -0.452 0.000 0.772 267 S HN 0.494 nan 8.310 nan 0.000 0.533 268 Y N 0.743 120.835 120.300 -0.347 0.000 2.535 268 Y HA 0.477 5.027 4.550 0.000 0.000 0.266 268 Y C 0.719 176.376 175.900 -0.406 0.000 1.088 268 Y CA -0.702 57.155 58.100 -0.406 0.000 1.285 268 Y CB 0.347 38.451 38.460 -0.594 0.000 1.166 268 Y HN 0.155 nan 8.280 nan 0.000 0.525 269 L N 2.884 123.943 121.223 -0.272 0.000 2.357 269 L HA 0.355 4.695 4.340 0.000 0.000 0.273 269 L C -2.195 174.562 176.870 -0.188 0.000 1.080 269 L CA -2.191 52.492 54.840 -0.263 0.000 0.803 269 L CB 0.652 42.487 42.059 -0.372 0.000 1.174 269 L HN -0.185 nan 8.230 nan 0.000 0.443 270 P HA 0.202 nan 4.420 nan 0.000 0.279 270 P C -2.347 174.903 177.300 -0.083 0.000 1.282 270 P CA -1.403 61.657 63.100 -0.067 0.000 0.788 270 P CB 0.351 32.055 31.700 0.006 0.000 1.139 271 P HA -0.041 nan 4.420 nan 0.000 0.231 271 P C -0.207 177.098 177.300 0.008 0.000 1.168 271 P CA 1.253 64.333 63.100 -0.034 0.000 0.779 271 P CB 0.031 31.721 31.700 -0.017 0.000 0.844 272 N N -1.544 117.195 118.700 0.064 0.000 3.046 272 N HA 0.030 4.770 4.740 0.000 0.000 0.243 272 N C 0.105 175.739 175.510 0.206 0.000 1.452 272 N CA -0.812 52.328 53.050 0.150 0.000 0.882 272 N CB -0.731 37.810 38.487 0.091 0.000 1.425 272 N HN -0.348 nan 8.380 nan 0.000 0.517 273 N N -0.953 117.876 118.700 0.214 0.000 2.573 273 N HA -0.045 4.695 4.740 0.000 0.000 0.187 273 N C -0.005 175.537 175.510 0.053 0.000 1.107 273 N CA 0.874 53.991 53.050 0.112 0.000 0.918 273 N CB -0.179 38.286 38.487 -0.036 0.000 0.966 273 N HN 0.453 nan 8.380 nan 0.000 0.448 274 S N -1.405 114.327 115.700 0.053 0.000 2.524 274 S HA 0.108 4.578 4.470 0.000 0.000 0.216 274 S C 0.329 174.945 174.600 0.027 0.000 0.987 274 S CA -0.004 58.213 58.200 0.028 0.000 0.909 274 S CB 0.098 63.311 63.200 0.022 0.000 0.781 274 S HN 0.398 nan 8.310 nan 0.000 0.521 275 T N 2.476 117.054 114.554 0.040 0.000 2.945 275 T HA 0.374 4.724 4.350 0.000 0.000 0.286 275 T C -0.796 173.921 174.700 0.029 0.000 1.025 275 T CA -0.782 61.334 62.100 0.027 0.000 1.039 275 T CB 1.101 69.981 68.868 0.020 0.000 1.068 275 T HN -0.039 nan 8.240 nan 0.000 0.497 276 D N 1.425 121.834 120.400 0.015 0.000 2.264 276 D HA 0.478 5.118 4.640 0.000 0.000 0.249 276 D C 0.126 176.426 176.300 0.000 0.000 1.070 276 D CA -0.321 53.686 54.000 0.012 0.000 0.912 276 D CB 0.925 41.729 40.800 0.006 0.000 1.193 276 D HN 0.679 nan 8.370 nan 0.000 0.427 277 A N 3.193 126.014 122.820 0.001 0.000 2.546 277 A HA 0.252 4.572 4.320 0.000 0.000 0.243 277 A C -1.935 175.615 177.584 -0.057 0.000 1.063 277 A CA -0.838 51.183 52.037 -0.027 0.000 0.757 277 A CB -0.409 18.584 19.000 -0.013 0.000 0.991 277 A HN 0.369 nan 8.150 nan 0.000 0.503 278 P HA 0.134 nan 4.420 nan 0.000 0.267 278 P C -0.525 176.655 177.300 -0.200 0.000 1.209 278 P CA 0.396 63.414 63.100 -0.137 0.000 0.763 278 P CB 0.526 32.123 31.700 -0.171 0.000 0.816 279 R N 2.358 122.772 120.500 -0.143 0.000 2.720 279 R HA 0.558 4.898 4.340 0.000 0.000 0.272 279 R C -0.204 176.043 176.300 -0.089 0.000 0.991 279 R CA -0.644 55.380 56.100 -0.127 0.000 1.010 279 R CB 0.819 31.106 30.300 -0.021 0.000 1.141 279 R HN 0.403 nan 8.270 nan 0.000 0.494 280 Y N 0.261 120.568 120.300 0.013 0.000 2.568 280 Y HA 0.152 4.702 4.550 0.000 0.000 0.327 280 Y C 0.485 176.393 175.900 0.012 0.000 1.163 280 Y CA -1.146 56.957 58.100 0.005 0.000 1.219 280 Y CB 0.868 39.332 38.460 0.006 0.000 1.308 280 Y HN 0.247 nan 8.280 nan 0.000 0.503 281 Q N 1.647 121.566 119.800 0.197 0.000 2.292 281 Q HA 0.126 4.466 4.340 0.000 0.000 0.290 281 Q C -0.383 175.671 176.000 0.090 0.000 1.161 281 Q CA 0.024 55.885 55.803 0.098 0.000 0.974 281 Q CB 0.116 28.881 28.738 0.045 0.000 1.136 281 Q HN 0.665 nan 8.270 nan 0.000 0.398 282 A N 3.143 126.009 122.820 0.075 0.000 2.450 282 A HA 0.505 4.825 4.320 0.000 0.000 0.255 282 A C 0.330 177.941 177.584 0.046 0.000 1.096 282 A CA 0.159 52.234 52.037 0.064 0.000 0.778 282 A CB 0.398 19.430 19.000 0.053 0.000 1.031 282 A HN 0.797 nan 8.150 nan 0.000 0.494 283 A N 1.677 124.523 122.820 0.043 0.000 2.429 283 A HA 0.497 4.817 4.320 0.000 0.000 0.242 283 A C 0.827 178.424 177.584 0.022 0.000 1.088 283 A CA 0.369 52.424 52.037 0.030 0.000 0.784 283 A CB 0.049 19.066 19.000 0.029 0.000 1.038 283 A HN 2.160 nan 8.150 nan 0.000 0.501 284 A N 2.183 125.012 122.820 0.015 0.000 3.150 284 A HA 0.549 4.869 4.320 0.000 0.000 0.328 284 A C -1.581 176.005 177.584 0.004 0.000 1.104 284 A CA -1.136 50.907 52.037 0.009 0.000 0.937 284 A CB -0.773 18.231 19.000 0.008 0.000 1.073 284 A HN 0.745 nan 8.150 nan 0.000 0.497 285 P HA 0.273 nan 4.420 nan 0.000 0.272 285 P C -0.529 176.765 177.300 -0.009 0.000 1.230 285 P CA 0.287 63.385 63.100 -0.004 0.000 0.788 285 P CB 0.761 32.458 31.700 -0.006 0.000 0.949 286 T N 1.122 115.668 114.554 -0.013 0.000 2.770 286 T HA 0.450 4.800 4.350 0.000 0.000 0.297 286 T C 0.658 175.344 174.700 -0.023 0.000 0.997 286 T CA -0.330 61.761 62.100 -0.015 0.000 0.949 286 T CB 0.967 69.829 68.868 -0.011 0.000 0.941 286 T HN 0.610 nan 8.240 nan 0.000 0.457 287 G N 4.883 113.667 108.800 -0.027 0.000 2.690 287 G HA2 0.385 4.345 3.960 0.000 0.000 0.239 287 G HA3 0.385 4.345 3.960 0.000 0.000 0.239 287 G C -2.040 172.842 174.900 -0.031 0.000 1.233 287 G CA -0.794 44.284 45.100 -0.036 0.000 0.847 287 G HN 0.437 nan 8.290 nan 0.000 0.588 288 P HA 0.267 nan 4.420 nan 0.000 0.293 288 P C 1.053 178.304 177.300 -0.082 0.000 1.304 288 P CA -0.635 62.432 63.100 -0.054 0.000 0.767 288 P CB 1.351 33.028 31.700 -0.039 0.000 1.247 289 I N -0.081 120.416 120.570 -0.123 0.000 2.252 289 I HA -0.178 3.992 4.170 0.000 0.000 0.245 289 I C 2.168 178.132 176.117 -0.254 0.000 1.102 289 I CA 1.408 62.599 61.300 -0.183 0.000 1.385 289 I CB -0.705 37.158 38.000 -0.228 0.000 1.064 289 I HN 0.449 nan 8.210 nan 0.000 0.414 290 E N 1.738 121.775 120.200 -0.271 0.000 2.515 290 E HA -0.191 4.159 4.350 0.000 0.000 0.201 290 E C 0.869 177.421 176.600 -0.081 0.000 1.071 290 E CA 0.955 57.225 56.400 -0.216 0.000 0.880 290 E CB -0.270 29.424 29.700 -0.011 0.000 0.828 290 E HN 0.621 nan 8.360 nan 0.000 0.540 291 E N 0.109 120.265 120.200 -0.073 0.000 2.526 291 E HA 0.182 4.532 4.350 0.000 0.000 0.208 291 E C 0.236 176.813 176.600 -0.037 0.000 0.997 291 E CA -0.118 56.259 56.400 -0.038 0.000 0.961 291 E CB 0.350 30.034 29.700 -0.027 0.000 1.030 291 E HN 0.285 nan 8.360 nan 0.000 0.483 292 N N 1.035 119.702 118.700 -0.055 0.000 2.416 292 N HA 0.178 4.918 4.740 0.000 0.000 0.267 292 N C -0.674 174.814 175.510 -0.037 0.000 1.294 292 N CA -0.012 53.015 53.050 -0.039 0.000 0.891 292 N CB 1.022 39.487 38.487 -0.037 0.000 1.238 292 N HN -0.042 nan 8.380 nan 0.000 0.508 293 L N 1.934 123.134 121.223 -0.038 0.000 2.278 293 L HA 0.198 4.538 4.340 0.000 0.000 0.287 293 L C 1.264 178.131 176.870 -0.004 0.000 1.072 293 L CA -0.269 54.557 54.840 -0.023 0.000 0.819 293 L CB 0.582 42.632 42.059 -0.016 0.000 1.176 293 L HN 0.141 nan 8.230 nan 0.000 0.435 294 T N -2.142 112.414 114.554 0.004 0.000 2.788 294 T HA 0.086 4.436 4.350 0.000 0.000 0.287 294 T C 0.863 175.569 174.700 0.009 0.000 1.007 294 T CA -0.795 61.311 62.100 0.009 0.000 1.005 294 T CB 1.193 70.071 68.868 0.015 0.000 1.012 294 T HN 0.466 nan 8.240 nan 0.000 0.530 295 D N -0.050 120.356 120.400 0.009 0.000 2.182 295 D HA -0.108 4.532 4.640 0.000 0.000 0.201 295 D C 1.791 178.097 176.300 0.009 0.000 0.986 295 D CA 1.262 55.267 54.000 0.007 0.000 0.847 295 D CB -0.122 40.683 40.800 0.008 0.000 0.942 295 D HN 0.845 nan 8.370 nan 0.000 0.467 296 E N 0.331 120.541 120.200 0.017 0.000 2.072 296 E HA -0.152 4.198 4.350 0.000 0.000 0.191 296 E C 1.283 177.896 176.600 0.022 0.000 0.985 296 E CA 0.822 57.235 56.400 0.023 0.000 0.801 296 E CB 0.256 29.975 29.700 0.032 0.000 0.750 296 E HN 0.119 nan 8.360 nan 0.000 0.452 297 D N 0.658 121.072 120.400 0.023 0.000 2.123 297 D HA -0.172 4.468 4.640 0.000 0.000 0.196 297 D C 2.070 178.368 176.300 -0.002 0.000 0.992 297 D CA 0.860 54.874 54.000 0.024 0.000 0.833 297 D CB -0.222 40.595 40.800 0.028 0.000 0.954 297 D HN 0.275 nan 8.370 nan 0.000 0.455 298 L N 0.894 122.113 121.223 -0.006 0.000 2.265 298 L HA -0.118 4.222 4.340 0.000 0.000 0.215 298 L C 2.127 178.970 176.870 -0.045 0.000 1.117 298 L CA 0.860 55.684 54.840 -0.026 0.000 0.782 298 L CB -0.405 41.646 42.059 -0.014 0.000 0.914 298 L HN 0.022 nan 8.230 nan 0.000 0.441 299 E N 0.311 120.495 120.200 -0.027 0.000 2.268 299 E HA -0.168 4.182 4.350 0.000 0.000 0.195 299 E C 2.166 178.735 176.600 -0.053 0.000 0.995 299 E CA 0.776 57.159 56.400 -0.027 0.000 0.836 299 E CB -0.054 29.645 29.700 -0.000 0.000 0.763 299 E HN 0.549 nan 8.360 nan 0.000 0.491 300 L N 1.008 122.185 121.223 -0.076 0.000 2.395 300 L HA -0.097 4.243 4.340 0.000 0.000 0.218 300 L C 1.455 178.132 176.870 -0.322 0.000 1.130 300 L CA 0.379 55.130 54.840 -0.150 0.000 0.826 300 L CB -0.081 41.902 42.059 -0.128 0.000 0.941 300 L HN 0.004 nan 8.230 nan 0.000 0.451 301 D N -0.411 119.837 120.400 -0.252 0.000 2.269 301 D HA -0.098 4.542 4.640 0.000 0.000 0.208 301 D C 1.805 177.983 176.300 -0.204 0.000 0.963 301 D CA 1.592 55.427 54.000 -0.274 0.000 0.864 301 D CB 0.153 40.844 40.800 -0.182 0.000 0.936 301 D HN 0.363 nan 8.370 nan 0.000 0.505 302 T N -1.951 112.516 114.554 -0.145 0.000 3.132 302 T HA 0.141 4.491 4.350 0.000 0.000 0.274 302 T C 1.534 176.178 174.700 -0.093 0.000 1.011 302 T CA -0.336 61.703 62.100 -0.102 0.000 0.899 302 T CB 0.065 68.894 68.868 -0.066 0.000 1.089 302 T HN -0.067 nan 8.240 nan 0.000 0.543 303 L N 1.075 122.231 121.223 -0.113 0.000 2.093 303 L HA 0.326 4.666 4.340 0.000 0.000 0.208 303 L C 0.539 177.293 176.870 -0.194 0.000 1.085 303 L CA 1.177 55.956 54.840 -0.102 0.000 0.755 303 L CB -0.333 41.693 42.059 -0.054 0.000 0.904 303 L HN 0.249 nan 8.230 nan 0.000 0.435 304 I N 2.118 122.564 120.570 -0.207 0.000 2.436 304 I HA 0.157 4.327 4.170 0.000 0.000 0.289 304 I C -1.758 174.284 176.117 -0.125 0.000 1.083 304 I CA -1.857 59.290 61.300 -0.255 0.000 1.372 304 I CB -0.347 37.579 38.000 -0.123 0.000 1.408 304 I HN 0.106 nan 8.210 nan 0.000 0.516 305 P HA 0.022 nan 4.420 nan 0.000 0.267 305 P C 0.471 177.772 177.300 0.002 0.000 1.201 305 P CA -0.043 63.051 63.100 -0.010 0.000 0.775 305 P CB 0.840 32.565 31.700 0.042 0.000 0.854 306 D N -0.648 119.757 120.400 0.008 0.000 2.178 306 D HA -0.079 4.561 4.640 0.000 0.000 0.202 306 D C 0.711 177.028 176.300 0.029 0.000 0.974 306 D CA 1.127 55.135 54.000 0.013 0.000 0.841 306 D CB -0.251 40.555 40.800 0.011 0.000 0.953 306 D HN 0.229 nan 8.370 nan 0.000 0.478 307 S N 1.673 117.395 115.700 0.036 0.000 2.443 307 S HA 0.069 4.539 4.470 0.000 0.000 0.284 307 S C -1.339 173.297 174.600 0.061 0.000 1.206 307 S CA -1.368 56.861 58.200 0.047 0.000 1.074 307 S CB 1.053 64.281 63.200 0.048 0.000 0.963 307 S HN -0.055 nan 8.310 nan 0.000 0.501 308 P HA -0.159 nan 4.420 nan 0.000 0.218 308 P C 0.323 177.679 177.300 0.093 0.000 1.146 308 P CA 1.500 64.648 63.100 0.080 0.000 0.820 308 P CB -0.048 31.703 31.700 0.084 0.000 0.778 309 N N -1.384 117.367 118.700 0.086 0.000 2.220 309 N HA 0.016 4.756 4.740 0.000 0.000 0.195 309 N C 0.879 176.440 175.510 0.085 0.000 1.123 309 N CA -0.271 52.831 53.050 0.085 0.000 0.874 309 N CB 0.227 38.759 38.487 0.075 0.000 0.995 309 N HN 0.227 nan 8.380 nan 0.000 0.498 310 Q N 2.556 122.411 119.800 0.092 0.000 2.274 310 Q HA 0.122 4.462 4.340 0.000 0.000 0.280 310 Q C -2.399 173.686 176.000 0.143 0.000 1.047 310 Q CA -1.436 54.424 55.803 0.096 0.000 0.907 310 Q CB 0.679 29.469 28.738 0.087 0.000 1.171 310 Q HN -0.014 nan 8.270 nan 0.000 0.381 311 P HA 0.027 nan 4.420 nan 0.000 0.271 311 P C -1.666 175.742 177.300 0.180 0.000 1.244 311 P CA 0.269 63.411 63.100 0.069 0.000 0.793 311 P CB 0.252 31.957 31.700 0.008 0.000 0.984 312 Y N -2.626 117.687 120.300 0.022 0.000 2.465 312 Y HA 0.347 4.897 4.550 0.000 0.000 0.323 312 Y C -1.286 174.633 175.900 0.031 0.000 1.191 312 Y CA -1.291 56.828 58.100 0.031 0.000 1.082 312 Y CB 0.524 39.008 38.460 0.040 0.000 1.334 312 Y HN 0.168 nan 8.280 nan 0.000 0.449 313 D N 4.063 124.519 120.400 0.094 0.000 2.371 313 D HA 0.020 4.660 4.640 0.000 0.000 0.256 313 D C 0.792 177.141 176.300 0.081 0.000 1.193 313 D CA 0.074 54.104 54.000 0.049 0.000 0.881 313 D CB 1.421 42.296 40.800 0.125 0.000 1.143 313 D HN 0.903 nan 8.370 nan 0.000 0.473 314 M N 4.257 123.808 119.600 -0.082 0.000 2.279 314 M HA -0.162 4.318 4.480 0.000 0.000 0.264 314 M C 1.267 177.535 176.300 -0.053 0.000 1.062 314 M CA 1.713 56.964 55.300 -0.082 0.000 1.099 314 M CB -0.535 31.925 32.600 -0.234 0.000 1.394 314 M HN 0.494 nan 8.290 nan 0.000 0.426 315 H N -0.320 118.732 119.070 -0.030 0.000 2.489 315 H HA -0.105 4.451 4.556 0.000 0.000 0.295 315 H C 1.795 177.121 175.328 -0.004 0.000 1.082 315 H CA 1.503 57.522 56.048 -0.048 0.000 1.295 315 H CB -0.080 29.680 29.762 -0.003 0.000 1.380 315 H HN 0.398 nan 8.280 nan 0.000 0.548 316 E N 0.191 120.493 120.200 0.170 0.000 2.204 316 E HA -0.109 4.241 4.350 0.000 0.000 0.195 316 E C 2.152 178.829 176.600 0.128 0.000 0.990 316 E CA 0.680 57.169 56.400 0.149 0.000 0.821 316 E CB 0.047 29.856 29.700 0.181 0.000 0.750 316 E HN 0.375 nan 8.360 nan 0.000 0.477 317 V N 0.679 120.663 119.914 0.117 0.000 2.426 317 V HA -0.100 4.020 4.120 0.000 0.000 0.242 317 V C 2.373 178.481 176.094 0.024 0.000 1.036 317 V CA 0.716 63.083 62.300 0.111 0.000 1.044 317 V CB -0.361 31.519 31.823 0.094 0.000 0.688 317 V HN 0.131 nan 8.190 nan 0.000 0.462 318 I N 0.876 121.396 120.570 -0.083 0.000 2.151 318 I HA -0.277 3.893 4.170 0.000 0.000 0.243 318 I C 2.556 178.604 176.117 -0.115 0.000 1.080 318 I CA 2.063 63.241 61.300 -0.204 0.000 1.339 318 I CB -0.828 36.873 38.000 -0.499 0.000 1.039 318 I HN 0.315 nan 8.210 nan 0.000 0.409 319 T N 0.322 114.854 114.554 -0.037 0.000 2.803 319 T HA -0.156 4.194 4.350 0.000 0.000 0.269 319 T C 1.879 176.608 174.700 0.048 0.000 1.052 319 T CA 1.223 63.341 62.100 0.029 0.000 1.136 319 T CB -0.252 68.656 68.868 0.067 0.000 0.864 319 T HN 0.342 nan 8.240 nan 0.000 0.467 320 R N 0.018 120.550 120.500 0.053 0.000 2.297 320 R HA 0.288 4.628 4.340 0.000 0.000 0.197 320 R C 1.820 178.163 176.300 0.072 0.000 0.943 320 R CA 0.283 56.423 56.100 0.067 0.000 1.038 320 R CB 0.009 30.357 30.300 0.079 0.000 0.957 320 R HN 0.369 nan 8.270 nan 0.000 0.484 321 L N 0.052 121.311 121.223 0.060 0.000 2.362 321 L HA 0.183 4.523 4.340 0.000 0.000 0.204 321 L C 0.694 177.607 176.870 0.073 0.000 1.060 321 L CA 0.126 55.008 54.840 0.070 0.000 0.827 321 L CB 0.057 42.149 42.059 0.056 0.000 1.027 321 L HN 0.055 nan 8.230 nan 0.000 0.474 322 L N 0.696 121.957 121.223 0.064 0.000 2.439 322 L HA 0.026 4.366 4.340 0.000 0.000 0.269 322 L C 1.104 178.043 176.870 0.114 0.000 1.179 322 L CA -0.470 54.431 54.840 0.102 0.000 0.828 322 L CB 0.528 42.660 42.059 0.122 0.000 1.106 322 L HN 0.086 nan 8.230 nan 0.000 0.467 323 D N 1.221 121.703 120.400 0.136 0.000 2.108 323 D HA -0.133 4.507 4.640 0.000 0.000 0.190 323 D C 0.169 176.542 176.300 0.121 0.000 0.995 323 D CA 1.721 55.797 54.000 0.126 0.000 0.834 323 D CB -0.019 40.872 40.800 0.152 0.000 0.967 323 D HN 0.714 nan 8.370 nan 0.000 0.446 324 D N -0.708 119.783 120.400 0.151 0.000 2.688 324 D HA 0.163 4.803 4.640 0.000 0.000 0.210 324 D C -1.013 175.394 176.300 0.179 0.000 1.333 324 D CA -0.387 53.697 54.000 0.140 0.000 0.920 324 D CB 1.330 42.191 40.800 0.101 0.000 1.554 324 D HN 0.067 nan 8.370 nan 0.000 0.579 325 E N 0.300 120.613 120.200 0.188 0.000 7.553 325 E HA -0.175 4.175 4.350 0.000 0.000 0.426 325 E C -1.614 175.184 176.600 0.330 0.000 0.455 325 E CA -0.002 56.533 56.400 0.226 0.000 0.852 325 E CB -0.478 29.328 29.700 0.177 0.000 0.955 325 E HN 0.482 nan 8.360 nan 0.000 0.262 326 F N 3.687 123.712 119.950 0.126 0.000 2.426 326 F HA 0.464 4.991 4.527 0.000 0.000 0.348 326 F C -0.604 175.258 175.800 0.103 0.000 1.124 326 F CA -1.271 56.794 58.000 0.108 0.000 1.008 326 F CB 0.875 39.939 39.000 0.106 0.000 1.139 326 F HN 0.391 nan 8.300 nan 0.000 0.452 327 L N 6.564 127.609 121.223 -0.297 0.000 2.302 327 L HA 0.337 4.677 4.340 0.000 0.000 0.285 327 L C -0.041 176.408 176.870 -0.702 0.000 1.090 327 L CA 0.097 54.739 54.840 -0.330 0.000 0.866 327 L CB 0.110 42.085 42.059 -0.140 0.000 1.244 327 L HN 0.697 nan 8.230 nan 0.000 0.435 328 E N 3.831 123.654 120.200 -0.630 0.000 2.366 328 E HA 0.297 4.647 4.350 0.000 0.000 0.266 328 E C -0.815 175.682 176.600 -0.172 0.000 1.051 328 E CA -0.593 55.453 56.400 -0.590 0.000 0.884 328 E CB 0.798 30.356 29.700 -0.236 0.000 1.006 328 E HN 0.445 nan 8.360 nan 0.000 0.417 329 I N 3.493 123.930 120.570 -0.222 0.000 2.441 329 I HA 0.080 4.250 4.170 0.000 0.000 0.295 329 I C 0.072 176.192 176.117 0.005 0.000 0.994 329 I CA -0.227 61.060 61.300 -0.022 0.000 1.144 329 I CB 1.339 39.293 38.000 -0.077 0.000 1.314 329 I HN 0.825 nan 8.210 nan 0.000 0.445 330 Q N 3.000 122.851 119.800 0.084 0.000 2.439 330 Q HA -0.245 4.095 4.340 0.000 0.000 0.325 330 Q C 1.173 177.206 176.000 0.055 0.000 1.372 330 Q CA 0.656 56.490 55.803 0.051 0.000 0.909 330 Q CB -1.069 27.709 28.738 0.067 0.000 1.167 330 Q HN 0.855 nan 8.270 nan 0.000 0.418 331 A N -0.153 122.697 122.820 0.051 0.000 2.019 331 A HA 0.004 4.324 4.320 0.000 0.000 0.219 331 A C 1.837 179.437 177.584 0.026 0.000 1.164 331 A CA 1.508 53.575 52.037 0.051 0.000 0.644 331 A CB 0.008 19.055 19.000 0.078 0.000 0.805 331 A HN 0.652 nan 8.150 nan 0.000 0.449 332 G N -2.668 106.143 108.800 0.019 0.000 3.434 332 G HA2 0.376 4.336 3.960 0.000 0.000 0.258 332 G HA3 0.376 4.336 3.960 0.000 0.000 0.258 332 G C -0.280 174.646 174.900 0.043 0.000 1.128 332 G CA -0.070 45.032 45.100 0.004 0.000 0.792 332 G HN 0.343 nan 8.290 nan 0.000 0.539 333 Y N 0.434 120.669 120.300 -0.108 0.000 2.425 333 Y HA 0.486 5.036 4.550 0.000 0.000 0.344 333 Y C 0.271 176.094 175.900 -0.128 0.000 0.969 333 Y CA -1.180 56.853 58.100 -0.111 0.000 1.052 333 Y CB 2.008 40.411 38.460 -0.095 0.000 1.215 333 Y HN 0.408 nan 8.280 nan 0.000 0.451 334 A N 4.936 127.351 122.820 -0.674 0.000 2.312 334 A HA -0.275 4.045 4.320 0.000 0.000 0.286 334 A C 0.749 178.078 177.584 -0.425 0.000 1.425 334 A CA 1.350 53.039 52.037 -0.580 0.000 0.748 334 A CB -1.657 16.965 19.000 -0.630 0.000 1.126 334 A HN 0.901 nan 8.150 nan 0.000 0.368 335 Q N 0.161 119.624 119.800 -0.560 0.000 2.557 335 Q HA -0.135 4.205 4.340 0.000 0.000 0.217 335 Q C 1.494 177.191 176.000 -0.504 0.000 0.978 335 Q CA 0.809 56.309 55.803 -0.506 0.000 0.950 335 Q CB -0.201 28.226 28.738 -0.519 0.000 0.991 335 Q HN 1.039 nan 8.270 nan 0.000 0.533 336 N N 0.457 118.873 118.700 -0.473 0.000 2.398 336 N HA 0.032 4.772 4.740 0.000 0.000 0.188 336 N C -0.016 175.416 175.510 -0.129 0.000 1.122 336 N CA 0.160 53.089 53.050 -0.201 0.000 0.866 336 N CB 0.417 38.900 38.487 -0.006 0.000 0.970 336 N HN 0.162 nan 8.380 nan 0.000 0.462 337 I N -0.139 120.337 120.570 -0.157 0.000 2.692 337 I HA 0.385 4.555 4.170 0.000 0.000 0.293 337 I C -1.701 174.338 176.117 -0.131 0.000 1.200 337 I CA -0.935 60.290 61.300 -0.125 0.000 1.036 337 I CB 2.539 40.486 38.000 -0.088 0.000 1.258 337 I HN -0.232 nan 8.210 nan 0.000 0.421 338 V N 7.324 127.155 119.914 -0.138 0.000 2.487 338 V HA 0.740 4.860 4.120 0.000 0.000 0.298 338 V C -0.611 175.409 176.094 -0.125 0.000 1.028 338 V CA -0.588 61.638 62.300 -0.122 0.000 0.860 338 V CB 1.716 33.423 31.823 -0.193 0.000 0.991 338 V HN 0.637 nan 8.190 nan 0.000 0.427 339 V N 1.754 121.544 119.914 -0.207 0.000 2.962 339 V HA 1.158 5.278 4.120 0.000 0.000 0.313 339 V C -0.022 175.676 176.094 -0.660 0.000 1.099 339 V CA -0.090 61.888 62.300 -0.536 0.000 0.971 339 V CB 1.591 32.830 31.823 -0.975 0.000 1.028 339 V HN 1.365 nan 8.190 nan 0.000 0.430 340 G N 1.175 109.471 108.800 -0.841 0.000 2.316 340 G HA2 0.500 4.460 3.960 0.000 0.000 0.296 340 G HA3 0.500 4.460 3.960 0.000 0.000 0.296 340 G C -1.867 172.824 174.900 -0.348 0.000 1.399 340 G CA -0.798 43.834 45.100 -0.779 0.000 0.833 340 G HN 0.741 nan 8.290 nan 0.000 0.565 341 F N 0.160 119.977 119.950 -0.221 0.000 2.399 341 F HA 0.849 5.376 4.527 0.000 0.000 0.328 341 F C 1.062 176.599 175.800 -0.438 0.000 1.084 341 F CA 0.349 58.096 58.000 -0.422 0.000 1.053 341 F CB 2.155 40.566 39.000 -0.982 0.000 1.209 341 F HN 0.858 nan 8.300 nan 0.000 0.502 342 G N 1.231 109.921 108.800 -0.183 0.000 2.576 342 G HA2 0.598 4.558 3.960 0.000 0.000 0.290 342 G HA3 0.598 4.558 3.960 0.000 0.000 0.290 342 G C -1.885 173.145 174.900 0.217 0.000 1.442 342 G CA -1.097 44.088 45.100 0.141 0.000 0.792 342 G HN 0.473 nan 8.290 nan 0.000 0.491 343 R N -0.317 120.358 120.500 0.292 0.000 2.621 343 R HA 0.590 4.930 4.340 0.000 0.000 0.292 343 R C -1.016 175.395 176.300 0.186 0.000 0.969 343 R CA -0.784 55.470 56.100 0.257 0.000 0.887 343 R CB 2.238 32.724 30.300 0.309 0.000 1.180 343 R HN 0.390 nan 8.270 nan 0.000 0.450 344 I N 2.816 123.476 120.570 0.150 0.000 2.466 344 I HA 0.102 4.272 4.170 0.000 0.000 0.279 344 I C -0.446 175.737 176.117 0.109 0.000 1.033 344 I CA -0.171 61.203 61.300 0.123 0.000 1.123 344 I CB 1.482 39.549 38.000 0.111 0.000 1.237 344 I HN 0.710 nan 8.210 nan 0.000 0.460 345 D N 4.732 125.196 120.400 0.108 0.000 3.051 345 D HA -0.158 4.482 4.640 0.000 0.000 0.218 345 D C 0.976 177.340 176.300 0.107 0.000 1.129 345 D CA 1.680 55.736 54.000 0.093 0.000 0.868 345 D CB -0.826 40.018 40.800 0.074 0.000 1.100 345 D HN 1.050 nan 8.370 nan 0.000 0.429 346 G N -0.804 108.082 108.800 0.145 0.000 2.279 346 G HA2 -0.324 3.636 3.960 0.000 0.000 0.223 346 G HA3 -0.324 3.636 3.960 0.000 0.000 0.223 346 G C 0.362 175.323 174.900 0.103 0.000 1.015 346 G CA 0.165 45.369 45.100 0.173 0.000 0.621 346 G HN 0.546 nan 8.290 nan 0.000 0.506 347 R N 1.541 122.097 120.500 0.094 0.000 2.297 347 R HA 0.491 4.831 4.340 0.000 0.000 0.308 347 R C -2.702 173.660 176.300 0.105 0.000 1.029 347 R CA -1.713 54.429 56.100 0.071 0.000 0.929 347 R CB 1.047 31.389 30.300 0.070 0.000 1.046 347 R HN 0.138 nan 8.270 nan 0.000 0.461 348 P HA 0.033 nan 4.420 nan 0.000 0.276 348 P C -0.940 176.446 177.300 0.143 0.000 1.230 348 P CA -0.285 62.924 63.100 0.181 0.000 0.776 348 P CB 1.042 32.847 31.700 0.174 0.000 0.888 349 V N 0.400 120.411 119.914 0.162 0.000 3.049 349 V HA 0.911 5.031 4.120 0.000 0.000 0.309 349 V C -0.195 176.059 176.094 0.266 0.000 1.148 349 V CA -1.092 61.317 62.300 0.181 0.000 0.990 349 V CB 1.918 33.829 31.823 0.147 0.000 1.039 349 V HN 0.568 nan 8.190 nan 0.000 0.430 350 G N 3.293 112.255 108.800 0.271 0.000 2.322 350 G HA2 0.642 4.602 3.960 0.000 0.000 0.309 350 G HA3 0.642 4.602 3.960 0.000 0.000 0.309 350 G C -0.705 174.387 174.900 0.319 0.000 1.121 350 G CA -0.565 44.741 45.100 0.344 0.000 0.886 350 G HN 0.603 nan 8.290 nan 0.000 0.447 351 I N 2.344 123.107 120.570 0.323 0.000 2.377 351 I HA 0.348 4.518 4.170 0.000 0.000 0.293 351 I C -0.340 175.850 176.117 0.121 0.000 0.987 351 I CA -0.982 60.423 61.300 0.175 0.000 1.185 351 I CB 1.588 39.649 38.000 0.103 0.000 1.341 351 I HN 0.068 nan 8.210 nan 0.000 0.455 352 V N 5.698 125.655 119.914 0.072 0.000 2.439 352 V HA 0.657 4.777 4.120 0.000 0.000 0.277 352 V C 0.030 176.091 176.094 -0.054 0.000 1.008 352 V CA -0.494 61.820 62.300 0.024 0.000 0.846 352 V CB 1.428 33.320 31.823 0.116 0.000 1.031 352 V HN 0.882 nan 8.190 nan 0.000 0.441 353 A N 3.947 126.702 122.820 -0.109 0.000 2.374 353 A HA 0.808 5.128 4.320 0.000 0.000 0.317 353 A C -0.373 177.114 177.584 -0.163 0.000 1.094 353 A CA -0.796 51.149 52.037 -0.153 0.000 0.765 353 A CB 1.114 19.995 19.000 -0.199 0.000 1.268 353 A HN 0.767 nan 8.150 nan 0.000 0.438 354 N N 0.957 119.555 118.700 -0.170 0.000 2.514 354 N HA 0.400 5.140 4.740 0.000 0.000 0.277 354 N C -0.406 174.987 175.510 -0.195 0.000 1.126 354 N CA -0.196 52.756 53.050 -0.164 0.000 0.978 354 N CB 0.814 39.202 38.487 -0.165 0.000 1.106 354 N HN 0.605 nan 8.380 nan 0.000 0.461 355 Q N 3.170 122.866 119.800 -0.173 0.000 2.421 355 Q HA 0.316 4.656 4.340 0.000 0.000 0.242 355 Q C -2.214 173.680 176.000 -0.176 0.000 1.024 355 Q CA -2.187 53.504 55.803 -0.186 0.000 0.891 355 Q CB 1.291 29.946 28.738 -0.138 0.000 1.222 355 Q HN 0.369 nan 8.270 nan 0.000 0.483 356 P HA -0.137 nan 4.420 nan 0.000 0.221 356 P C 0.551 177.748 177.300 -0.172 0.000 1.145 356 P CA 1.400 64.328 63.100 -0.286 0.000 0.795 356 P CB 0.204 31.545 31.700 -0.598 0.000 0.775 357 T N -5.752 108.713 114.554 -0.147 0.000 3.215 357 T HA -0.047 4.303 4.350 0.000 0.000 0.254 357 T C 0.231 174.895 174.700 -0.060 0.000 1.149 357 T CA 0.293 62.346 62.100 -0.077 0.000 1.042 357 T CB -0.953 67.891 68.868 -0.040 0.000 0.966 357 T HN 0.142 nan 8.240 nan 0.000 0.534 358 H N -0.886 118.085 119.070 -0.165 0.000 3.018 358 H HA 0.409 4.965 4.556 0.000 0.000 0.334 358 H C -0.467 174.771 175.328 -0.151 0.000 0.983 358 H CA -1.352 54.529 56.048 -0.279 0.000 1.363 358 H CB 0.423 29.968 29.762 -0.361 0.000 1.668 358 H HN 0.166 nan 8.280 nan 0.000 0.513 359 F N 3.004 122.912 119.950 -0.069 0.000 3.048 359 F HA -0.365 4.162 4.527 0.000 0.000 0.287 359 F C 1.345 177.122 175.800 -0.039 0.000 0.796 359 F CA 0.372 58.353 58.000 -0.032 0.000 1.111 359 F CB -1.503 37.515 39.000 0.030 0.000 1.320 359 F HN 0.824 nan 8.300 nan 0.000 0.430 360 A N -1.165 121.717 122.820 0.103 0.000 2.861 360 A HA 0.003 4.323 4.320 0.000 0.000 0.261 360 A C 1.904 179.478 177.584 -0.016 0.000 1.351 360 A CA 1.908 53.959 52.037 0.023 0.000 0.904 360 A CB -1.932 17.091 19.000 0.039 0.000 1.076 360 A HN 2.368 nan 8.150 nan 0.000 0.729 361 G N -3.555 105.250 108.800 0.008 0.000 2.194 361 G HA2 -0.122 3.838 3.960 0.000 0.000 0.236 361 G HA3 -0.122 3.838 3.960 0.000 0.000 0.236 361 G C 0.823 175.702 174.900 -0.036 0.000 0.987 361 G CA 0.409 45.479 45.100 -0.049 0.000 0.635 361 G HN 1.723 nan 8.290 nan 0.000 0.520 362 C N 0.816 120.129 119.300 0.022 0.000 2.746 362 C HA 0.419 4.879 4.460 0.000 0.000 0.403 362 C C 1.400 176.376 174.990 -0.024 0.000 1.270 362 C CA 0.168 59.163 59.018 -0.037 0.000 1.978 362 C CB -0.328 27.404 27.740 -0.014 0.000 2.724 362 C HN 0.500 nan 8.230 nan 0.000 0.678 363 L N 2.264 123.406 121.223 -0.134 0.000 2.343 363 L HA 0.538 4.878 4.340 0.000 0.000 0.275 363 L C -0.092 176.863 176.870 0.141 0.000 1.056 363 L CA 0.078 54.901 54.840 -0.029 0.000 0.804 363 L CB 1.407 43.372 42.059 -0.156 0.000 1.203 363 L HN 0.874 nan 8.230 nan 0.000 0.440 364 D N 0.117 120.605 120.400 0.147 0.000 2.664 364 D HA 0.335 4.975 4.640 0.000 0.000 0.292 364 D C 0.826 177.185 176.300 0.099 0.000 1.214 364 D CA -0.793 53.281 54.000 0.123 0.000 0.932 364 D CB 0.946 41.791 40.800 0.076 0.000 1.420 364 D HN 0.286 nan 8.370 nan 0.000 0.471 365 I N 0.154 120.761 120.570 0.063 0.000 2.068 365 I HA -0.342 3.828 4.170 0.000 0.000 0.238 365 I C 1.901 178.053 176.117 0.058 0.000 1.046 365 I CA 1.729 63.062 61.300 0.054 0.000 1.306 365 I CB -0.765 37.260 38.000 0.042 0.000 1.023 365 I HN 0.469 nan 8.210 nan 0.000 0.399 366 N N 0.664 119.380 118.700 0.027 0.000 2.061 366 N HA -0.210 4.530 4.740 0.000 0.000 0.193 366 N C 1.975 177.466 175.510 -0.032 0.000 1.030 366 N CA 1.272 54.313 53.050 -0.016 0.000 0.856 366 N CB -0.260 38.061 38.487 -0.276 0.000 1.023 366 N HN 0.403 nan 8.380 nan 0.000 0.424 367 A N 1.009 123.795 122.820 -0.056 0.000 1.883 367 A HA -0.165 4.155 4.320 0.000 0.000 0.217 367 A C 2.422 180.032 177.584 0.043 0.000 1.186 367 A CA 1.731 53.749 52.037 -0.030 0.000 0.624 367 A CB -0.706 18.288 19.000 -0.011 0.000 0.822 367 A HN 0.219 nan 8.150 nan 0.000 0.444 368 S N -0.307 115.439 115.700 0.076 0.000 2.359 368 S HA -0.193 4.277 4.470 0.000 0.000 0.224 368 S C 1.880 176.546 174.600 0.110 0.000 1.035 368 S CA 1.631 59.892 58.200 0.101 0.000 1.018 368 S CB -0.370 62.901 63.200 0.118 0.000 0.876 368 S HN 0.708 nan 8.310 nan 0.000 0.448 369 E N 1.064 121.332 120.200 0.114 0.000 2.051 369 E HA -0.191 4.159 4.350 0.000 0.000 0.192 369 E C 2.173 178.869 176.600 0.159 0.000 0.991 369 E CA 1.032 57.509 56.400 0.130 0.000 0.799 369 E CB -0.158 29.623 29.700 0.135 0.000 0.748 369 E HN 0.420 nan 8.360 nan 0.000 0.449 370 K N 0.899 121.411 120.400 0.187 0.000 2.034 370 K HA -0.248 4.072 4.320 0.000 0.000 0.214 370 K C 2.147 178.857 176.600 0.184 0.000 1.051 370 K CA 1.670 58.077 56.287 0.200 0.000 0.931 370 K CB -0.200 32.414 32.500 0.190 0.000 0.715 370 K HN 0.102 nan 8.250 nan 0.000 0.446 371 A N 0.866 123.773 122.820 0.146 0.000 1.873 371 A HA -0.050 4.270 4.320 0.000 0.000 0.215 371 A C 2.366 180.086 177.584 0.227 0.000 1.186 371 A CA 1.847 53.990 52.037 0.177 0.000 0.616 371 A CB -0.922 18.145 19.000 0.112 0.000 0.823 371 A HN 0.548 nan 8.150 nan 0.000 0.442 372 A N 0.129 123.056 122.820 0.179 0.000 1.859 372 A HA -0.262 4.058 4.320 0.000 0.000 0.217 372 A C 2.199 179.888 177.584 0.174 0.000 1.198 372 A CA 2.565 54.705 52.037 0.171 0.000 0.629 372 A CB -0.584 18.501 19.000 0.141 0.000 0.830 372 A HN 0.487 nan 8.150 nan 0.000 0.446 373 R N -1.172 119.433 120.500 0.175 0.000 2.091 373 R HA -0.151 4.189 4.340 0.000 0.000 0.238 373 R C 1.806 178.226 176.300 0.200 0.000 1.136 373 R CA 2.063 58.261 56.100 0.164 0.000 0.959 373 R CB -0.974 29.430 30.300 0.174 0.000 0.856 373 R HN 0.510 nan 8.270 nan 0.000 0.437 374 F N -0.189 119.835 119.950 0.124 0.000 2.134 374 F HA -0.126 4.401 4.527 0.000 0.000 0.299 374 F C 1.875 177.746 175.800 0.118 0.000 1.097 374 F CA 1.451 59.527 58.000 0.127 0.000 1.264 374 F CB -0.355 38.698 39.000 0.088 0.000 1.001 374 F HN -0.120 nan 8.300 nan 0.000 0.479 375 V N 0.605 120.603 119.914 0.140 0.000 2.295 375 V HA -0.302 3.818 4.120 0.000 0.000 0.246 375 V C 2.528 178.606 176.094 -0.026 0.000 1.049 375 V CA 2.278 64.610 62.300 0.054 0.000 1.024 375 V CB -0.667 31.255 31.823 0.165 0.000 0.648 375 V HN 0.244 nan 8.190 nan 0.000 0.447 376 R N -0.473 120.037 120.500 0.017 0.000 2.096 376 R HA -0.130 4.210 4.340 0.000 0.000 0.235 376 R C 2.408 178.667 176.300 -0.069 0.000 1.127 376 R CA 1.870 57.962 56.100 -0.013 0.000 0.968 376 R CB -0.532 29.786 30.300 0.030 0.000 0.861 376 R HN 0.523 nan 8.270 nan 0.000 0.440 377 T N -0.153 114.366 114.554 -0.060 0.000 2.777 377 T HA -0.162 4.188 4.350 0.000 0.000 0.266 377 T C 1.981 176.693 174.700 0.020 0.000 1.040 377 T CA 1.194 63.280 62.100 -0.023 0.000 1.141 377 T CB -0.288 68.592 68.868 0.021 0.000 0.868 377 T HN 0.356 nan 8.240 nan 0.000 0.444 378 C N 1.303 120.539 119.300 -0.106 0.000 2.429 378 C HA -0.085 4.375 4.460 0.000 0.000 0.277 378 C C 2.655 177.634 174.990 -0.018 0.000 1.262 378 C CA 0.680 59.678 59.018 -0.034 0.000 1.733 378 C CB -0.991 26.655 27.740 -0.157 0.000 2.010 378 C HN 0.637 nan 8.230 nan 0.000 0.483 379 D N -0.643 119.710 120.400 -0.079 0.000 2.178 379 D HA -0.121 4.519 4.640 0.000 0.000 0.202 379 D C 2.044 178.254 176.300 -0.149 0.000 0.974 379 D CA 1.114 55.055 54.000 -0.098 0.000 0.841 379 D CB -0.213 40.520 40.800 -0.110 0.000 0.953 379 D HN 0.443 nan 8.370 nan 0.000 0.478 380 C N -0.561 118.591 119.300 -0.247 0.000 2.429 380 C HA -0.076 4.384 4.460 0.000 0.000 0.277 380 C C 1.514 176.125 174.990 -0.632 0.000 1.262 380 C CA 0.524 59.231 59.018 -0.517 0.000 1.733 380 C CB -1.162 26.084 27.740 -0.823 0.000 2.010 380 C HN 0.318 nan 8.230 nan 0.000 0.483 381 F N 1.259 121.196 119.950 -0.022 0.000 2.925 381 F HA 0.269 4.796 4.527 0.000 0.000 0.302 381 F C 0.590 176.376 175.800 -0.022 0.000 1.189 381 F CA -0.307 57.681 58.000 -0.020 0.000 1.346 381 F CB -0.704 38.287 39.000 -0.015 0.000 0.954 381 F HN 0.159 nan 8.300 nan 0.000 0.506 382 N N 1.339 120.078 118.700 0.064 0.000 2.714 382 N HA -0.197 4.543 4.740 0.000 0.000 0.252 382 N C -0.805 174.739 175.510 0.057 0.000 1.014 382 N CA 0.575 53.650 53.050 0.041 0.000 0.735 382 N CB -1.205 37.305 38.487 0.037 0.000 0.924 382 N HN 0.225 nan 8.380 nan 0.000 0.540 383 I N 0.309 120.922 120.570 0.071 0.000 2.339 383 I HA 0.310 4.480 4.170 0.000 0.000 0.290 383 I C -1.959 174.200 176.117 0.070 0.000 0.994 383 I CA -2.276 59.077 61.300 0.088 0.000 1.191 383 I CB 1.156 39.247 38.000 0.152 0.000 1.343 383 I HN -0.254 nan 8.210 nan 0.000 0.458 384 P HA 0.174 nan 4.420 nan 0.000 0.266 384 P C -0.374 176.977 177.300 0.084 0.000 1.195 384 P CA 0.193 63.330 63.100 0.060 0.000 0.768 384 P CB 0.576 32.316 31.700 0.067 0.000 0.838 385 I N 3.010 123.622 120.570 0.070 0.000 2.307 385 I HA 0.197 4.367 4.170 0.000 0.000 0.289 385 I C -0.372 175.823 176.117 0.130 0.000 1.021 385 I CA -0.684 60.683 61.300 0.111 0.000 1.224 385 I CB 1.238 39.299 38.000 0.101 0.000 1.376 385 I HN -0.037 nan 8.210 nan 0.000 0.470 386 V N 7.597 127.590 119.914 0.132 0.000 2.304 386 V HA 0.378 4.498 4.120 0.000 0.000 0.278 386 V C 0.102 176.238 176.094 0.070 0.000 1.018 386 V CA -0.563 61.794 62.300 0.096 0.000 0.814 386 V CB 0.974 32.847 31.823 0.084 0.000 1.021 386 V HN 0.712 nan 8.190 nan 0.000 0.440 387 M N 4.931 124.558 119.600 0.046 0.000 2.268 387 M HA 0.754 5.234 4.480 0.000 0.000 0.344 387 M C -1.230 175.017 176.300 -0.088 0.000 1.106 387 M CA -0.526 54.767 55.300 -0.013 0.000 1.010 387 M CB 1.641 34.233 32.600 -0.013 0.000 1.649 387 M HN 0.278 nan 8.290 nan 0.000 0.443 388 L N 4.286 125.431 121.223 -0.130 0.000 2.257 388 L HA 0.563 4.903 4.340 0.000 0.000 0.290 388 L C -0.550 176.195 176.870 -0.208 0.000 1.044 388 L CA -0.976 53.745 54.840 -0.197 0.000 0.810 388 L CB 1.133 43.061 42.059 -0.218 0.000 1.193 388 L HN 0.568 nan 8.230 nan 0.000 0.425 389 V N 1.904 121.683 119.914 -0.225 0.000 2.567 389 V HA 0.413 4.533 4.120 0.000 0.000 0.289 389 V C -0.213 175.761 176.094 -0.200 0.000 1.049 389 V CA -0.189 61.990 62.300 -0.203 0.000 0.969 389 V CB 1.667 33.381 31.823 -0.182 0.000 0.995 389 V HN 0.777 nan 8.190 nan 0.000 0.471 390 D N 2.598 122.887 120.400 -0.185 0.000 3.198 390 D HA 0.114 4.754 4.640 0.000 0.000 0.237 390 D C -1.515 174.671 176.300 -0.189 0.000 1.468 390 D CA -0.040 53.860 54.000 -0.168 0.000 0.948 390 D CB 1.133 41.865 40.800 -0.115 0.000 1.479 390 D HN 0.386 nan 8.370 nan 0.000 0.611 391 V N 3.327 123.105 119.914 -0.226 0.000 2.531 391 V HA 0.656 4.776 4.120 0.000 0.000 0.301 391 V C -1.962 173.958 176.094 -0.291 0.000 1.034 391 V CA -2.014 60.146 62.300 -0.233 0.000 0.865 391 V CB 2.538 34.215 31.823 -0.243 0.000 0.995 391 V HN 0.100 nan 8.190 nan 0.000 0.424 392 P HA 0.329 nan 4.420 nan 0.000 0.239 392 P C 0.564 177.891 177.300 0.045 0.000 1.188 392 P CA 1.277 64.318 63.100 -0.100 0.000 0.794 392 P CB 0.794 32.522 31.700 0.046 0.000 0.937 393 G N -0.563 108.148 108.800 -0.148 0.000 2.373 393 G HA2 0.216 4.176 3.960 0.000 0.000 0.250 393 G HA3 0.216 4.176 3.960 0.000 0.000 0.250 393 G C -1.819 172.800 174.900 -0.468 0.000 1.304 393 G CA -0.825 44.131 45.100 -0.239 0.000 0.948 393 G HN -0.033 nan 8.290 nan 0.000 0.474 394 F N 0.189 120.138 119.950 -0.001 0.000 2.480 394 F HA 0.635 5.162 4.527 0.000 0.000 0.329 394 F C 0.561 176.314 175.800 -0.077 0.000 1.091 394 F CA -0.745 57.234 58.000 -0.035 0.000 0.972 394 F CB 1.920 40.900 39.000 -0.034 0.000 1.150 394 F HN 0.381 nan 8.300 nan 0.000 0.467 395 L N 5.895 127.135 121.223 0.029 0.000 2.745 395 L HA 0.169 4.509 4.340 0.000 0.000 0.273 395 L C -2.292 174.511 176.870 -0.112 0.000 1.156 395 L CA -1.095 53.650 54.840 -0.159 0.000 0.982 395 L CB -0.585 41.250 42.059 -0.373 0.000 1.295 395 L HN 0.302 nan 8.230 nan 0.000 0.483 396 P HA 0.420 nan 4.420 nan 0.000 0.265 396 P C -0.431 176.799 177.300 -0.116 0.000 1.193 396 P CA -0.069 62.983 63.100 -0.080 0.000 0.765 396 P CB 0.854 32.519 31.700 -0.059 0.000 0.823 397 G N 0.540 109.269 108.800 -0.119 0.000 2.380 397 G HA2 0.241 4.201 3.960 0.000 0.000 0.305 397 G HA3 0.241 4.201 3.960 0.000 0.000 0.305 397 G C 0.641 175.417 174.900 -0.207 0.000 1.672 397 G CA -0.062 44.953 45.100 -0.141 0.000 0.904 397 G HN 0.456 nan 8.290 nan 0.000 0.686 398 T N -1.355 113.043 114.554 -0.260 0.000 2.708 398 T HA -0.112 4.238 4.350 0.000 0.000 0.266 398 T C 1.465 175.745 174.700 -0.701 0.000 1.037 398 T CA 2.197 63.980 62.100 -0.529 0.000 1.146 398 T CB -0.175 68.404 68.868 -0.481 0.000 0.865 398 T HN 0.340 nan 8.240 nan 0.000 0.435 399 D N 0.919 121.122 120.400 -0.327 0.000 2.263 399 D HA -0.079 4.561 4.640 0.000 0.000 0.208 399 D C 2.372 178.614 176.300 -0.097 0.000 0.971 399 D CA 0.710 54.635 54.000 -0.126 0.000 0.867 399 D CB -0.147 40.652 40.800 -0.003 0.000 0.929 399 D HN 0.427 nan 8.370 nan 0.000 0.492 400 Q N 0.503 120.217 119.800 -0.143 0.000 2.083 400 Q HA -0.092 4.248 4.340 0.000 0.000 0.198 400 Q C 2.038 177.983 176.000 -0.093 0.000 0.969 400 Q CA 0.798 56.546 55.803 -0.092 0.000 0.838 400 Q CB -0.018 28.663 28.738 -0.095 0.000 0.900 400 Q HN 0.413 nan 8.270 nan 0.000 0.436 401 E N -0.058 120.038 120.200 -0.173 0.000 2.047 401 E HA -0.143 4.207 4.350 0.000 0.000 0.191 401 E C 2.038 178.659 176.600 0.036 0.000 0.987 401 E CA 0.862 57.193 56.400 -0.114 0.000 0.799 401 E CB -0.296 29.294 29.700 -0.184 0.000 0.752 401 E HN 0.390 nan 8.360 nan 0.000 0.449 402 Y N 1.235 121.524 120.300 -0.018 0.000 2.207 402 Y HA -0.115 4.435 4.550 0.000 0.000 0.287 402 Y C 1.795 177.689 175.900 -0.009 0.000 1.156 402 Y CA 0.692 58.785 58.100 -0.012 0.000 1.182 402 Y CB -1.034 37.421 38.460 -0.008 0.000 0.979 402 Y HN 0.146 nan 8.280 nan 0.000 0.521 403 N N -0.903 117.884 118.700 0.146 0.000 2.398 403 N HA 0.192 4.932 4.740 0.000 0.000 0.188 403 N C 0.541 176.082 175.510 0.052 0.000 1.122 403 N CA 0.422 53.523 53.050 0.085 0.000 0.866 403 N CB 0.170 38.697 38.487 0.067 0.000 0.970 403 N HN 0.367 nan 8.380 nan 0.000 0.462 404 G N 1.541 110.366 108.800 0.043 0.000 2.600 404 G HA2 -0.199 3.761 3.960 0.000 0.000 0.251 404 G HA3 -0.199 3.761 3.960 0.000 0.000 0.251 404 G C 0.503 175.396 174.900 -0.011 0.000 1.142 404 G CA -0.424 44.684 45.100 0.015 0.000 0.994 404 G HN 0.222 nan 8.290 nan 0.000 0.511 405 I N 0.355 120.903 120.570 -0.037 0.000 2.252 405 I HA 0.026 4.196 4.170 0.000 0.000 0.245 405 I C 2.515 178.565 176.117 -0.112 0.000 1.102 405 I CA 1.341 62.596 61.300 -0.075 0.000 1.385 405 I CB -0.288 37.643 38.000 -0.115 0.000 1.064 405 I HN 0.518 nan 8.210 nan 0.000 0.414 406 I N 0.210 120.713 120.570 -0.111 0.000 2.127 406 I HA -0.318 3.852 4.170 0.000 0.000 0.241 406 I C 2.729 178.804 176.117 -0.069 0.000 1.075 406 I CA 1.777 63.009 61.300 -0.114 0.000 1.334 406 I CB -0.612 37.338 38.000 -0.083 0.000 1.040 406 I HN 0.242 nan 8.210 nan 0.000 0.405 407 R N 1.259 121.735 120.500 -0.041 0.000 2.062 407 R HA -0.115 4.225 4.340 0.000 0.000 0.231 407 R C 2.510 178.799 176.300 -0.018 0.000 1.136 407 R CA 1.431 57.516 56.100 -0.025 0.000 0.948 407 R CB -0.082 30.208 30.300 -0.017 0.000 0.845 407 R HN 0.260 nan 8.270 nan 0.000 0.430 408 R N -0.640 119.854 120.500 -0.010 0.000 2.119 408 R HA 0.030 4.370 4.340 0.000 0.000 0.222 408 R C 2.323 178.635 176.300 0.021 0.000 1.088 408 R CA 1.015 57.120 56.100 0.009 0.000 0.984 408 R CB -0.265 30.048 30.300 0.022 0.000 0.884 408 R HN 0.393 nan 8.270 nan 0.000 0.447 409 G N 1.329 110.127 108.800 -0.003 0.000 2.422 409 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 409 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 409 G C 1.575 176.496 174.900 0.035 0.000 1.140 409 G CA 0.677 45.785 45.100 0.014 0.000 0.775 409 G HN 0.367 nan 8.290 nan 0.000 0.545 410 A N 0.898 123.724 122.820 0.010 0.000 2.076 410 A HA -0.015 4.305 4.320 0.000 0.000 0.220 410 A C 2.248 179.888 177.584 0.093 0.000 1.160 410 A CA 1.859 53.921 52.037 0.042 0.000 0.653 410 A CB -0.320 18.695 19.000 0.024 0.000 0.801 410 A HN 0.420 nan 8.150 nan 0.000 0.455 411 K N -0.471 119.974 120.400 0.074 0.000 2.063 411 K HA -0.106 4.214 4.320 0.000 0.000 0.208 411 K C 1.872 178.564 176.600 0.154 0.000 1.048 411 K CA 1.392 57.736 56.287 0.094 0.000 0.928 411 K CB -0.367 32.169 32.500 0.060 0.000 0.713 411 K HN 0.505 nan 8.250 nan 0.000 0.442 412 L N 1.083 122.388 121.223 0.136 0.000 2.017 412 L HA -0.190 4.150 4.340 0.000 0.000 0.208 412 L C 2.273 179.241 176.870 0.164 0.000 1.073 412 L CA 1.112 56.041 54.840 0.148 0.000 0.745 412 L CB -0.184 41.947 42.059 0.119 0.000 0.894 412 L HN 0.254 nan 8.230 nan 0.000 0.432 413 L N -1.442 119.865 121.223 0.141 0.000 1.990 413 L HA -0.338 4.003 4.340 0.000 0.000 0.213 413 L C 2.531 179.494 176.870 0.156 0.000 1.072 413 L CA 1.840 56.756 54.840 0.127 0.000 0.755 413 L CB -0.726 41.391 42.059 0.096 0.000 0.889 413 L HN 0.285 nan 8.230 nan 0.000 0.432 414 Y N 0.330 120.666 120.300 0.059 0.000 2.097 414 Y HA -0.353 4.197 4.550 0.000 0.000 0.282 414 Y C 2.521 178.451 175.900 0.051 0.000 1.152 414 Y CA 1.730 59.857 58.100 0.045 0.000 1.136 414 Y CB -0.342 38.137 38.460 0.031 0.000 0.975 414 Y HN 0.160 nan 8.280 nan 0.000 0.498 415 A N -0.625 122.376 122.820 0.303 0.000 1.917 415 A HA -0.311 4.009 4.320 0.000 0.000 0.219 415 A C 2.156 179.792 177.584 0.087 0.000 1.182 415 A CA 2.101 54.257 52.037 0.199 0.000 0.633 415 A CB -1.598 17.519 19.000 0.196 0.000 0.819 415 A HN 0.748 nan 8.150 nan 0.000 0.448 416 Y N 0.186 120.488 120.300 0.004 0.000 2.184 416 Y HA 0.073 4.623 4.550 0.000 0.000 0.290 416 Y C 2.554 178.410 175.900 -0.074 0.000 1.129 416 Y CA 1.415 59.498 58.100 -0.029 0.000 1.144 416 Y CB -0.618 37.828 38.460 -0.024 0.000 0.995 416 Y HN 0.259 nan 8.280 nan 0.000 0.513 417 G N -0.440 108.367 108.800 0.012 0.000 2.432 417 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 417 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 417 G C 1.531 176.304 174.900 -0.211 0.000 1.135 417 G CA 0.923 45.966 45.100 -0.094 0.000 0.767 417 G HN 0.505 nan 8.290 nan 0.000 0.550 418 E N 0.576 120.613 120.200 -0.272 0.000 2.152 418 E HA 0.184 4.534 4.350 0.000 0.000 0.192 418 E C 1.621 178.099 176.600 -0.202 0.000 0.983 418 E CA 0.188 56.421 56.400 -0.279 0.000 0.818 418 E CB -0.117 29.381 29.700 -0.337 0.000 0.758 418 E HN 0.328 nan 8.360 nan 0.000 0.467 419 A N 0.588 123.273 122.820 -0.225 0.000 2.531 419 A HA 0.030 4.350 4.320 0.000 0.000 0.236 419 A C 1.001 178.457 177.584 -0.214 0.000 1.062 419 A CA 0.877 52.778 52.037 -0.227 0.000 0.760 419 A CB 0.267 19.075 19.000 -0.320 0.000 0.995 419 A HN 0.386 nan 8.150 nan 0.000 0.501 420 T N -0.855 113.606 114.554 -0.156 0.000 2.958 420 T HA 0.278 4.628 4.350 0.000 0.000 0.256 420 T C 0.688 175.330 174.700 -0.097 0.000 0.983 420 T CA 0.514 62.542 62.100 -0.120 0.000 0.924 420 T CB -1.320 67.494 68.868 -0.090 0.000 1.136 420 T HN 1.284 nan 8.240 nan 0.000 0.506 421 V N 0.175 120.032 119.914 -0.094 0.000 3.484 421 V HA 0.342 4.462 4.120 0.000 0.000 0.304 421 V C -2.703 173.356 176.094 -0.057 0.000 1.116 421 V CA -1.957 60.307 62.300 -0.059 0.000 1.187 421 V CB -0.685 31.112 31.823 -0.043 0.000 1.062 421 V HN 0.021 nan 8.190 nan 0.000 0.489 422 P HA 0.258 nan 4.420 nan 0.000 0.264 422 P C -0.954 176.343 177.300 -0.005 0.000 1.193 422 P CA 0.330 63.428 63.100 -0.005 0.000 0.763 422 P CB 0.160 31.872 31.700 0.020 0.000 0.810 423 K N 3.737 124.134 120.400 -0.005 0.000 2.413 423 K HA 0.565 4.885 4.320 0.000 0.000 0.257 423 K C -0.480 176.171 176.600 0.084 0.000 0.946 423 K CA -0.306 55.995 56.287 0.022 0.000 0.823 423 K CB 1.344 33.804 32.500 -0.065 0.000 1.109 423 K HN 0.381 nan 8.250 nan 0.000 0.427 424 I N 1.750 122.382 120.570 0.104 0.000 2.509 424 I HA 0.379 4.549 4.170 0.000 0.000 0.293 424 I C -0.522 175.642 176.117 0.077 0.000 1.020 424 I CA -0.712 60.643 61.300 0.091 0.000 1.088 424 I CB 2.472 40.525 38.000 0.088 0.000 1.267 424 I HN 0.465 nan 8.210 nan 0.000 0.430 425 T N 4.840 119.418 114.554 0.040 0.000 2.886 425 T HA 0.544 4.894 4.350 0.000 0.000 0.292 425 T C -0.716 173.946 174.700 -0.064 0.000 1.012 425 T CA -0.508 61.580 62.100 -0.020 0.000 0.982 425 T CB 2.218 71.058 68.868 -0.047 0.000 1.018 425 T HN 0.200 nan 8.240 nan 0.000 0.451 426 V N 4.300 124.138 119.914 -0.126 0.000 2.409 426 V HA 0.442 4.562 4.120 0.000 0.000 0.290 426 V C -0.229 175.682 176.094 -0.305 0.000 1.017 426 V CA -0.756 61.418 62.300 -0.210 0.000 0.841 426 V CB 1.284 32.960 31.823 -0.246 0.000 1.003 426 V HN 0.827 nan 8.190 nan 0.000 0.426 427 I N 4.720 125.135 120.570 -0.257 0.000 2.337 427 I HA 0.164 4.334 4.170 0.000 0.000 0.291 427 I C 1.635 177.527 176.117 -0.375 0.000 1.046 427 I CA 0.109 61.261 61.300 -0.247 0.000 1.324 427 I CB 1.807 39.737 38.000 -0.117 0.000 1.409 427 I HN 0.816 nan 8.210 nan 0.000 0.494 428 T N 3.042 117.320 114.554 -0.460 0.000 3.051 428 T HA 0.161 4.511 4.350 0.000 0.000 0.255 428 T C 1.232 175.882 174.700 -0.084 0.000 1.085 428 T CA 0.336 62.125 62.100 -0.519 0.000 1.109 428 T CB 0.523 68.954 68.868 -0.728 0.000 0.921 428 T HN 0.674 nan 8.240 nan 0.000 0.488 429 R N -0.309 120.142 120.500 -0.082 0.000 4.282 429 R HA 0.364 4.704 4.340 0.000 0.000 0.093 429 R C -1.078 175.160 176.300 -0.103 0.000 0.657 429 R CA -0.573 55.513 56.100 -0.023 0.000 0.538 429 R CB 0.054 30.393 30.300 0.065 0.000 0.704 429 R HN -0.069 nan 8.270 nan 0.000 0.349 430 K N 0.836 121.140 120.400 -0.161 0.000 2.382 430 K HA 0.466 4.786 4.320 0.000 0.000 0.275 430 K C -1.406 174.956 176.600 -0.397 0.000 1.009 430 K CA 0.873 56.929 56.287 -0.385 0.000 0.970 430 K CB 1.562 33.815 32.500 -0.412 0.000 0.934 430 K HN 0.473 nan 8.250 nan 0.000 0.479 431 A N 3.523 126.002 122.820 -0.568 0.000 2.538 431 A HA 0.375 4.695 4.320 0.000 0.000 0.293 431 A C -1.872 175.612 177.584 -0.167 0.000 1.065 431 A CA -0.740 51.127 52.037 -0.283 0.000 0.936 431 A CB 0.206 19.194 19.000 -0.021 0.000 1.481 431 A HN 0.419 nan 8.150 nan 0.000 0.394 432 Y N 0.897 121.205 120.300 0.014 0.000 2.468 432 Y HA 0.686 5.236 4.550 0.000 0.000 0.342 432 Y C 1.318 177.244 175.900 0.044 0.000 1.021 432 Y CA -0.302 57.806 58.100 0.013 0.000 1.079 432 Y CB 1.510 39.968 38.460 -0.004 0.000 1.226 432 Y HN 1.451 nan 8.280 nan 0.000 0.460 433 G N 1.462 110.406 108.800 0.239 0.000 2.505 433 G HA2 -0.291 3.669 3.960 0.000 0.000 0.542 433 G HA3 -0.291 3.669 3.960 0.000 0.000 0.542 433 G C 1.356 176.387 174.900 0.219 0.000 1.383 433 G CA 0.645 45.851 45.100 0.178 0.000 0.915 433 G HN 1.232 nan 8.290 nan 0.000 0.515 434 G N -0.133 108.802 108.800 0.224 0.000 2.783 434 G HA2 -0.018 3.942 3.960 0.000 0.000 0.225 434 G HA3 -0.018 3.942 3.960 0.000 0.000 0.225 434 G C 2.309 177.317 174.900 0.180 0.000 1.191 434 G CA 3.641 48.892 45.100 0.252 0.000 0.774 434 G HN 2.137 nan 8.290 nan 0.000 0.632 435 A N 0.042 122.900 122.820 0.063 0.000 1.984 435 A HA -0.306 4.014 4.320 0.000 0.000 0.224 435 A C 2.205 179.728 177.584 -0.102 0.000 1.256 435 A CA 2.648 54.553 52.037 -0.219 0.000 0.679 435 A CB -0.957 17.835 19.000 -0.347 0.000 0.829 435 A HN 0.932 nan 8.150 nan 0.000 0.483 436 Y N 0.099 120.345 120.300 -0.089 0.000 2.114 436 Y HA -0.281 4.269 4.550 0.000 0.000 0.284 436 Y C 2.632 178.472 175.900 -0.099 0.000 1.143 436 Y CA 1.457 59.503 58.100 -0.091 0.000 1.135 436 Y CB -1.087 37.353 38.460 -0.033 0.000 0.980 436 Y HN 0.411 nan 8.280 nan 0.000 0.499 437 C N -0.594 118.530 119.300 -0.293 0.000 2.388 437 C HA -0.217 4.243 4.460 0.000 0.000 0.277 437 C C 2.908 177.700 174.990 -0.330 0.000 1.210 437 C CA 1.530 60.333 59.018 -0.358 0.000 1.743 437 C CB -1.563 26.137 27.740 -0.066 0.000 2.047 437 C HN 0.571 nan 8.230 nan 0.000 0.458 438 V N 0.413 120.228 119.914 -0.166 0.000 2.913 438 V HA 0.004 4.124 4.120 0.000 0.000 0.260 438 V C 1.208 177.128 176.094 -0.290 0.000 1.098 438 V CA 1.406 63.622 62.300 -0.140 0.000 1.121 438 V CB -0.448 31.397 31.823 0.036 0.000 0.714 438 V HN 0.516 nan 8.190 nan 0.000 0.487 439 M N 1.660 121.055 119.600 -0.342 0.000 3.690 439 M HA 0.392 4.872 4.480 0.000 0.000 0.209 439 M C 1.088 177.070 176.300 -0.531 0.000 1.403 439 M CA -0.249 54.824 55.300 -0.377 0.000 1.621 439 M CB -1.351 31.082 32.600 -0.278 0.000 1.056 439 M HN 0.444 nan 8.290 nan 0.000 0.593 440 G N 2.072 110.349 108.800 -0.871 0.000 2.370 440 G HA2 -0.208 3.752 3.960 0.000 0.000 0.293 440 G HA3 -0.208 3.752 3.960 0.000 0.000 0.293 440 G C 0.257 174.838 174.900 -0.532 0.000 0.992 440 G CA 0.534 44.988 45.100 -1.078 0.000 1.247 440 G HN 0.782 nan 8.290 nan 0.000 0.505 441 S N -0.317 115.058 115.700 -0.542 0.000 2.586 441 S HA 0.608 5.078 4.470 0.000 0.000 0.274 441 S C 1.530 175.990 174.600 -0.234 0.000 1.281 441 S CA 0.273 58.132 58.200 -0.569 0.000 1.035 441 S CB 2.100 64.794 63.200 -0.843 0.000 0.962 441 S HN 0.657 nan 8.310 nan 0.000 0.512 442 K N 1.634 121.949 120.400 -0.142 0.000 2.032 442 K HA -0.214 4.106 4.320 0.000 0.000 0.218 442 K C 1.025 177.598 176.600 -0.045 0.000 1.054 442 K CA 2.414 58.684 56.287 -0.029 0.000 0.941 442 K CB -0.911 31.613 32.500 0.039 0.000 0.720 442 K HN 0.757 nan 8.250 nan 0.000 0.449 443 D N -0.462 119.864 120.400 -0.123 0.000 2.392 443 D HA -0.093 4.547 4.640 0.000 0.000 0.228 443 D C 0.997 177.264 176.300 -0.054 0.000 1.003 443 D CA 0.483 54.430 54.000 -0.088 0.000 0.917 443 D CB 0.137 40.857 40.800 -0.133 0.000 0.890 443 D HN 0.256 nan 8.370 nan 0.000 0.532 444 M N -1.079 118.497 119.600 -0.040 0.000 2.428 444 M HA 0.162 4.642 4.480 0.000 0.000 0.239 444 M C 1.205 177.562 176.300 0.095 0.000 1.121 444 M CA 0.174 55.490 55.300 0.026 0.000 1.019 444 M CB 0.616 33.227 32.600 0.018 0.000 1.485 444 M HN 0.149 nan 8.290 nan 0.000 0.484 445 G N -0.161 108.675 108.800 0.061 0.000 2.205 445 G HA2 -0.183 3.777 3.960 0.000 0.000 0.180 445 G HA3 -0.183 3.777 3.960 0.000 0.000 0.180 445 G C 0.224 175.142 174.900 0.030 0.000 1.004 445 G CA -0.100 45.010 45.100 0.016 0.000 0.670 445 G HN 0.443 nan 8.290 nan 0.000 0.496 446 C N 1.525 120.906 119.300 0.135 0.000 2.662 446 C HA 0.474 4.934 4.460 0.000 0.000 0.420 446 C C 1.796 176.828 174.990 0.071 0.000 1.314 446 C CA 0.585 59.688 59.018 0.140 0.000 1.963 446 C CB 0.032 27.874 27.740 0.170 0.000 2.686 446 C HN 0.501 nan 8.230 nan 0.000 0.609 447 D N 1.711 122.147 120.400 0.060 0.000 2.202 447 D HA 0.029 4.669 4.640 0.000 0.000 0.214 447 D C 0.298 176.641 176.300 0.072 0.000 0.967 447 D CA 1.288 55.320 54.000 0.053 0.000 0.871 447 D CB 0.125 40.950 40.800 0.041 0.000 1.020 447 D HN 0.427 nan 8.370 nan 0.000 0.474 448 V N 1.347 121.309 119.914 0.082 0.000 2.443 448 V HA 0.385 4.505 4.120 0.000 0.000 0.293 448 V C -1.700 174.436 176.094 0.069 0.000 1.021 448 V CA -0.677 61.678 62.300 0.092 0.000 0.848 448 V CB 1.391 33.288 31.823 0.124 0.000 0.998 448 V HN -0.103 nan 8.190 nan 0.000 0.424 449 N N 6.724 125.458 118.700 0.057 0.000 2.417 449 N HA 0.694 5.434 4.740 0.000 0.000 0.274 449 N C -1.097 174.407 175.510 -0.010 0.000 0.987 449 N CA -0.344 52.724 53.050 0.031 0.000 0.912 449 N CB 1.692 40.217 38.487 0.062 0.000 1.177 449 N HN 0.662 nan 8.380 nan 0.000 0.490 450 L N 1.159 122.348 121.223 -0.056 0.000 2.346 450 L HA 0.921 5.261 4.340 0.000 0.000 0.274 450 L C -0.293 176.531 176.870 -0.075 0.000 1.007 450 L CA -1.164 53.611 54.840 -0.109 0.000 0.818 450 L CB 1.810 43.757 42.059 -0.187 0.000 1.284 450 L HN 0.469 nan 8.230 nan 0.000 0.424 451 A N 1.357 124.154 122.820 -0.038 0.000 2.414 451 A HA 0.723 5.043 4.320 0.000 0.000 0.306 451 A C -1.683 175.985 177.584 0.140 0.000 1.054 451 A CA -0.466 51.563 52.037 -0.013 0.000 0.724 451 A CB 1.097 20.065 19.000 -0.054 0.000 1.267 451 A HN 0.562 nan 8.150 nan 0.000 0.418 452 W N 1.722 122.948 121.300 -0.124 0.000 2.215 452 W HA 0.462 5.122 4.660 0.000 0.000 0.342 452 W C -1.960 174.474 176.519 -0.142 0.000 1.237 452 W CA -1.811 55.462 57.345 -0.120 0.000 1.283 452 W CB 0.091 29.494 29.460 -0.095 0.000 1.131 452 W HN 0.507 nan 8.180 nan 0.000 0.606 453 P HA -0.146 nan 4.420 nan 0.000 0.221 453 P C 1.160 178.459 177.300 -0.002 0.000 1.145 453 P CA 2.198 65.284 63.100 -0.025 0.000 0.795 453 P CB 0.026 31.710 31.700 -0.028 0.000 0.775 454 T N -4.087 110.503 114.554 0.060 0.000 3.188 454 T HA 0.449 4.799 4.350 0.000 0.000 0.250 454 T C 0.795 175.524 174.700 0.049 0.000 1.077 454 T CA -0.382 61.754 62.100 0.059 0.000 0.967 454 T CB -0.616 68.300 68.868 0.080 0.000 1.006 454 T HN 0.007 nan 8.240 nan 0.000 0.552 455 A N 1.488 124.320 122.820 0.019 0.000 2.445 455 A HA 0.470 4.790 4.320 0.000 0.000 0.242 455 A C 0.176 177.742 177.584 -0.030 0.000 1.075 455 A CA -0.438 51.584 52.037 -0.024 0.000 0.777 455 A CB 0.201 19.165 19.000 -0.061 0.000 1.013 455 A HN 0.598 nan 8.150 nan 0.000 0.493 456 Q N 1.487 121.270 119.800 -0.028 0.000 2.616 456 Q HA 0.424 4.764 4.340 0.000 0.000 0.250 456 Q C -1.448 174.574 176.000 0.037 0.000 0.991 456 Q CA 0.137 55.962 55.803 0.035 0.000 0.707 456 Q CB 1.451 30.249 28.738 0.100 0.000 1.247 456 Q HN 0.707 nan 8.270 nan 0.000 0.491 457 I N 1.818 122.402 120.570 0.023 0.000 2.312 457 I HA 0.803 4.973 4.170 0.000 0.000 0.290 457 I C -0.095 176.051 176.117 0.049 0.000 1.008 457 I CA -0.467 60.827 61.300 -0.009 0.000 1.226 457 I CB 1.270 39.202 38.000 -0.113 0.000 1.371 457 I HN 0.553 nan 8.210 nan 0.000 0.468 458 A N 4.603 127.520 122.820 0.161 0.000 2.586 458 A HA 0.519 4.839 4.320 0.000 0.000 0.290 458 A C 0.400 178.053 177.584 0.116 0.000 1.086 458 A CA -0.554 51.552 52.037 0.115 0.000 0.665 458 A CB 0.703 19.784 19.000 0.135 0.000 1.279 458 A HN 0.324 nan 8.150 nan 0.000 0.423 459 V N 0.328 120.264 119.914 0.035 0.000 2.332 459 V HA -0.042 4.078 4.120 0.000 0.000 0.248 459 V C 1.075 177.141 176.094 -0.047 0.000 1.055 459 V CA 2.698 65.000 62.300 0.004 0.000 1.038 459 V CB -1.161 30.640 31.823 -0.038 0.000 0.651 459 V HN 0.966 nan 8.190 nan 0.000 0.450 460 M N -2.308 117.174 119.600 -0.197 0.000 2.949 460 M HA 0.648 5.128 4.480 0.000 0.000 0.270 460 M C -0.061 175.798 176.300 -0.735 0.000 1.221 460 M CA -0.426 54.601 55.300 -0.455 0.000 0.818 460 M CB 1.384 33.836 32.600 -0.246 0.000 1.635 460 M HN 0.024 nan 8.290 nan 0.000 0.492 461 G N 0.142 108.428 108.800 -0.857 0.000 2.630 461 G HA2 0.405 4.365 3.960 0.000 0.000 0.236 461 G HA3 0.405 4.365 3.960 0.000 0.000 0.236 461 G C 0.782 175.552 174.900 -0.216 0.000 1.248 461 G CA 0.023 44.794 45.100 -0.548 0.000 0.844 461 G HN 1.036 nan 8.290 nan 0.000 0.588 462 A N 0.981 123.777 122.820 -0.040 0.000 2.019 462 A HA -0.006 4.314 4.320 0.000 0.000 0.219 462 A C 2.646 180.193 177.584 -0.061 0.000 1.164 462 A CA 2.082 54.134 52.037 0.025 0.000 0.644 462 A CB -0.436 18.697 19.000 0.221 0.000 0.805 462 A HN 0.600 nan 8.150 nan 0.000 0.449 463 S N -0.144 115.536 115.700 -0.033 0.000 2.354 463 S HA -0.092 4.378 4.470 0.000 0.000 0.219 463 S C 2.053 176.629 174.600 -0.040 0.000 1.035 463 S CA 1.305 59.492 58.200 -0.021 0.000 1.037 463 S CB -0.871 62.326 63.200 -0.005 0.000 0.956 463 S HN 0.740 nan 8.310 nan 0.000 0.428 464 G N 0.625 109.402 108.800 -0.039 0.000 2.598 464 G HA2 0.200 4.160 3.960 0.000 0.000 0.215 464 G HA3 0.200 4.160 3.960 0.000 0.000 0.215 464 G C 1.348 176.286 174.900 0.065 0.000 1.131 464 G CA 0.729 45.845 45.100 0.026 0.000 0.785 464 G HN 0.543 nan 8.290 nan 0.000 0.539 465 A N 0.943 123.685 122.820 -0.131 0.000 1.854 465 A HA 0.060 4.380 4.320 0.000 0.000 0.214 465 A C 2.706 180.139 177.584 -0.252 0.000 1.192 465 A CA 2.096 53.950 52.037 -0.305 0.000 0.611 465 A CB -0.945 17.524 19.000 -0.884 0.000 0.832 465 A HN 0.832 nan 8.150 nan 0.000 0.442 466 V N -1.185 118.596 119.914 -0.222 0.000 2.439 466 V HA -0.177 3.943 4.120 0.000 0.000 0.253 466 V C 2.305 178.391 176.094 -0.013 0.000 1.074 466 V CA 2.268 64.560 62.300 -0.014 0.000 1.076 466 V CB -1.940 29.946 31.823 0.106 0.000 0.664 466 V HN 0.448 nan 8.190 nan 0.000 0.461 467 G N -0.471 108.287 108.800 -0.071 0.000 2.440 467 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 467 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 467 G C 1.273 175.989 174.900 -0.306 0.000 1.154 467 G CA 1.425 46.394 45.100 -0.218 0.000 0.767 467 G HN 0.598 nan 8.290 nan 0.000 0.552 468 F N -0.208 119.674 119.950 -0.115 0.000 2.222 468 F HA 0.158 4.685 4.527 0.000 0.000 0.285 468 F C 2.746 178.462 175.800 -0.140 0.000 1.068 468 F CA 0.275 58.210 58.000 -0.109 0.000 1.265 468 F CB -0.753 38.179 39.000 -0.114 0.000 1.087 468 F HN -0.078 nan 8.300 nan 0.000 0.511 469 V N -0.647 119.250 119.914 -0.028 0.000 2.219 469 V HA -0.323 3.797 4.120 0.000 0.000 0.248 469 V C 1.012 176.941 176.094 -0.274 0.000 1.053 469 V CA 1.778 63.924 62.300 -0.257 0.000 1.009 469 V CB -0.906 30.574 31.823 -0.572 0.000 0.636 469 V HN 0.318 nan 8.190 nan 0.000 0.445 470 Y N 0.341 120.638 120.300 -0.005 0.000 2.955 470 Y HA 0.320 4.870 4.550 0.000 0.000 0.386 470 Y C 1.583 177.470 175.900 -0.022 0.000 1.069 470 Y CA -0.593 57.505 58.100 -0.004 0.000 1.764 470 Y CB -0.735 37.720 38.460 -0.008 0.000 1.646 470 Y HN 0.097 nan 8.280 nan 0.000 0.486 471 R N 0.728 121.267 120.500 0.064 0.000 2.092 471 R HA -0.160 4.180 4.340 0.000 0.000 0.226 471 R C 2.020 178.338 176.300 0.031 0.000 1.140 471 R CA 1.948 58.057 56.100 0.015 0.000 0.910 471 R CB -0.413 29.882 30.300 -0.007 0.000 0.822 471 R HN 0.269 nan 8.270 nan 0.000 0.433 472 Q N 0.612 120.435 119.800 0.039 0.000 2.029 472 Q HA -0.287 4.053 4.340 0.000 0.000 0.209 472 Q C 2.102 178.126 176.000 0.040 0.000 0.999 472 Q CA 2.284 58.107 55.803 0.034 0.000 0.857 472 Q CB -0.652 28.108 28.738 0.038 0.000 0.926 472 Q HN 0.625 nan 8.270 nan 0.000 0.415 473 Q N -0.105 119.736 119.800 0.069 0.000 2.181 473 Q HA -0.166 4.174 4.340 0.000 0.000 0.205 473 Q C 1.823 177.839 176.000 0.027 0.000 0.980 473 Q CA 0.853 56.687 55.803 0.052 0.000 0.862 473 Q CB -0.017 28.766 28.738 0.075 0.000 0.905 473 Q HN 0.206 nan 8.270 nan 0.000 0.429 474 L N -0.417 120.828 121.223 0.037 0.000 2.554 474 L HA 0.087 4.427 4.340 0.000 0.000 0.226 474 L C 1.706 178.573 176.870 -0.004 0.000 1.137 474 L CA 1.060 55.906 54.840 0.010 0.000 0.863 474 L CB -0.054 42.015 42.059 0.016 0.000 0.985 474 L HN 0.220 nan 8.230 nan 0.000 0.451 475 A N -1.158 121.662 122.820 0.000 0.000 1.924 475 A HA -0.022 4.298 4.320 0.000 0.000 0.211 475 A C 2.055 179.636 177.584 -0.005 0.000 1.198 475 A CA 0.571 52.603 52.037 -0.007 0.000 0.657 475 A CB -0.237 18.760 19.000 -0.006 0.000 0.852 475 A HN 0.428 nan 8.150 nan 0.000 0.454 476 E N 0.298 120.498 120.200 0.000 0.000 2.204 476 E HA -0.104 4.246 4.350 0.000 0.000 0.195 476 E C 1.854 178.451 176.600 -0.005 0.000 0.990 476 E CA 0.952 57.352 56.400 -0.001 0.000 0.821 476 E CB -0.208 29.494 29.700 0.003 0.000 0.750 476 E HN 0.585 nan 8.360 nan 0.000 0.477 477 A N 0.887 123.703 122.820 -0.008 0.000 2.218 477 A HA 0.296 4.616 4.320 0.000 0.000 0.209 477 A C 2.176 179.752 177.584 -0.013 0.000 1.168 477 A CA 0.735 52.765 52.037 -0.012 0.000 0.804 477 A CB -0.008 18.982 19.000 -0.018 0.000 0.834 477 A HN 0.240 nan 8.150 nan 0.000 0.482 478 A N -0.220 122.592 122.820 -0.013 0.000 1.970 478 A HA 0.343 4.663 4.320 0.000 0.000 0.216 478 A C 2.283 179.860 177.584 -0.012 0.000 1.170 478 A CA 1.639 53.667 52.037 -0.015 0.000 0.645 478 A CB -0.501 18.489 19.000 -0.017 0.000 0.816 478 A HN 0.788 nan 8.150 nan 0.000 0.447 479 A N 0.042 122.856 122.820 -0.010 0.000 1.881 479 A HA 0.158 4.478 4.320 0.000 0.000 0.210 479 A C 1.491 179.070 177.584 -0.008 0.000 1.239 479 A CA 0.933 52.965 52.037 -0.009 0.000 0.629 479 A CB -0.503 18.492 19.000 -0.007 0.000 0.906 479 A HN 0.518 nan 8.150 nan 0.000 0.460 480 N N 0.388 119.083 118.700 -0.008 0.000 2.188 480 N HA 0.289 5.029 4.740 0.000 0.000 0.253 480 N C 0.933 176.438 175.510 -0.009 0.000 1.260 480 N CA 1.017 54.062 53.050 -0.007 0.000 0.915 480 N CB -0.636 37.846 38.487 -0.007 0.000 0.976 480 N HN 0.286 nan 8.380 nan 0.000 0.424 481 G N 0.830 109.624 108.800 -0.009 0.000 2.526 481 G HA2 0.017 3.977 3.960 0.000 0.000 0.293 481 G HA3 0.017 3.977 3.960 0.000 0.000 0.293 481 G C -0.094 174.798 174.900 -0.013 0.000 0.882 481 G CA -0.166 44.927 45.100 -0.011 0.000 1.656 481 G HN 0.452 nan 8.290 nan 0.000 0.474 482 E N 1.931 122.124 120.200 -0.012 0.000 2.354 482 E HA 0.199 4.549 4.350 0.000 0.000 0.269 482 E C -0.616 175.976 176.600 -0.015 0.000 1.036 482 E CA -0.430 55.962 56.400 -0.014 0.000 0.876 482 E CB 2.101 31.794 29.700 -0.013 0.000 1.009 482 E HN 0.314 nan 8.360 nan 0.000 0.416 483 D N 1.843 122.232 120.400 -0.017 0.000 2.559 483 D HA 0.014 4.654 4.640 0.000 0.000 0.431 483 D C 0.322 176.610 176.300 -0.019 0.000 1.221 483 D CA -0.269 53.721 54.000 -0.017 0.000 1.007 483 D CB 0.017 40.806 40.800 -0.018 0.000 1.539 483 D HN 0.578 nan 8.370 nan 0.000 0.407 484 I N 1.204 121.762 120.570 -0.021 0.000 3.581 484 I HA -0.005 4.165 4.170 0.000 0.000 0.304 484 I C 0.545 176.650 176.117 -0.020 0.000 1.244 484 I CA 1.587 62.873 61.300 -0.022 0.000 1.418 484 I CB -0.384 37.602 38.000 -0.023 0.000 1.503 484 I HN 0.214 nan 8.210 nan 0.000 0.571 485 D N 4.018 124.407 120.400 -0.019 0.000 4.057 485 D HA -0.163 4.477 4.640 0.000 0.000 0.373 485 D C 0.888 177.180 176.300 -0.012 0.000 0.400 485 D CA -0.070 53.921 54.000 -0.015 0.000 0.785 485 D CB -0.441 40.351 40.800 -0.013 0.000 1.546 485 D HN 0.581 nan 8.370 nan 0.000 0.160 486 K N 0.387 120.778 120.400 -0.015 0.000 2.335 486 K HA 0.198 4.518 4.320 0.000 0.000 0.195 486 K C 2.235 178.821 176.600 -0.023 0.000 1.058 486 K CA 0.099 56.377 56.287 -0.015 0.000 0.988 486 K CB 0.624 33.116 32.500 -0.014 0.000 0.880 486 K HN 0.070 nan 8.250 nan 0.000 0.513 487 L N 1.547 122.752 121.223 -0.029 0.000 2.068 487 L HA -0.004 4.336 4.340 0.000 0.000 0.204 487 L C 1.996 178.836 176.870 -0.050 0.000 1.076 487 L CA 1.485 56.298 54.840 -0.045 0.000 0.753 487 L CB -0.182 41.849 42.059 -0.046 0.000 0.910 487 L HN 0.005 nan 8.230 nan 0.000 0.439 488 R N -0.854 119.626 120.500 -0.033 0.000 2.096 488 R HA -0.151 4.189 4.340 0.000 0.000 0.235 488 R C 2.195 178.490 176.300 -0.008 0.000 1.127 488 R CA 1.548 57.636 56.100 -0.020 0.000 0.968 488 R CB -0.672 29.620 30.300 -0.013 0.000 0.861 488 R HN 0.280 nan 8.270 nan 0.000 0.440 489 L N 0.881 122.099 121.223 -0.008 0.000 2.201 489 L HA -0.119 4.221 4.340 0.000 0.000 0.212 489 L C 2.506 179.378 176.870 0.003 0.000 1.105 489 L CA 1.510 56.352 54.840 0.004 0.000 0.775 489 L CB -0.259 41.801 42.059 0.002 0.000 0.913 489 L HN 0.055 nan 8.230 nan 0.000 0.440 490 R N -0.926 119.564 120.500 -0.017 0.000 2.062 490 R HA -0.050 4.290 4.340 0.000 0.000 0.226 490 R C 2.247 178.526 176.300 -0.034 0.000 1.125 490 R CA 1.120 57.205 56.100 -0.025 0.000 0.966 490 R CB -0.216 30.057 30.300 -0.044 0.000 0.861 490 R HN 0.317 nan 8.270 nan 0.000 0.433 491 L N 0.870 122.043 121.223 -0.082 0.000 2.046 491 L HA -0.225 4.115 4.340 0.000 0.000 0.208 491 L C 2.852 179.773 176.870 0.085 0.000 1.077 491 L CA 1.644 56.397 54.840 -0.145 0.000 0.747 491 L CB -0.577 41.292 42.059 -0.316 0.000 0.896 491 L HN 0.392 nan 8.230 nan 0.000 0.432 492 Q N 0.037 119.891 119.800 0.090 0.000 2.061 492 Q HA -0.294 4.046 4.340 0.000 0.000 0.204 492 Q C 2.322 178.417 176.000 0.159 0.000 0.984 492 Q CA 1.857 57.742 55.803 0.137 0.000 0.846 492 Q CB -0.221 28.561 28.738 0.075 0.000 0.902 492 Q HN 0.422 nan 8.270 nan 0.000 0.421 493 Q N 0.103 119.961 119.800 0.097 0.000 2.170 493 Q HA -0.229 4.111 4.340 0.000 0.000 0.203 493 Q C 1.810 177.868 176.000 0.097 0.000 0.976 493 Q CA 1.543 57.397 55.803 0.084 0.000 0.858 493 Q CB -0.023 28.744 28.738 0.048 0.000 0.907 493 Q HN 0.507 nan 8.270 nan 0.000 0.433 494 E N -0.622 119.641 120.200 0.106 0.000 2.076 494 E HA -0.160 4.190 4.350 0.000 0.000 0.190 494 E C 1.749 178.452 176.600 0.172 0.000 0.979 494 E CA 0.608 57.071 56.400 0.106 0.000 0.807 494 E CB -0.229 29.509 29.700 0.064 0.000 0.761 494 E HN 0.432 nan 8.360 nan 0.000 0.454 495 Y N 1.676 122.062 120.300 0.143 0.000 2.163 495 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 495 Y C 2.299 178.251 175.900 0.088 0.000 1.136 495 Y CA 2.250 60.440 58.100 0.151 0.000 1.147 495 Y CB -0.078 38.495 38.460 0.189 0.000 0.987 495 Y HN 0.059 nan 8.280 nan 0.000 0.509 496 E N 0.314 120.651 120.200 0.229 0.000 2.153 496 E HA -0.196 4.154 4.350 0.000 0.000 0.194 496 E C 1.097 177.728 176.600 0.052 0.000 0.988 496 E CA 1.838 58.319 56.400 0.136 0.000 0.811 496 E CB -0.322 29.468 29.700 0.151 0.000 0.746 496 E HN 0.445 nan 8.360 nan 0.000 0.466 497 D N -1.281 119.148 120.400 0.048 0.000 2.328 497 D HA 0.040 4.680 4.640 0.000 0.000 0.226 497 D C 0.811 177.113 176.300 0.003 0.000 1.066 497 D CA 1.108 55.127 54.000 0.032 0.000 0.861 497 D CB 0.557 41.380 40.800 0.038 0.000 0.912 497 D HN 0.406 nan 8.370 nan 0.000 0.521 498 T N -3.500 111.026 114.554 -0.047 0.000 3.105 498 T HA 0.091 4.441 4.350 0.000 0.000 0.257 498 T C 1.401 176.026 174.700 -0.125 0.000 0.949 498 T CA -0.211 61.847 62.100 -0.070 0.000 0.959 498 T CB 0.376 69.207 68.868 -0.062 0.000 1.205 498 T HN -0.091 nan 8.240 nan 0.000 0.496 499 L N 1.185 122.247 121.223 -0.268 0.000 2.467 499 L HA 0.457 4.797 4.340 0.000 0.000 0.213 499 L C 0.807 177.575 176.870 -0.170 0.000 1.053 499 L CA 0.474 55.135 54.840 -0.297 0.000 0.847 499 L CB -0.513 41.173 42.059 -0.621 0.000 1.075 499 L HN 0.142 nan 8.230 nan 0.000 0.479 500 V N 3.978 123.812 119.914 -0.133 0.000 2.302 500 V HA 0.198 4.318 4.120 0.000 0.000 0.244 500 V C -0.045 176.067 176.094 0.029 0.000 1.160 500 V CA -0.054 62.254 62.300 0.012 0.000 1.127 500 V CB -1.389 30.494 31.823 0.098 0.000 1.253 500 V HN 0.686 nan 8.190 nan 0.000 0.496 501 N N 4.073 122.776 118.700 0.006 0.000 3.387 501 N HA 0.457 5.197 4.740 0.000 0.000 0.294 501 N C -2.812 172.627 175.510 -0.118 0.000 1.519 501 N CA -1.095 51.939 53.050 -0.026 0.000 0.875 501 N CB 1.217 39.749 38.487 0.074 0.000 1.657 501 N HN 0.028 nan 8.380 nan 0.000 0.527 502 P HA 0.189 nan 4.420 nan 0.000 0.275 502 P C 0.028 177.119 177.300 -0.348 0.000 1.310 502 P CA 0.411 63.312 63.100 -0.333 0.000 0.904 502 P CB 0.087 31.549 31.700 -0.396 0.000 1.381 503 Y N -0.326 119.957 120.300 -0.027 0.000 2.314 503 Y HA -0.075 4.475 4.550 0.000 0.000 0.294 503 Y C 2.574 178.436 175.900 -0.063 0.000 1.119 503 Y CA 0.484 58.561 58.100 -0.038 0.000 1.179 503 Y CB -1.013 37.426 38.460 -0.036 0.000 1.025 503 Y HN -0.290 nan 8.280 nan 0.000 0.541 504 V N 0.020 119.970 119.914 0.060 0.000 2.490 504 V HA -0.313 3.807 4.120 0.000 0.000 0.250 504 V C 2.401 178.432 176.094 -0.104 0.000 1.061 504 V CA 1.765 64.047 62.300 -0.029 0.000 1.064 504 V CB -1.133 30.657 31.823 -0.055 0.000 0.670 504 V HN 0.476 nan 8.190 nan 0.000 0.461 505 A N -0.132 122.631 122.820 -0.096 0.000 1.930 505 A HA 0.087 4.407 4.320 0.000 0.000 0.215 505 A C 2.392 179.911 177.584 -0.108 0.000 1.176 505 A CA 1.508 53.469 52.037 -0.126 0.000 0.632 505 A CB -0.571 18.420 19.000 -0.016 0.000 0.819 505 A HN 0.528 nan 8.150 nan 0.000 0.445 506 A N -0.025 122.772 122.820 -0.038 0.000 1.969 506 A HA -0.128 4.192 4.320 0.000 0.000 0.218 506 A C 1.786 179.361 177.584 -0.016 0.000 1.169 506 A CA 1.528 53.567 52.037 0.003 0.000 0.635 506 A CB -0.410 18.618 19.000 0.048 0.000 0.810 506 A HN 0.609 nan 8.150 nan 0.000 0.445 507 E N -1.038 119.136 120.200 -0.043 0.000 2.482 507 E HA -0.008 4.342 4.350 0.000 0.000 0.196 507 E C 1.649 178.171 176.600 -0.130 0.000 1.047 507 E CA 0.036 56.402 56.400 -0.057 0.000 0.869 507 E CB 0.112 29.787 29.700 -0.043 0.000 0.836 507 E HN 0.272 nan 8.360 nan 0.000 0.520 508 R N -0.833 119.512 120.500 -0.259 0.000 2.308 508 R HA 0.097 4.437 4.340 0.000 0.000 0.202 508 R C 1.174 177.317 176.300 -0.262 0.000 0.898 508 R CA 0.754 56.587 56.100 -0.445 0.000 1.046 508 R CB 0.988 30.601 30.300 -1.145 0.000 1.026 508 R HN 0.286 nan 8.270 nan 0.000 0.512 509 G N 0.406 109.147 108.800 -0.097 0.000 2.176 509 G HA2 -0.299 3.661 3.960 0.000 0.000 0.253 509 G HA3 -0.299 3.661 3.960 0.000 0.000 0.253 509 G C 0.564 175.604 174.900 0.234 0.000 0.979 509 G CA 0.222 45.365 45.100 0.073 0.000 0.641 509 G HN 0.244 nan 8.290 nan 0.000 0.530 510 Y N -0.005 120.331 120.300 0.060 0.000 2.333 510 Y HA 0.234 4.784 4.550 0.000 0.000 0.290 510 Y C 1.674 177.624 175.900 0.085 0.000 1.144 510 Y CA 0.593 58.751 58.100 0.095 0.000 1.228 510 Y CB -0.161 38.368 38.460 0.114 0.000 0.985 510 Y HN 0.220 nan 8.280 nan 0.000 0.542 511 V N 1.156 121.190 119.914 0.200 0.000 2.376 511 V HA 0.160 4.280 4.120 0.000 0.000 0.287 511 V C 0.493 176.635 176.094 0.080 0.000 1.015 511 V CA -1.105 61.262 62.300 0.111 0.000 0.834 511 V CB 1.715 33.572 31.823 0.057 0.000 1.001 511 V HN 0.034 nan 8.190 nan 0.000 0.428 512 D N 3.468 123.914 120.400 0.076 0.000 2.221 512 D HA 0.016 4.656 4.640 0.000 0.000 0.204 512 D C 0.750 177.094 176.300 0.073 0.000 0.982 512 D CA 1.805 55.854 54.000 0.081 0.000 0.857 512 D CB 0.468 41.322 40.800 0.090 0.000 0.934 512 D HN 0.796 nan 8.370 nan 0.000 0.475 513 A N -0.760 122.080 122.820 0.033 0.000 2.596 513 A HA 0.351 4.671 4.320 0.000 0.000 0.305 513 A C -1.183 176.386 177.584 -0.024 0.000 1.032 513 A CA -0.702 51.355 52.037 0.032 0.000 0.776 513 A CB 0.803 19.855 19.000 0.086 0.000 1.253 513 A HN -0.134 nan 8.150 nan 0.000 0.402 514 V N 3.251 123.168 119.914 0.004 0.000 2.408 514 V HA 0.545 4.665 4.120 0.000 0.000 0.267 514 V C 0.250 176.332 176.094 -0.019 0.000 1.047 514 V CA 0.324 62.609 62.300 -0.026 0.000 0.937 514 V CB 0.290 32.086 31.823 -0.045 0.000 0.999 514 V HN 0.932 nan 8.190 nan 0.000 0.472 515 I N 3.651 124.196 120.570 -0.042 0.000 2.892 515 I HA 0.791 4.961 4.170 0.000 0.000 0.306 515 I C -2.793 173.229 176.117 -0.159 0.000 1.078 515 I CA -2.981 58.269 61.300 -0.084 0.000 1.032 515 I CB 2.355 40.307 38.000 -0.080 0.000 1.229 515 I HN 0.318 nan 8.210 nan 0.000 0.435 516 P HA 0.250 nan 4.420 nan 0.000 0.271 516 P C -2.302 174.708 177.300 -0.483 0.000 1.216 516 P CA -1.417 61.413 63.100 -0.450 0.000 0.776 516 P CB -0.035 31.334 31.700 -0.551 0.000 0.881 517 P HA -0.226 nan 4.420 nan 0.000 0.216 517 P C 1.593 178.662 177.300 -0.385 0.000 1.153 517 P CA 1.954 64.231 63.100 -1.372 0.000 0.858 517 P CB -0.476 30.055 31.700 -1.948 0.000 0.789 518 S N -1.450 114.119 115.700 -0.218 0.000 2.383 518 S HA -0.244 4.226 4.470 0.000 0.000 0.229 518 S C 1.795 176.502 174.600 0.179 0.000 1.030 518 S CA 1.400 59.611 58.200 0.018 0.000 1.002 518 S CB -1.758 61.482 63.200 0.066 0.000 0.829 518 S HN 0.194 nan 8.310 nan 0.000 0.467 519 H N 1.963 121.036 119.070 0.004 0.000 2.491 519 H HA 0.097 4.653 4.556 0.000 0.000 0.290 519 H C 2.283 177.734 175.328 0.206 0.000 1.050 519 H CA 1.214 57.334 56.048 0.120 0.000 1.309 519 H CB -1.218 28.644 29.762 0.167 0.000 1.392 519 H HN 0.450 nan 8.280 nan 0.000 0.554 520 T N 0.394 115.140 114.554 0.319 0.000 2.592 520 T HA -0.308 4.042 4.350 0.000 0.000 0.267 520 T C 2.086 176.944 174.700 0.264 0.000 1.060 520 T CA 1.955 64.254 62.100 0.332 0.000 1.167 520 T CB -0.140 68.996 68.868 0.446 0.000 0.863 520 T HN 0.400 nan 8.240 nan 0.000 0.431 521 R N 0.643 121.264 120.500 0.201 0.000 2.097 521 R HA -0.114 4.226 4.340 0.000 0.000 0.236 521 R C 2.771 179.153 176.300 0.136 0.000 1.135 521 R CA 1.942 58.131 56.100 0.149 0.000 0.934 521 R CB -0.886 29.480 30.300 0.111 0.000 0.846 521 R HN 0.474 nan 8.270 nan 0.000 0.431 522 G N -0.971 107.896 108.800 0.112 0.000 2.443 522 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 522 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 522 G C 1.154 176.105 174.900 0.085 0.000 1.131 522 G CA 0.489 45.627 45.100 0.064 0.000 0.775 522 G HN 0.394 nan 8.290 nan 0.000 0.547 523 Y N 0.777 121.116 120.300 0.065 0.000 2.220 523 Y HA 0.101 4.651 4.550 0.000 0.000 0.291 523 Y C 2.629 178.575 175.900 0.076 0.000 1.129 523 Y CA 0.750 58.898 58.100 0.081 0.000 1.161 523 Y CB -0.029 38.505 38.460 0.124 0.000 0.997 523 Y HN 0.141 nan 8.280 nan 0.000 0.522 524 I N -0.966 119.775 120.570 0.285 0.000 2.286 524 I HA -0.268 3.902 4.170 0.000 0.000 0.248 524 I C 2.542 178.741 176.117 0.135 0.000 1.115 524 I CA 1.403 62.819 61.300 0.194 0.000 1.392 524 I CB -0.825 37.265 38.000 0.150 0.000 1.065 524 I HN 0.294 nan 8.210 nan 0.000 0.418 525 G N 0.047 108.912 108.800 0.109 0.000 2.402 525 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 525 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 525 G C 1.645 176.575 174.900 0.050 0.000 1.162 525 G CA 1.277 46.420 45.100 0.073 0.000 0.777 525 G HN 0.263 nan 8.290 nan 0.000 0.539 526 T N 1.686 116.256 114.554 0.026 0.000 2.708 526 T HA -0.022 4.328 4.350 0.000 0.000 0.266 526 T C 2.836 177.552 174.700 0.026 0.000 1.037 526 T CA 1.654 63.745 62.100 -0.015 0.000 1.146 526 T CB -0.423 68.370 68.868 -0.126 0.000 0.865 526 T HN 0.366 nan 8.240 nan 0.000 0.435 527 A N 1.243 124.111 122.820 0.079 0.000 1.877 527 A HA -0.012 4.308 4.320 0.000 0.000 0.216 527 A C 2.333 179.961 177.584 0.074 0.000 1.186 527 A CA 1.291 53.388 52.037 0.100 0.000 0.620 527 A CB -0.954 18.140 19.000 0.156 0.000 0.822 527 A HN 0.474 nan 8.150 nan 0.000 0.443 528 L N -0.963 120.305 121.223 0.075 0.000 2.042 528 L HA -0.247 4.093 4.340 0.000 0.000 0.210 528 L C 2.860 179.758 176.870 0.047 0.000 1.076 528 L CA 1.810 56.688 54.840 0.063 0.000 0.749 528 L CB -0.494 41.606 42.059 0.069 0.000 0.893 528 L HN 0.377 nan 8.230 nan 0.000 0.432 529 R N -0.575 119.949 120.500 0.041 0.000 2.148 529 R HA -0.128 4.212 4.340 0.000 0.000 0.223 529 R C 2.165 178.480 176.300 0.025 0.000 1.088 529 R CA 0.875 56.992 56.100 0.029 0.000 0.985 529 R CB -0.345 29.968 30.300 0.022 0.000 0.880 529 R HN 0.216 nan 8.270 nan 0.000 0.451 530 L N 0.530 121.770 121.223 0.029 0.000 2.072 530 L HA -0.067 4.273 4.340 0.000 0.000 0.205 530 L C 1.383 178.269 176.870 0.028 0.000 1.079 530 L CA 1.647 56.503 54.840 0.026 0.000 0.752 530 L CB -0.052 42.026 42.059 0.032 0.000 0.906 530 L HN 0.055 nan 8.230 nan 0.000 0.436 531 L N -0.202 121.040 121.223 0.033 0.000 2.591 531 L HA 0.066 4.406 4.340 0.000 0.000 0.228 531 L C 2.129 179.012 176.870 0.021 0.000 1.133 531 L CA 0.726 55.582 54.840 0.027 0.000 0.880 531 L CB -1.423 40.655 42.059 0.031 0.000 1.033 531 L HN 0.459 nan 8.230 nan 0.000 0.450 532 E N 1.496 121.709 120.200 0.023 0.000 2.136 532 E HA -0.227 4.123 4.350 0.000 0.000 0.202 532 E C 1.107 177.715 176.600 0.014 0.000 1.019 532 E CA 1.267 57.679 56.400 0.020 0.000 0.819 532 E CB 0.240 29.952 29.700 0.020 0.000 0.739 532 E HN 0.380 nan 8.360 nan 0.000 0.458 533 R N 1.121 121.627 120.500 0.011 0.000 3.130 533 R HA 0.222 4.562 4.340 0.000 0.000 0.348 533 R C -0.493 175.810 176.300 0.004 0.000 1.241 533 R CA -0.303 55.801 56.100 0.007 0.000 1.141 533 R CB -0.231 30.073 30.300 0.007 0.000 1.453 533 R HN -0.084 nan 8.270 nan 0.000 0.590 534 K N 1.483 121.885 120.400 0.003 0.000 2.414 534 K HA 0.090 4.410 4.320 0.000 0.000 0.272 534 K C -0.502 176.094 176.600 -0.007 0.000 0.993 534 K CA -0.087 56.199 56.287 -0.002 0.000 0.964 534 K CB 0.585 33.082 32.500 -0.005 0.000 0.925 534 K HN 0.182 nan 8.250 nan 0.000 0.487 535 I N 3.176 123.741 120.570 -0.009 0.000 2.382 535 I HA 0.431 4.601 4.170 0.000 0.000 0.285 535 I C -0.382 175.724 176.117 -0.019 0.000 1.007 535 I CA -0.377 60.916 61.300 -0.012 0.000 1.142 535 I CB 0.500 38.495 38.000 -0.008 0.000 1.289 535 I HN 0.744 nan 8.210 nan 0.000 0.453 536 A N 7.036 129.840 122.820 -0.026 0.000 2.594 536 A HA 0.802 5.122 4.320 0.000 0.000 0.296 536 A C -1.382 176.179 177.584 -0.039 0.000 1.061 536 A CA -0.595 51.421 52.037 -0.035 0.000 0.689 536 A CB 2.040 21.012 19.000 -0.046 0.000 1.280 536 A HN 0.678 nan 8.150 nan 0.000 0.406 537 Q N 1.749 121.524 119.800 -0.041 0.000 2.429 537 Q HA 0.514 4.854 4.340 0.000 0.000 0.247 537 Q C -1.634 174.340 176.000 -0.043 0.000 0.915 537 Q CA -0.937 54.841 55.803 -0.041 0.000 0.971 537 Q CB 0.879 29.599 28.738 -0.031 0.000 1.468 537 Q HN 0.518 nan 8.270 nan 0.000 0.439 538 L N 2.993 124.186 121.223 -0.050 0.000 2.516 538 L HA 0.174 4.514 4.340 0.000 0.000 0.288 538 L C -1.821 175.028 176.870 -0.036 0.000 1.246 538 L CA -0.120 54.690 54.840 -0.050 0.000 0.844 538 L CB -0.335 41.693 42.059 -0.052 0.000 1.106 538 L HN 0.585 nan 8.230 nan 0.000 0.509 539 P HA 0.072 nan 4.420 nan 0.000 0.269 539 P C -2.473 174.813 177.300 -0.023 0.000 1.217 539 P CA -0.772 62.312 63.100 -0.027 0.000 0.783 539 P CB -0.315 31.369 31.700 -0.026 0.000 0.898 540 P HA 0.056 nan 4.420 nan 0.000 0.261 540 P C -0.708 176.576 177.300 -0.027 0.000 1.203 540 P CA 0.508 63.596 63.100 -0.021 0.000 0.767 540 P CB 0.108 31.797 31.700 -0.019 0.000 0.785 541 K N 1.460 121.842 120.400 -0.031 0.000 2.625 541 K HA 0.293 4.613 4.320 0.000 0.000 0.284 541 K C 0.216 176.783 176.600 -0.055 0.000 0.984 541 K CA -1.113 55.142 56.287 -0.052 0.000 0.865 541 K CB 1.001 33.467 32.500 -0.056 0.000 1.468 541 K HN -0.135 nan 8.250 nan 0.000 0.407 542 K N 0.049 120.382 120.400 -0.112 0.000 2.057 542 K HA -0.098 4.221 4.320 0.000 0.000 0.206 542 K C 0.012 176.601 176.600 -0.018 0.000 1.050 542 K CA 2.079 58.308 56.287 -0.096 0.000 0.935 542 K CB -0.350 32.041 32.500 -0.182 0.000 0.715 542 K HN 0.853 nan 8.250 nan 0.000 0.439 543 H N -4.378 114.700 119.070 0.012 0.000 2.901 543 H HA 0.349 4.905 4.556 0.000 0.000 0.267 543 H C -0.319 175.038 175.328 0.049 0.000 1.434 543 H CA -0.610 55.453 56.048 0.025 0.000 1.215 543 H CB 0.158 29.928 29.762 0.012 0.000 1.825 543 H HN 0.043 nan 8.280 nan 0.000 0.470 544 G N -0.758 108.223 108.800 0.302 0.000 2.535 544 G HA2 0.314 4.274 3.960 0.000 0.000 0.282 544 G HA3 0.314 4.274 3.960 0.000 0.000 0.282 544 G C -0.432 174.622 174.900 0.258 0.000 1.350 544 G CA -0.426 44.853 45.100 0.299 0.000 1.039 544 G HN 0.753 nan 8.290 nan 0.000 0.509 545 N N -0.732 118.043 118.700 0.125 0.000 2.642 545 N HA 0.132 4.872 4.740 0.000 0.000 0.308 545 N C -0.245 175.132 175.510 -0.221 0.000 1.914 545 N CA -0.498 52.552 53.050 -0.000 0.000 0.893 545 N CB 0.664 39.174 38.487 0.038 0.000 1.322 545 N HN 0.320 nan 8.380 nan 0.000 0.490 546 V N 1.764 121.320 119.914 -0.596 0.000 2.814 546 V HA 0.187 4.307 4.120 0.000 0.000 0.307 546 V C -1.970 173.878 176.094 -0.410 0.000 1.089 546 V CA -0.826 60.868 62.300 -1.011 0.000 1.212 546 V CB 0.331 31.462 31.823 -1.153 0.000 0.912 546 V HN 0.355 nan 8.190 nan 0.000 0.497 547 P HA 0.199 nan 4.420 nan 0.000 0.267 547 P C -0.737 176.493 177.300 -0.118 0.000 1.209 547 P CA -0.093 62.925 63.100 -0.135 0.000 0.763 547 P CB 0.482 32.137 31.700 -0.075 0.000 0.816 548 L N 0.000 121.169 121.223 -0.091 0.000 2.949 548 L HA 0.000 4.340 4.340 0.000 0.000 0.249 548 L CA 0.000 54.797 54.840 -0.072 0.000 0.813 548 L CB 0.000 42.013 42.059 -0.076 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502